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PD-183805 

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EGFR, HER2

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Free Base

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http://www.selleckchem.com/products/CI-1033(Canertinib).html

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267243-28-7

$$$$
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Immunology & Inflammation related

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Complex

>  <URL> (2)
http://www.selleckchem.com/products/corm-3.html

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475473-26-8

$$$$
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>  <Mol_ID> (3)
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Tandutinib (MLN518)

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S1043

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CT53518

>  <Target> (3)
Flt

>  <Form> (3)
Free Base

>  <URL> (3)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

>  <CAS Number> (3)
387867-13-2

$$$$
untitled.cdx
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4

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N/A

>  <Target> (4)
VEGFR

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

>  <CAS Number> (4)
443913-73-3

$$$$
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489415-96-5

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c-Met 

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1022150-57-7

$$$$
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csChFnd80/10101813242D

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122111-03-9

$$$$
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M  END
>  <Mol_ID> (9)
9

>  <Formula> (9)
C16H15BrClN5O4S

>  <MolWeight> (9)
488.7434

>  <Item Name> (9)
PIK-75 

>  <Catalog Number> (9)
S1205

>  <Synonyms> (9)
N/A

>  <Target> (9)
PI3K, DNA-PK

>  <Form> (9)
Hydrochloride

>  <URL> (9)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

>  <CAS Number> (9)
372196-77-5

$$$$
Imiquimod.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (10)
10

>  <Formula> (10)
C14H16N4

>  <MolWeight> (10)
240.30364

>  <Item Name> (10)
Imiquimod

>  <Catalog Number> (10)
S1211

>  <Synonyms> (10)
Aldara

>  <Target> (10)
Immunology & Inflammation related

>  <Form> (10)
Free Base

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

>  <CAS Number> (10)
99011-02-6

$$$$
Bleomycin sulfate.cdx
csChFnd80/10101813242D

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 25 23  1  6  0  0  0
M  END
>  <Mol_ID> (11)
11

>  <Formula> (11)
C55H85N17O25S4

>  <MolWeight> (11)
1512.6223

>  <Item Name> (11)
Bleomycin sulfate

>  <Catalog Number> (11)
S1214

>  <Synonyms> (11)
Blenoxane

>  <Target> (11)
DNA/RNA Synthesis

>  <Form> (11)
Sulfate

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

>  <CAS Number> (11)
9041-93-4

$$$$
Carboplatin.cdx
csChFnd80/10101813242D

 13 10  0  0  0  0  0  0  0  0999 V2000
    3.2875    2.4207    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    3.9875    1.2082    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3875    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    3.6331    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (12)
12

>  <Formula> (12)
C6H12N2O4Pt

>  <MolWeight> (12)
371.24848

>  <Item Name> (12)
Carboplatin

>  <Catalog Number> (12)
S1215

>  <Synonyms> (12)
Paraplatin

>  <Target> (12)
DNA/RNA Synthesis

>  <Form> (12)
Free Base

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

>  <CAS Number> (12)
41575-94-4

$$$$
Eloxatin (Oxaliplatin).cdx
csChFnd80/10101813242D

 15 13  0  0  0  0  0  0  0  0999 V2000
    7.6418    1.5200    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
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    8.4646    2.6527    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9248    3.0401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  3  7  2  0  0  0  0
  8  9  1  0  0  0  0
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 11 14  1  6  0  0  0
 12 15  1  1  0  0  0
M  END
>  <Mol_ID> (13)
13

>  <Formula> (13)
C8H14N2O4Pt

>  <MolWeight> (13)
397.28576

>  <Item Name> (13)
Oxaliplatin (Eloxatin)

>  <Catalog Number> (13)
S1224

>  <Synonyms> (13)
Eloxatin

>  <Target> (13)
DNA/RNA Synthesis 

>  <Form> (13)
Free Base

>  <URL> (13)
http://www.selleckchem.com/products/Eloxatin.html

>  <CAS Number> (13)
61825-94-3

$$$$
S1037.cdx
csChFnd80/10101813242D

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   20.6114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 20  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C25H52NO4P

>  <MolWeight> (14)
461.658441

>  <Item Name> (14)
Perifosine (KRX-0401)

>  <Catalog Number> (14)
S1037

>  <Synonyms> (14)
NSC639966

>  <Target> (14)
Akt

>  <Form> (14)
Free Base

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

>  <CAS Number> (14)
157716-52-4

$$$$
Camptothecine.cdx
csChFnd80/10101813242D

 26 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5832    0.0000 C   0  0  1  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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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
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 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C20H16N2O4

>  <MolWeight> (15)
348.35204

>  <Item Name> (15)
Camptothecin

>  <Catalog Number> (15)
S1288

>  <Synonyms> (15)
N/A

>  <Target> (15)
Topoisomerase

>  <Form> (15)
Free Base

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

>  <CAS Number> (15)
7689-03-4

$$$$
Oxibendazole.cdx
csChFnd80/10101813242D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8329    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C12H15N3O3

>  <MolWeight> (16)
249.2658

>  <Item Name> (16)
Oxibendazole

>  <Catalog Number> (16)
S1851

>  <Synonyms> (16)
N/A

>  <Target> (16)
Others

>  <Form> (16)
Free Base

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

>  <CAS Number> (16)
20559-55-1

$$$$
D-glutamine.cdx
csChFnd80/10101813242D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6  8  1  0  0  0  0
  2  9  2  0  0  0  0
  5 10  1  6  0  0  0
M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C5H10N2O3

>  <MolWeight> (17)
146.1445

>  <Item Name> (17)
D-glutamine

>  <Catalog Number> (17)
S1893

>  <Synonyms> (17)
N/A

>  <Target> (17)
GluR

>  <Form> (17)
Free Base

>  <URL> (17)
http://www.selleckchem.com/products/D-glutamine.html

>  <CAS Number> (17)
5959-95-5

$$$$
Irsogladine.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C9H7Cl2N5

>  <MolWeight> (18)
256.09138

>  <Item Name> (18)
Irsogladine

>  <Catalog Number> (18)
S1929

>  <Synonyms> (18)
N/A

>  <Target> (18)
AChR,PDE

>  <Form> (18)
Free Base

>  <URL> (18)
http://www.selleckchem.com/products/Irsogladine-maleate.html

>  <CAS Number> (18)
57381-26-7

$$$$
Danofloxacin mesylate.cdx
csChFnd80/10101813242D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 18 23  1  0  0  0  0
 18 27  1  1  0  0  0
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 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
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 29 32  2  0  0  0  0
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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C20H24FN3O6S

>  <MolWeight> (19)
453.4844632

>  <Item Name> (19)
Danofloxacin Mesylate

>  <Catalog Number> (19)
S3058

>  <Synonyms> (19)
N/A

>  <Target> (19)
Antifection

>  <Form> (19)
Mesylate

>  <URL> (19)
http://www.selleckchem.com/products/danofloxacin-mesylate.html

>  <CAS Number> (19)
119478-55-6

$$$$
Pamidronate Disodium.cdx
csChFnd80/10101813242D

 15 12  0  0  0  0  0  0  0  0999 V2000
    3.7772    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0726    0.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7772    4.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2886    2.1874    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.8886    2.1874    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  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  2  0  0  0  0
M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C3H9NNa2O7P2

>  <MolWeight> (20)
279.033122

>  <Item Name> (20)
Pamidronate Disodium

>  <Catalog Number> (20)
S1311

>  <Synonyms> (20)
Aredia

>  <Target> (20)
Others

>  <Form> (20)
Disodium salt

>  <URL> (20)
http://www.selleckchem.com/products/Pamidronate-Disodium.html

>  <CAS Number> (20)
57248-88-1

$$$$
Ellagic acid.cdx
csChFnd80/10101813242D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C14H6O8

>  <MolWeight> (21)
302.19264

>  <Item Name> (21)
Ellagic acid

>  <Catalog Number> (21)
S1327

>  <Synonyms> (21)
N/A

>  <Target> (21)
Topoisomerases

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/Ellagic-acid.html

>  <CAS Number> (21)
476-66-4

$$$$
Gabapentin hcl.cdx
csChFnd80/10101813242D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C9H18ClNO2

>  <MolWeight> (22)
207.69772

>  <Item Name> (22)
Gabapentin Hydrochloride

>  <Catalog Number> (22)
S1338

>  <Synonyms> (22)
Gabarone, Neurontin

>  <Target> (22)
GABA Receptor

>  <Form> (22)
Hydrochloride

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

>  <CAS Number> (22)
60142-95-2

$$$$
Galanthamine hydrobromide.cdx
csChFnd80/10101813242D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  7 18  1  6  0  0  0
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 17 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C17H22BrNO3

>  <MolWeight> (23)
368.26548

>  <Item Name> (23)
Galanthamine hydrobromide

>  <Catalog Number> (23)
S1339

>  <Synonyms> (23)
Reminyl

>  <Target> (23)
AChR
mAChRs

>  <Form> (23)
Hydrobromide

>  <URL> (23)
http://www.selleckchem.com/products/Galanthamine-hydrobromide.html

>  <CAS Number> (23)
1953-04-4

$$$$
Granisetron Hydrochloride.cdx
csChFnd80/10101813242D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.9899    4.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    5.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    6.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3623    7.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6854    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 17 23  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C18H25ClN4O

>  <MolWeight> (24)
348.8703

>  <Item Name> (24)
Granisetron HCl

>  <Catalog Number> (24)
S1345

>  <Synonyms> (24)
Kytril

>  <Target> (24)
5-HT Receptor

>  <Form> (24)
Hydrochloride

>  <URL> (24)
http://www.selleckchem.com/products/Granisetron-Hydrochloride.html

>  <CAS Number> (24)
107007-99-8

$$$$
Ketoconazole.cdx
csChFnd80/10101813242D

 36 40  0  0  0  0  0  0  0  0999 V2000
    5.3005   11.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9382    9.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9281    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    9.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6428   10.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6528   11.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3140   12.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764   13.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
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 28 24  1  0  0  0  0
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 34 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C26H28Cl2N4O4

>  <MolWeight> (25)
531.43092

>  <Item Name> (25)
Ketoconazole

>  <Catalog Number> (25)
S1353

>  <Synonyms> (25)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (25)
P450

>  <Form> (25)
Free Base

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

>  <CAS Number> (25)
65277-42-1

$$$$
bms-707035.cdx
csChFnd80/10101813242D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C18H11N3O2S

>  <MolWeight> (26)
333.36384

>  <Item Name> (26)
GSK1059615

>  <Catalog Number> (26)
S1360

>  <Synonyms> (26)
N/A

>  <Target> (26)
PI3K, mTOR

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/GSK1059615.html

>  <CAS Number> (26)
958852-01-2

$$$$
Cefoselis sulfate.cdx
csChFnd80/10101813242D

 41 43  0  0  0  0  0  0  0  0999 V2000
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 37 41  2  0  0  0  0
M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C19H24N8O10S3

>  <MolWeight> (27)
620.63646

>  <Item Name> (27)
Cefoselis sulfate

>  <Catalog Number> (27)
S1371

>  <Synonyms> (27)
N/A

>  <Target> (27)
Others

>  <Form> (27)
Sulfate

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

>  <CAS Number> (27)
122841-12-7

$$$$
Dorzolamide HCL.cdx
csChFnd80/10101813242D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9646    1.4798    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    3.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.4076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    2.6124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5826    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4106    0.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5570    2.4534    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  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  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
  2 17  1  1  0  0  0
  3 18  2  0  0  0  0
  3 19  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C10H17ClN2O4S3

>  <MolWeight> (28)
360.90098

>  <Item Name> (28)
Dorzolamide HCL

>  <Catalog Number> (28)
S1375

>  <Synonyms> (28)
Trusopt, Cosopt

>  <Target> (28)
Carbonic Anhydrase

>  <Form> (28)
Hydrochloride

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

>  <CAS Number> (28)
130693-82-2

$$$$
Mizoribine.cdx
csChFnd80/10101813242D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.1414    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7891    3.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0266    2.4356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9077    1.3476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2147    1.8493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2256    4.1254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334    2.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3847    1.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5779    3.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3404    4.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4594    6.0252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1524    5.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0779    2.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7337    5.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3670    6.2533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4935    3.8401    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  1  1  0  0  0  0
  1  6  1  1  0  0  0
  3  7  1  1  0  0  0
  7  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  6  0  0  0
  6 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  6  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C9H13N3O6

>  <MolWeight> (29)
259.21602

>  <Item Name> (29)
Mizoribine (Bredinin)

>  <Catalog Number> (29)
S1384

>  <Synonyms> (29)
HE 69

>  <Target> (29)
DNA/RNA Synthesis

>  <Form> (29)
Free Base

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

>  <CAS Number> (29)
50924-49-7

$$$$
S3003 Dinoprostone.cdx
csChFnd80/10101813242D

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.2233    4.3749    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0800    3.0487    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9574    4.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4357    5.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6747    2.7440    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0700    2.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6968    6.3530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6565    4.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0887    1.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4149    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8647    5.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4049    1.3523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8647    6.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7572    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0425    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0782    7.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7471    0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0782    8.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0994    1.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2909    9.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0894    0.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5035    8.5652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2909   10.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4416    0.4594    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  6  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  6  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  2  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
 13 16  1  6  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  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
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C20H32O5

>  <MolWeight> (30)
352.46508

>  <Item Name> (30)
Dinoprostone

>  <Catalog Number> (30)
S3003

>  <Form> (30)
free base

>  <CAS Number> (30)
363-24-6

$$$$
Risedronate sodium.cdx
csChFnd80/10101813242D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.6046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7046    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    3.4022    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.5413    1.4922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4790    1.3523    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0395    4.3921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4496    3.4022    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.1496    4.6146    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.2665    0.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1166    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1790    0.1399    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
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C7H10NNaO7P2

>  <MolWeight> (31)
305.094092

>  <Item Name> (31)
Risedronate sodium

>  <Catalog Number> (31)
S1428

>  <Synonyms> (31)
Actonel

>  <Target> (31)
Others

>  <Form> (31)
Sodium salt

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

>  <CAS Number> (31)
115436-72-1

$$$$
Varenicline tartrate.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.9597    2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    3.1637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7515    3.1612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9597    1.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3804    2.4661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5886    3.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7968    2.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    4.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3804    1.0709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5886    4.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875    1.5303    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3846    1.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9829    2.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2659    2.8430    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6875    4.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5515    2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9952    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3055    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1859    3.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7906    3.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923    2.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9894    0.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935    4.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    4.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970    1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  6  0  0  0
  5  9  1  6  0  0  0
  6 10  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
 11 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 13 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
 20 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 21  1  0  0  0  0
M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C17H19N3O6

>  <MolWeight> (32)
361.34926

>  <Item Name> (32)
Varenicline tartrate

>  <Catalog Number> (32)
S1440

>  <Synonyms> (32)
Chantix, Champix

>  <Target> (32)
AChR

>  <Form> (32)
Tartrate

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

>  <CAS Number> (32)
375815-87-5

$$$$
Marbofloxacin.cdx
csChFnd80/10101813242D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.1743    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1743    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3868    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5992    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5992    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3868    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8116    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0241    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0241    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8116    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9661    4.8903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9661    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3868    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8116    0.6976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6034    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0199    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (33)
33

>  <Formula> (33)
C17H19FN4O4

>  <MolWeight> (33)
362.3555632

>  <Item Name> (33)
Marbofloxacin

>  <Catalog Number> (33)
S1464

>  <Synonyms> (33)
Marbocyl, Zeniquin

>  <Target> (33)
Topoisomerase

>  <Form> (33)
Free Base

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

>  <CAS Number> (33)
115550-35-1

$$$$
LY2228820.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C26H37FN6O6S2

>  <MolWeight> (34)
612.7369832

>  <Item Name> (34)
LY2228820

>  <Catalog Number> (34)
S1494

>  <Synonyms> (34)
N/A

>  <Target> (34)
p38 MAPK

>  <Form> (34)
Dimesylate

>  <URL> (34)
http://www.selleckchem.com/products/LY2228820.html

>  <CAS Number> (34)
862507-23-1

$$$$
ACEON (perindopril erbumine).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (35)
35

>  <Formula> (35)
C23H43N3O5

>  <MolWeight> (35)
441.60462

>  <Item Name> (35)
Perindopril Erbumine (Aceon)

>  <Catalog Number> (35)
S1506

>  <Synonyms> (35)
Perindopril, Coversyl

>  <Target> (35)
RAAS

>  <Form> (35)
t-Butylamine

>  <URL> (35)
http://www.selleckchem.com/products/Perindopril-Erbumine(Aceon).html

>  <CAS Number> (35)
107133-36-8

$$$$
IRBESARTAN (irbesartan).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (36)
36

>  <Formula> (36)
C25H28N6O

>  <MolWeight> (36)
428.52942

>  <Item Name> (36)
Irbesartan (Avapro)

>  <Catalog Number> (36)
S1507

>  <Synonyms> (36)
BMS-186295, SR-47436                                                                          

>  <Target> (36)
RAAS

>  <Form> (36)
Free Base

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

>  <CAS Number> (36)
138402-11-6

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/10101813242D

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   10.8993    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    0.0024    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> (37)
37

>  <Formula> (37)
C16H18FN3O3

>  <MolWeight> (37)
319.3308232

>  <Item Name> (37)
Norfloxacin (Norxacin)

>  <Catalog Number> (37)
S1509

>  <Synonyms> (37)
Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin 

>  <Target> (37)
Others

>  <Form> (37)
Free Base

>  <URL> (37)
http://www.selleckchem.com/products/Norfloxacin(Norxacin).html

>  <CAS Number> (37)
70458-96-7

$$$$
Cidofovir .cdx
csChFnd80/10101813242D

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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C8H14N3O6P

>  <MolWeight> (38)
279.187021

>  <Item Name> (38)
Cidofovir (Vistide)

>  <Catalog Number> (38)
S1516

>  <Synonyms> (38)
Vistide

>  <Target> (38)
Others

>  <Form> (38)
Free Base

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

>  <CAS Number> (38)
113852-37-2

$$$$
NEOPROFEN (ibuprofen lysine).cdx
csChFnd80/10101813242D

 25 24  0  0  0  0  0  0  0  0999 V2000
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 16 25  2  0  0  0  0
M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C19H32N2O4

>  <MolWeight> (39)
352.46838

>  <Item Name> (39)
Ibuprofen Lysine (NeoProfen)

>  <Catalog Number> (39)
S1518

>  <Synonyms> (39)
NeoProfen

>  <Target> (39)
COX

>  <Form> (39)
Lysine

>  <URL> (39)
http://www.selleckchem.com/products/Ibuprofen-Lysine(Motrin).html

>  <CAS Number> (39)
57469-77-9

$$$$
CCT129202.cdx
csChFnd80/10101813242D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C23H25ClN8OS

>  <MolWeight> (40)
497.0156

>  <Item Name> (40)
CCT129202

>  <Catalog Number> (40)
S1519

>  <Synonyms> (40)
N/A

>  <Target> (40)
Aurora Kinase

>  <Form> (40)
Free Base

>  <URL> (40)
http://www.selleckchem.com/products/CCT129202.html

>  <CAS Number> (40)
942947-93-5

$$$$
Tripelennamine hydrochloride.cdx
csChFnd80/10101813242D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (41)
41

>  <Formula> (41)
C16H22ClN3

>  <MolWeight> (41)
291.81898

>  <Item Name> (41)
Tripelennamine HCl

>  <Catalog Number> (41)
S3146

>  <Synonyms> (41)
N/A 

>  <Target> (41)
Histamine Receptor

>  <Form> (41)
HCl

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

>  <CAS Number> (41)
154-69-8

$$$$

csChFnd80/10101813242D

 47 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C28H38N12O6S

>  <MolWeight> (42)
670.74312

>  <Item Name> (42)
Abacavir sulfate

>  <Catalog Number> (42)
S3165

>  <Synonyms> (42)
N/A 

>  <Target> (42)
Reverse Transcriptase

>  <Form> (42)
Sulfate

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

>  <CAS Number> (42)
188062-50-2

$$$$
Amikacin hydrate.cdx
csChFnd80/10101813242D

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A   42
R
M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C22H45N5O14R

>  <MolWeight> (43)
603.6178

>  <Item Name> (43)
Amikacin hydrate

>  <Catalog Number> (43)
S3122

>  <Synonyms> (43)
N/A 

>  <Target> (43)
Antifection

>  <Form> (43)
Hydrate

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

>  <CAS Number> (43)
1257517-67-1

$$$$
RISPERIDONE (risperidone).cdx
csChFnd80/10101813242D

 30 34  0  0  0  0  0  0  0  0999 V2000
   12.6402    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8526    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0651    4.4785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8526    6.5785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C23H27FN4O2

>  <MolWeight> (44)
410.4844832

>  <Item Name> (44)
Risperidone (Risperdal)

>  <Catalog Number> (44)
S1615

>  <Synonyms> (44)
R 64 766, Risperdal

>  <Target> (44)
5-HT Receptor

>  <Form> (44)
Free Base

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

>  <CAS Number> (44)
106266-06-2

$$$$
ALENDRONATE SODIUM (alendronate sodium).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C4H19NNaO10P2

>  <MolWeight> (45)
326.131652

>  <Item Name> (45)
Alendronate sodium trihydrate

>  <Catalog Number> (45)
S1624

>  <Synonyms> (45)
N/A

>  <Target> (45)
Others

>  <Form> (45)
Sodium Salt

>  <URL> (45)
http://www.selleckchem.com/products/Alendronate-Sodium(Fosamax).html

>  <CAS Number> (45)
121268-17-5

$$$$
Oxacillin sodium monohydrate.cdx
csChFnd80/10101813242D

 31 32  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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M  END
>  <Mol_ID> (46)
46

>  <Formula> (46)
C19H20N3NaO6S

>  <MolWeight> (46)
441.43337

>  <Item Name> (46)
Oxacillin sodium monohydrate

>  <Catalog Number> (46)
S2563

>  <Synonyms> (46)
N/A

>  <Target> (46)
Antifection

>  <Form> (46)
Sodium Salt & hydrate

>  <URL> (46)
http://www.selleckchem.com/products/Oxacillin-sodium-monohydrate.html

>  <CAS Number> (46)
7240-38-2

$$$$
ALDOMET (methyldopa).cdx
csChFnd80/10101813242D

 15 15  0  0  0  0  0  0  0  0999 V2000
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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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 10 11  1  0  0  0  0
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 11 14  2  0  0  0  0
 10 15  1  6  0  0  0
M  END
>  <Mol_ID> (47)
47

>  <Formula> (47)
C10H13NO4

>  <MolWeight> (47)
211.21452

>  <Item Name> (47)
Methyldopa (Aldomet)

>  <Catalog Number> (47)
S1642

>  <Synonyms> (47)
Aldoril 

>  <Target> (47)
Others

>  <Form> (47)
Free Base

>  <URL> (47)
http://www.selleckchem.com/products/Methyldopa(Aldomet).html

>  <CAS Number> (47)
555-30-6

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    4.4233    2.9579    0.0000 C   0  0  2  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> (48)
48

>  <Formula> (48)
C9H13N3O5

>  <MolWeight> (48)
243.21662

>  <Item Name> (48)
Cytarabine

>  <Catalog Number> (48)
S1648

>  <Synonyms> (48)
N/A 

>  <Target> (48)
Others

>  <Form> (48)
Free Base

>  <URL> (48)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

>  <CAS Number> (48)
147-94-4

$$$$
DEMADEX (torsemide).cdx
csChFnd80/10101813242D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2494    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 15 23  2  0  0  0  0
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M  END
>  <Mol_ID> (49)
49

>  <Formula> (49)
C16H20N4O3S

>  <MolWeight> (49)
348.42

>  <Item Name> (49)
Torsemide (Demadex)

>  <Catalog Number> (49)
S1698

>  <Synonyms> (49)
Demadex

>  <Target> (49)
Others

>  <Form> (49)
Free Base

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

>  <CAS Number> (49)
56211-40-6

$$$$
EPLERENONE (eplerenone).cdx
csChFnd80/10101813242D

 32 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 28 30  2  0  0  0  0
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 11 32  1  6  0  0  0
M  END
>  <Mol_ID> (50)
50

>  <Formula> (50)
C24H30O6

>  <MolWeight> (50)
414.4914

>  <Item Name> (50)
Eplerenone

>  <Catalog Number> (50)
S1707

>  <Synonyms> (50)
Inspra

>  <Target> (50)
Glucocorticoid Receptor

>  <Form> (50)
Free Base

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

>  <CAS Number> (50)
107724-20-9

$$$$
SOLATENE (beta carotene).cdx
csChFnd80/10101813242D

 40 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (51)
51

>  <Formula> (51)
C40H56

>  <MolWeight> (51)
536.87264

>  <Item Name> (51)
Beta Carotene

>  <Catalog Number> (51)
S1767

>  <Synonyms> (51)
¦Â,¦Â-Carotene, Provitamin A, Solatene, ¦Â-Carotene 

>  <Target> (51)
Others

>  <Form> (51)
Free Base

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

>  <CAS Number> (51)
7235-40-7

$$$$
Deferiprone.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.3976    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    5.5903    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
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  5  6  1  0  0  0  0
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  1  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (52)
52

>  <Formula> (52)
C7H9NO2

>  <MolWeight> (52)
139.15186

>  <Item Name> (52)
Deferiprone

>  <Catalog Number> (52)
S4067

>  <Synonyms> (52)
N/A

>  <Target> (52)
Others

>  <Form> (52)
Free Base

>  <URL> (52)
http://www.selleckchem.com/products/deferiprone.html

>  <CAS Number> (52)
30652-11-0

$$$$
Levamisole Hydrochloride.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    2.3422    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    0.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    0.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  1  0  0  0
M  END
>  <Mol_ID> (53)
53

>  <Formula> (53)
C11H13ClN2S

>  <MolWeight> (53)
240.75232

>  <Item Name> (53)
(-)-Tetramisole 

>  <Catalog Number> (53)
S1939

>  <Synonyms> (53)
Ergamisol

>  <Target> (53)
Immunology & Inflammation related

>  <Form> (53)
Hydrochloride

>  <URL> (53)
http://www.selleckchem.com/products/Levamisole-Hydrochloride(Ergamisol).html

>  <CAS Number> (53)
16595-80-5 

$$$$
SEROMYCIN (cycloserine).cdx
csChFnd80/10101813242D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.1326    3.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  6  0  0  0
M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C3H6N2O2

>  <MolWeight> (54)
102.09194

>  <Item Name> (54)
D-Cycloserine

>  <Catalog Number> (54)
S1998

>  <Synonyms> (54)
Seromycin

>  <Target> (54)
Antifection

>  <Form> (54)
Free Base

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

>  <CAS Number> (54)
68-41-7

$$$$
Sodium butyrate.cdx
csChFnd80/10101813242D

  7  5  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
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1024    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
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C4H7NaO2

>  <MolWeight> (55)
110.08695

>  <Item Name> (55)
Sodium butyrate

>  <Catalog Number> (55)
S1999

>  <Synonyms> (55)
Butyric acid sodium salt

>  <Target> (55)
HDAC

>  <Form> (55)
Sodium Salt

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

>  <CAS Number> (55)
156-54-7

$$$$
Sodium orthovanadate.cdx
csChFnd80/10101813242D

  8  4  0  0  0  0  0  0  0  0999 V2000
    0.7000    2.0951    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    1.0780    1.1175    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.7780   -0.2825    0.0000 Na  0  3  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  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (56)
56

>  <Formula> (56)
Na3O4V

>  <MolWeight> (56)
183.90841

>  <Item Name> (56)
Sodium orthovanadate

>  <Catalog Number> (56)
S2000

>  <Synonyms> (56)
N/A

>  <Target> (56)
ATPase

>  <Form> (56)
Sodium Salt

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

>  <CAS Number> (56)
13721-39-6

$$$$
Taurine.cdx
csChFnd80/10101813242D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    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
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  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (57)
57

>  <Formula> (57)
C2H7NO3S

>  <MolWeight> (57)
125.14688

>  <Item Name> (57)
Taurine

>  <Catalog Number> (57)
S2008

>  <Synonyms> (57)
2-Aminoethanesulfonic acid

>  <Target> (57)
Others

>  <Form> (57)
Free Base

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

>  <CAS Number> (57)
107-35-7

$$$$
Rheochrysidin.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    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
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
  8 11  1  0  0  0  0
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 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
  1 16  1  0  0  0  0
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  7 18  2  0  0  0  0
 11 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C16H12O5

>  <MolWeight> (58)
284.26348

>  <Item Name> (58)
Rheochrysidin (Physcione)

>  <Catalog Number> (58)
S2395

>  <Synonyms> (58)
Physcion, Physcione, Parietin, Emodin 3-methyl ether, NSC 251670 

>  <Target> (58)
Others

>  <Form> (58)
Free Base

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

>  <CAS Number> (58)
521-61-9

$$$$
Fudosteine.cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C6H13NO3S

>  <MolWeight> (59)
179.23732

>  <Item Name> (59)
Fudosteine

>  <Catalog Number> (59)
S2129

>  <Synonyms> (59)
N/A

>  <Target> (59)
Others

>  <Form> (59)
Free Base

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

>  <CAS Number> (59)
13189-98-5

$$$$
Creatinine.cdx
csChFnd80/10101813242D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4641    0.3903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4641    2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (60)
60

>  <Formula> (60)
C4H7N3O

>  <MolWeight> (60)
113.11788

>  <Item Name> (60)
Creatinine

>  <Catalog Number> (60)
S3102

>  <Synonyms> (60)
N/A 

>  <Target> (60)
Others

>  <Form> (60)
Free Base

>  <URL> (60)
http://www.selleckchem.com/products/creatinine.html

>  <CAS Number> (60)
60-27-5

$$$$
Neratinib.cdx
csChFnd80/10101813242D

 40 43  0  0  0  0  0  0  0  0999 V2000
    7.2536    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    9.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9446    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  2  0  0  0  0
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M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C30H29ClN6O3

>  <MolWeight> (61)
557.04266

>  <Item Name> (61)
Neratinib (HKI-272)

>  <Catalog Number> (61)
S2150

>  <Synonyms> (61)
N/A 

>  <Target> (61)
HER2, EGFR

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

>  <CAS Number> (61)
698387-09-6

$$$$
R 788.cdx
csChFnd80/10101813242D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (62)
62

>  <Formula> (62)
C23H24FN6Na2O9P

>  <MolWeight> (62)
624.4231642

>  <Item Name> (62)
R935788 (Fostamatinib disodium)

>  <Catalog Number> (62)
S2206

>  <Synonyms> (62)
N/A 

>  <Target> (62)
Syk

>  <Form> (62)
Sodium Salt

>  <URL> (62)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

>  <CAS Number> (62)
1025687-58-4

$$$$
(-)-Huperzine A.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (63)
63

>  <Formula> (63)
C15H18N2O

>  <MolWeight> (63)
242.31622

>  <Item Name> (63)
(-)-Huperzine A (HupA)

>  <Catalog Number> (63)
S2251

>  <Synonyms> (63)
N/A

>  <Target> (63)
AChR & GluR

>  <Form> (63)
Free Base

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

>  <CAS Number> (63)
102518-79-6

$$$$
Diosmin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (64)
64

>  <Formula> (64)
C28H32O15

>  <MolWeight> (64)
608.54468

>  <Item Name> (64)
Diosmin

>  <Catalog Number> (64)
S2292

>  <Synonyms> (64)
N/A

>  <Target> (64)
Others

>  <Form> (64)
Free Base

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

>  <CAS Number> (64)
520-27-4

$$$$
Donepezil HCl.cdx
csChFnd80/10101813242D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (65)
65

>  <Formula> (65)
C24H30ClNO3

>  <MolWeight> (65)
415.9529

>  <Item Name> (65)
Donepezil HCl (Aricept)

>  <Catalog Number> (65)
S2462

>  <Synonyms> (65)
N/A 

>  <Target> (65)
AChR

>  <Form> (65)
Hydrochloride

>  <URL> (65)
http://www.selleckchem.com/products/Donepezil-hydrochloride(Aricept).html

>  <CAS Number> (65)
120011-70-3

$$$$
Itraconazole.cdx
csChFnd80/10101813242D

 49 55  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (66)
66

>  <Formula> (66)
C35H38Cl2N8O4

>  <MolWeight> (66)
705.63342

>  <Item Name> (66)
Itraconazole (Sporanox)

>  <Catalog Number> (66)
S2476

>  <Synonyms> (66)
Sporanox

>  <Target> (66)
P450 (e.g. CYP17)

>  <Form> (66)
Free Base

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

>  <CAS Number> (66)
84625-61-6

$$$$
Neostigmine bromide.cdx
csChFnd80/10101813242D

 17 16  0  0  0  0  0  0  0  0999 V2000
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    8.4955    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429    0.6951    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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  9 11  1  0  0  0  0
  8 12  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (67)
67

>  <Formula> (67)
C12H19BrN2O2

>  <MolWeight> (67)
303.19546

>  <Item Name> (67)
Neostigmine bromide (Prostigmin)

>  <Catalog Number> (67)
S2490

>  <Synonyms> (67)
Prostigmin, Vagostigmin

>  <Target> (67)
AChR

>  <Form> (67)
Bromide

>  <URL> (67)
http://www.selleckchem.com/products/Neostigmine-bromide(Prostigmin).html

>  <CAS Number> (67)
114-80-7

$$$$
Salbutamol sulfate.cdx
csChFnd80/10101813242D

 22 21  0  0  0  0  0  0  0  0999 V2000
    6.0664    5.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6415    5.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    7.5683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    5.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5757    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5757    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1757    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9757    1.4000    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  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
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (68)
68

>  <Formula> (68)
C13H23NO7S

>  <MolWeight> (68)
337.38922

>  <Item Name> (68)
Salbutamol sulfate (Albuterol)

>  <Catalog Number> (68)
S2507

>  <Synonyms> (68)
Albuterol, Ventolin, Aerolin, Ventorlin, Asthalin, Asthavent

>  <Target> (68)
Adrenergic Receptor

>  <Form> (68)
Sulfate

>  <URL> (68)
http://www.selleckchem.com/products/Salbutamol-sulfate(Albuterol).html

>  <CAS Number> (68)
51022-70-9

$$$$
Methacycline hydrochloride.cdx
csChFnd80/10101813242D

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.8771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.4771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    5.8771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.5771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    6.5771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    7.9722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    7.9722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4770    8.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1499    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  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  2  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  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 17  1  0  0  0  0
  3 22  1  0  0  0  0
 10 23  2  0  0  0  0
  7 24  2  0  0  0  0
 15 25  2  0  0  0  0
 19 26  2  0  0  0  0
  9 27  1  6  0  0  0
 14 28  1  6  0  0  0
 13 29  1  6  0  0  0
 18 30  1  6  0  0  0
 12 31  1  6  0  0  0
 11 32  1  0  0  0  0
  7  8  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (69)
69

>  <Formula> (69)
C22H23ClN2O8

>  <MolWeight> (69)
478.87962

>  <Item Name> (69)
Methacycline hydrochloride (Physiomycine)

>  <Catalog Number> (69)
S2527

>  <Synonyms> (69)
Adriamicina, Ciclobiotic, Germiciclin, Londomycin, Metacyclin hydrochloride, Metadomus, Methacycline 

>  <Target> (69)
Antifection

>  <Form> (69)
Hydrochloride 

>  <URL> (69)
http://www.selleckchem.com/products/Methacycline-hydrochloride-Physiomycine.html

>  <CAS Number> (69)
3963-95-9

$$$$
7-Aminocephalosporanic acid.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.3865    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5990    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5990    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5990    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3907    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8072    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0196    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2278    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4361    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6443    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4361    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    0.0000    0.0000 H   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  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
  9 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
 14 16  2  0  0  0  0
  7 17  2  0  0  0  0
  8 18  1  6  0  0  0
  2 19  1  1  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (70)
70

>  <Formula> (70)
C10H12N2O5S

>  <MolWeight> (70)
272.27768

>  <Item Name> (70)
7-Aminocephalosporanic acid

>  <Catalog Number> (70)
S2530

>  <Synonyms> (70)
7-ACA 

>  <Target> (70)
Others

>  <Form> (70)
Free Base

>  <URL> (70)
http://www.selleckchem.com/products/7-Aminocephalosporanic-acid.html

>  <CAS Number> (70)
957-68-6

$$$$
fty720.cdx
csChFnd80/10101813242D

 23 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.7024    0.0000 C   0  0  0  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
    7.2788    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (71)
71

>  <Formula> (71)
C19H34ClNO2

>  <MolWeight> (71)
343.93176

>  <Item Name> (71)
Fingolimod (FTY720) HCl

>  <Catalog Number> (71)
S5002

>  <Synonyms> (71)
Gilenia 

>  <Target> (71)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (71)
Hydrochloride

>  <URL> (71)
http://www.selleckchem.com/products/FTY720.html

$$$$
P.cdx
csChFnd80/10101813242D

 57 60  0  0  0  0  0  0  0  0999 V2000
    3.6331   14.0073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331   12.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664   12.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664   14.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.7098    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4206   14.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   14.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.1098    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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72

>  <Formula> (72)
C43H68ClNO11

>  <MolWeight> (72)
810.45312

>  <Item Name> (72)
Pimecrolimus

>  <Catalog Number> (72)
S5004

>  <Synonyms> (72)
Elidel, SDZ-ASM-981

>  <Target> (72)
Others

>  <Form> (72)
Free Base

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

>  <CAS Number> (72)
137071-32-0

$$$$
ly404039.cdx
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C7H9NO6S

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LY2140023 (LY404039)

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S6001

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N/A 

>  <Target> (73)
GluR

>  <Form> (73)
Free Base

>  <URL> (73)
http://www.selleckchem.com/products/LY2140023(LY404039).html

>  <CAS Number> (73)
635318-11-5

$$$$
Nxy-059.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (74)
74

>  <Formula> (74)
C11H13NNa2O7S2

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>  <Item Name> (74)
NXY-059 (Disufenton sodium)

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S6002

>  <Synonyms> (74)
Cerovive, Disufenton Sodium

>  <Target> (74)
Others

>  <Form> (74)
Disodium salt

>  <URL> (74)
http://www.selleckchem.com/products/NXY-059.html

>  <CAS Number> (74)
168021-79-2

$$$$
untitled.cdx
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>  <Mol_ID> (75)
75

>  <Formula> (75)
C15H9FN2O3

>  <MolWeight> (75)
284.2419632

>  <Item Name> (75)
PTC124 (Ataluren)

>  <Catalog Number> (75)
S6003

>  <Synonyms> (75)
N/A 

>  <Target> (75)
CFTR

>  <Form> (75)
Free Base

>  <URL> (75)
http://www.selleckchem.com/products/PTC124.html

>  <CAS Number> (75)
775304-57-9

$$$$
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M  END
>  <Mol_ID> (76)
76

>  <Formula> (76)
C19H12F4N4O2

>  <MolWeight> (76)
404.3177928

>  <Item Name> (76)
VX-702

>  <Catalog Number> (76)
S6005

>  <Synonyms> (76)
N/A

>  <Target> (76)
p38 MAPK 

>  <Form> (76)
Free Base

>  <URL> (76)
http://www.selleckchem.com/products/VX-702.html

>  <CAS Number> (76)
745833-23-2

$$$$
NUTRESTORE (glutamine).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C5H10N2O3

>  <MolWeight> (77)
146.1445

>  <Item Name> (77)
L-Glutamine

>  <Catalog Number> (77)
S1749

>  <Synonyms> (77)
N/A

>  <Target> (77)
Others

>  <Form> (77)
Free Base

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

>  <CAS Number> (77)
56-85-9

$$$$
CP-690550 citrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (78)
78

>  <Formula> (78)
C22H28N6O8

>  <MolWeight> (78)
504.49312

>  <Item Name> (78)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (78)
S5001

>  <Synonyms> (78)
N/A 

>  <Target> (78)
JAK

>  <Form> (78)
Citrate

>  <URL> (78)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (78)
540737-29-9

$$$$
Ketanserin.cdx
csChFnd80/10101813242D

 29 32  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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M  END
>  <Mol_ID> (79)
79

>  <Formula> (79)
C22H22FN3O3

>  <MolWeight> (79)
395.4267832

>  <Item Name> (79)
Ketanserin (Vulketan Gel)

>  <Catalog Number> (79)
S2232

>  <Synonyms> (79)
R 41468, Vulketan Gel

>  <Target> (79)
5-HT Receptor

>  <Form> (79)
Free Base

>  <URL> (79)
http://www.selleckchem.com/products/Ketanserin-Vulketan-Gel.html

>  <CAS Number> (79)
74050-98-9

$$$$
Lomefloxacin hydrochloride.cdx
csChFnd80/10101813242D

 26 27  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> (80)
80

>  <Formula> (80)
C17H20ClF2N3O3

>  <MolWeight> (80)
387.8088064

>  <Item Name> (80)
Lomefloxacin hydrochloride (Maxaquin)

>  <Catalog Number> (80)
S2539

>  <Synonyms> (80)
Maxaquin, Okacyn, Uniquin

>  <Target> (80)
Antifection

>  <Form> (80)
Hydrochloride 

>  <URL> (80)
http://www.selleckchem.com/products/Lomefloxacin-hydrochloride-Maxaquin.html

>  <CAS Number> (80)
98079-52-8

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C8H9ClN4

>  <MolWeight> (81)
196.63686

>  <Item Name> (81)
Hydralazine hydrochloride

>  <Catalog Number> (81)
S2562

>  <Synonyms> (81)
Apresoline

>  <Target> (81)
Others

>  <Form> (81)
Hydrochloride

>  <URL> (81)
http://www.selleckchem.com/products/Hydralazine-hydrochloride.html

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>  <Mol_ID> (85)
85

>  <Formula> (85)
C23H48N6O17S

>  <MolWeight> (85)
712.72222

>  <Item Name> (85)
Neomycin sulfate

>  <Catalog Number> (85)
S2568 

>  <Synonyms> (85)
N/A

>  <Target> (85)
Antifection

>  <Form> (85)
Sulfate

>  <URL> (85)
http://www.selleckchem.com/products/Neomycin-sulfate.html

>  <CAS Number> (85)
1405-10-3

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (86)
86

>  <Formula> (86)
C6H13Cl2N7O3

>  <MolWeight> (86)
302.11852

>  <Item Name> (86)
Amiloride hydrochloride dihydrate

>  <Catalog Number> (86)
S2560 

>  <Synonyms> (86)
MK-870

>  <Target> (86)
Sodium Channel

>  <Form> (86)
hydrochloride & dihydrate

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

>  <CAS Number> (86)
17440-83-4

$$$$
NU-7441(KU-57788).cdx
csChFnd80/10101813242D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (87)
87

>  <Formula> (87)
C25H19NO3S

>  <MolWeight> (87)
413.48826

>  <Item Name> (87)
NU7441(KU-57788)

>  <Catalog Number> (87)
S2638

>  <Synonyms> (87)
N/A 

>  <Target> (87)
DNA-PK, PI3K

>  <Form> (87)
Free Base

>  <URL> (87)
http://www.selleckchem.com/products/nu7441.html

>  <CAS Number> (87)
503468-95-9 

$$$$
SCH 900776.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (88)
88

>  <Formula> (88)
C15H18BrN7

>  <MolWeight> (88)
376.25432

>  <Item Name> (88)
MK-8776 (SCH 900776)

>  <Catalog Number> (88)
S2735

>  <Synonyms> (88)
N/A

>  <Target> (88)
CHK

>  <Form> (88)
Free Base

>  <URL> (88)
http://www.selleckchem.com/products/sch-900776.html

>  <CAS Number> (88)
891494-63-6

$$$$
ATP disodium salt.cdx
csChFnd80/10101813242D

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    2.4077    6.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403    5.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287    5.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824    4.2348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1150    3.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3939    3.9813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269    4.8162    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.7270    4.8162    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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 16 18  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 13 22  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
 26  7  1  0  0  0  0
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 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 26  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C10H14N5Na2O13P3

>  <MolWeight> (89)
551.144683

>  <Item Name> (89)
ATP (Adenosine-Triphosphate)

>  <Catalog Number> (89)
S1985

>  <Synonyms> (89)
N/A 

>  <Target> (89)
Others

>  <Form> (89)
Disodium Salt

>  <URL> (89)
http://www.selleckchem.com/products/atp-Adenosine-Triphosphate.html

>  <CAS Number> (89)
987-65-5

$$$$
Meclizine dihydrochloride.cdx
csChFnd80/10101813242D

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1033    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1033    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9620    3.4964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5620    3.4964    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
  1  7  1  0  0  0  0
  4  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
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
  8 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
M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C25H29Cl3N2

>  <MolWeight> (90)
463.87016

>  <Item Name> (90)
Meclizine dihydrochloride

>  <Catalog Number> (90)
S1986 

>  <Synonyms> (90)
N/A

>  <Target> (90)
Others

>  <Form> (90)
Dihydrochloride

>  <URL> (90)
http://www.selleckchem.com/products/meclizine-dihydrochloride.html

>  <CAS Number> (90)
1104-22-9

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/10101813242D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.2829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.5829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 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
M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C12H20ClN3O

>  <MolWeight> (91)
257.7597

>  <Item Name> (91)
Procarbazine hydrochloride (Matulane)

>  <Catalog Number> (91)
S1995

>  <Synonyms> (91)
N/A 

>  <Target> (91)
DNA/RNA

>  <Form> (91)
Hydrochloride

>  <URL> (91)
http://www.selleckchem.com/products/procarbazine-hydrochloride-matulane.html

>  <CAS Number> (91)
366-70-1

$$$$
Ticlopidine hydrochloride.cdx
csChFnd80/10101813242D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.8125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.5451    0.0000 S   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
    0.8229    2.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4662    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  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
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C14H15Cl2NS

>  <MolWeight> (92)
300.2466

>  <Item Name> (92)
Ticlopidine hydrochloride

>  <Catalog Number> (92)
S1984

>  <Synonyms> (92)
N/A

>  <Target> (92)
P2 Receptor

>  <Form> (92)
Hydrochloride

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

>  <CAS Number> (92)
53885-35-1

$$$$
Trazodone hydrochloride.cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5268    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    1.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.9341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1698    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1066    2.4051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4066    3.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0372    3.3264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5066    2.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2066    3.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5066    4.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1066    4.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4599    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  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  8  1  0  0  0  0
 11 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 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 19 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
 18 26  2  0  0  0  0
M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C19H23Cl2N5O

>  <MolWeight> (93)
408.32482

>  <Item Name> (93)
Trazodone hydrochloride (Desyrel)

>  <Catalog Number> (93)
S2582

>  <Synonyms> (93)
N/A 

>  <Target> (93)
5-HT Receptor

>  <Form> (93)
Hydrochloride

>  <URL> (93)
http://www.selleckchem.com/products/trazodone-hydrochloride-desyrel.html

>  <CAS Number> (93)
25332-39-2 

$$$$
Disodium Cromoglycate.cdx
csChFnd80/10101813242D

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.6289   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3854    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2620    9.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C23H14Na2O11

>  <MolWeight> (94)
512.3302

>  <Item Name> (94)
Disodium Cromoglycate

>  <Catalog Number> (94)
S1911

>  <Synonyms> (94)
Gynazole

>  <Target> (94)
Calcium Channel

>  <Form> (94)
Disodium Salt

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

>  <CAS Number> (94)
15826-37-6

$$$$
Epalrestat.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.9579    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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 15 10  1  0  0  0  0
 15 16  2  0  0  0  0
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M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C15H13NO3S2

>  <MolWeight> (95)
319.39862

>  <Item Name> (95)
Epalrestat

>  <Catalog Number> (95)
S2035 

>  <Synonyms> (95)
N/A

>  <Target> (95)
Others

>  <Form> (95)
Free Base

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

>  <CAS Number> (95)
82159-09-9

$$$$
Tranexamic acid.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    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
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  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C8H15NO2

>  <MolWeight> (96)
157.2102

>  <Item Name> (96)
Tranexamic acid (Transamin)

>  <Catalog Number> (96)
S1875

>  <Synonyms> (96)
Cyklokapron 

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/tranexamic-acid-transamin.html

>  <CAS Number> (96)
1197-18-8

$$$$
Flubendazole.cdx
csChFnd80/10101813242D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.9322    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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  4 10  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  4  1  0  0  0  0
  7 15  1  0  0  0  0
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 18 12  1  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C16H12FN3O3

>  <MolWeight> (97)
313.2831832

>  <Item Name> (97)
Flubendazole (Flutelmium)

>  <Catalog Number> (97)
S1837

>  <Synonyms> (97)
N/A 

>  <Target> (97)
Others

>  <Form> (97)
Free Base

>  <URL> (97)
http://www.selleckchem.com/products/flubendazole-flutelmium.html

>  <CAS Number> (97)
31430-15-6

$$$$
NADIDE.cdx
csChFnd80/10101813242D

 44 48  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  6  0  0  0
M  END
>  <Mol_ID> (98)
98

>  <Formula> (98)
C21H27N7O14P2

>  <MolWeight> (98)
663.425102

>  <Item Name> (98)
NAD+

>  <Catalog Number> (98)
S2518

>  <Synonyms> (98)
N/A

>  <Target> (98)
Others

>  <Form> (98)
Free Base

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

>  <CAS Number> (98)
53-84-9

$$$$
Streptomycin sulfate.cdx
csChFnd80/10101813242D

 99100  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (99)
99

>  <Formula> (99)
C42H84N14O36S3

>  <MolWeight> (99)
1457.38356

>  <Item Name> (99)
Streptomycin sulfate

>  <Catalog Number> (99)
S2572

>  <Synonyms> (99)
N/A

>  <Target> (99)
Antifection

>  <Form> (99)
1.5 Sulfate

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

>  <CAS Number> (99)
3810-74-0 

$$$$
Clindamycin phosphate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (100)
100

>  <Formula> (100)
C18H34ClN2O8PS

>  <MolWeight> (100)
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>  <Item Name> (100)
Clindamycin phosphate

>  <Catalog Number> (100)
S2048

>  <Synonyms> (100)
N/A

>  <Target> (100)
Antifection

>  <Form> (100)
Free Base

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

>  <CAS Number> (100)
24729-96-2

$$$$
Etidronate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (101)
101

>  <Formula> (101)
C2H8O7P2

>  <MolWeight> (101)
206.028242

>  <Item Name> (101)
Etidronate (Didronel)

>  <Catalog Number> (101)
S1857

>  <Synonyms> (101)
N/A 

>  <Target> (101)
phosphatase

>  <Form> (101)
Free Base

>  <URL> (101)
http://www.selleckchem.com/products/etidronate-didronel.html

>  <CAS Number> (101)
2809-21-4

$$$$
Lornoxicam.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (102)
102

>  <Formula> (102)
C13H10ClN3O4S2

>  <MolWeight> (102)
371.8192

>  <Item Name> (102)
Lornoxicam (Xefo)

>  <Catalog Number> (102)
S2047

>  <Synonyms> (102)
N/A 

>  <Target> (102)
COX

>  <Form> (102)
Free Base

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

>  <CAS Number> (102)
70374-39-9

$$$$
OMNISCAN (gadodiamide).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (103)
103

>  <Formula> (103)
C16H28GdN5O9

>  <MolWeight> (103)
591.67162

>  <Item Name> (103)
Gadodiamide Hydrate

>  <Catalog Number> (103)
S1751

>  <Synonyms> (103)
Omniscan

>  <Target> (103)
Others

>  <Form> (103)
Hydrate

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

>  <CAS Number> (103)
122795-43-1

$$$$
CCT137690.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (104)
104

>  <Formula> (104)
C26H31BrN8O

>  <MolWeight> (104)
551.48134

>  <Item Name> (104)
CCT137690

>  <Catalog Number> (104)
S2744

>  <Synonyms> (104)
N/A

>  <Target> (104)
Aurora Kinase

>  <Form> (104)
Free Base

>  <URL> (104)
http://www.selleckchem.com/products/cct137690.html

>  <CAS Number> (104)
1095382-05-0

$$$$
LY2109761.cdx
csChFnd80/10101813242D

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105

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LY2109761

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N/A

>  <Target> (105)
TGF-beta/Smad

>  <Form> (105)
Free Base

>  <URL> (105)
http://www.selleckchem.com/products/ly2109761.html

>  <CAS Number> (105)
700874-71-1 

$$$$
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>  <Synonyms> (106)
N/A

>  <Target> (106)
c-Met 

>  <Form> (106)
Free Base

>  <URL> (106)
http://www.selleckchem.com/products/incb28060.html

>  <CAS Number> (106)
1029712-80-8

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AMD3100 

>  <Target> (107)
CXCR

>  <Form> (107)
Octahydrochloride 

>  <URL> (107)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

>  <CAS Number> (107)
155148-31-5

$$$$
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csChFnd80/10101813242D

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Aloperine

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>  <Target> (108)
Others

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Free Base

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

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56293-29-9

$$$$
LY364947.cdx
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396129-53-6

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   14.5746   11.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7416   11.7805    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
   11.0184    3.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 34  2  0  0  0  0
M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C20H31CaN7O12

>  <MolWeight> (110)
601.57784

>  <Item Name> (110)
Leucovorin Calcium Pentahydrate

>  <Catalog Number> (110)
S1236

>  <Synonyms> (110)
Calcium, Calcium Folinatc, Citrovorum Factor 

>  <Target> (110)
Others

>  <Form> (110)
Hydrate

>  <URL> (110)
http://www.selleckchem.com/products/Leucovorin-Calcium.html

>  <CAS Number> (110)
6035-45-6

$$$$
Torin 1.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C35H28F3N5O2

>  <MolWeight> (111)
607.6243296

>  <Item Name> (111)
Torin 1

>  <Catalog Number> (111)
S2827

>  <Synonyms> (111)
N/A 

>  <Target> (111)
mTOR

>  <Form> (111)
Free Base

>  <URL> (111)
http://www.selleckchem.com/products/torin-1.html

>  <CAS Number> (111)
1222998-36-8

$$$$
Ibandronate sodium.cdx
csChFnd80/10101813242D

 21 18  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C9H25NNaO8P2

>  <MolWeight> (112)
360.233992

>  <Item Name> (112)
Ibandronate sodium

>  <Catalog Number> (112)
S3148

>  <Synonyms> (112)
N/A 

>  <Target> (112)
Others

>  <Form> (112)
Sodium

>  <URL> (112)
http://www.selleckchem.com/products/ibandronate-sodium.html

>  <CAS Number> (112)
138926-19-9

$$$$
L-Arginine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C6H15ClN4O2

>  <MolWeight> (113)
210.6619

>  <Item Name> (113)
L-Arginine HCl

>  <Catalog Number> (113)
S3174

>  <Synonyms> (113)
N/A 

>  <Target> (113)
NOS

>  <Form> (113)
HCl

>  <URL> (113)
http://www.selleckchem.com/products/l-Arginine-hydrochloride.html

>  <CAS Number> (113)
1119-34-2

$$$$
Thiamine hydrochloride.cdx
csChFnd80/10101813242D

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 13 18  1  0  0  0  0
 10 14  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C12H18Cl2N4OS

>  <MolWeight> (114)
337.26852

>  <Item Name> (114)
Thiamine HCl (Vitamin B1)

>  <Catalog Number> (114)
S3211

>  <Synonyms> (114)
N/A

>  <Target> (114)
Vitamin

>  <Form> (114)
Hydrochloride

>  <URL> (114)
http://www.selleckchem.com/products/thiamine-hcl-vitamin-b1.html

>  <CAS Number> (114)
67-03-8

$$$$
Palonosetron HCl.cdx
csChFnd80/10101813242D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 18 22  1  0  0  0  0
 17  2  1  1  0  0  0
  4 23  1  6  0  0  0
 17 24  1  6  0  0  0
M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C19H25ClN2O

>  <MolWeight> (115)
332.8676

>  <Item Name> (115)
Palonosetron HCl

>  <Catalog Number> (115)
S3050

>  <Synonyms> (115)
N/A 

>  <Target> (115)
5-HT Receptor

>  <Form> (115)
HCL

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

>  <CAS Number> (115)
135729-62-3

$$$$
TG 100713.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.8000    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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 10 17  1  0  0  0  0
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  3 13  1  0  0  0  0
  1 19  1  0  0  0  0
M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C12H10N6O

>  <MolWeight> (116)
254.2474

>  <Item Name> (116)
TG 100713

>  <Catalog Number> (116)
S2870

>  <Synonyms> (116)
N/A

>  <Target> (116)
PI3K

>  <Form> (116)
Free Base

>  <URL> (116)
http://www.selleckchem.com/products/tg-100713.html

>  <CAS Number> (116)
925705-73-3

$$$$
Solifenacin succinate.cdx
csChFnd80/10101813242D

 36 39  0  0  0  0  0  0  0  0999 V2000
    4.2000    6.0137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.2000    3.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 33  2  0  0  0  0
 29 34  1  0  0  0  0
 32 35  2  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C27H32N2O6

>  <MolWeight> (117)
480.55278

>  <Item Name> (117)
Solifenacin succinate

>  <Catalog Number> (117)
S3048

>  <Synonyms> (117)
N/A

>  <Target> (117)
AChR

>  <Form> (117)
Succinate

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

>  <CAS Number> (117)
242478-38-2

$$$$
Besifloxacin HCl.cdx
csChFnd80/10101813242D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C19H22Cl2FN3O3

>  <MolWeight> (118)
430.3006832

>  <Item Name> (118)
Besifloxacin HCl (Besivance)

>  <Catalog Number> (118)
S3055

>  <Synonyms> (118)
N/A

>  <Target> (118)
Others

>  <Form> (118)
Hydrochloride

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

>  <CAS Number> (118)
405165-61-9

$$$$
Enrofloxacin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C19H22FN3O3

>  <MolWeight> (119)
359.3946832

>  <Item Name> (119)
Enrofloxacin

>  <Catalog Number> (119)
S3059

>  <Synonyms> (119)
N/A

>  <Target> (119)
Antifection

>  <Form> (119)
Free Base

>  <URL> (119)
http://www.selleckchem.com/products/enrofloxacin.html

>  <CAS Number> (119)
93106-60-6

$$$$
Hypoxanthine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (120)
120

>  <Formula> (120)
C5H4N4O

>  <MolWeight> (120)
136.11146

>  <Item Name> (120)
Hypoxanthine

>  <Catalog Number> (120)
S2424

>  <Synonyms> (120)
N/A

>  <Target> (120)
Others

>  <Form> (120)
Free Base

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

>  <CAS Number> (120)
68-94-0

$$$$
(R)-baclofen.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C10H12ClNO2

>  <MolWeight> (121)
213.66078

>  <Item Name> (121)
(R)-baclofen

>  <Catalog Number> (121)
S3072

>  <Synonyms> (121)
N/A

>  <Target> (121)
GABA Receptor

>  <Form> (121)
Free Base

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

>  <CAS Number> (121)
69308-37-8

$$$$
untitled.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (122)
122

>  <Formula> (122)
C21H46NO4P

>  <MolWeight> (122)
407.568001

>  <Item Name> (122)
Miltefosine (Hexadecylphosphocholine)

>  <Catalog Number> (122)
S3056

>  <Synonyms> (122)
N/A

>  <Target> (122)
Akt

>  <Form> (122)
Free Base

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

>  <CAS Number> (122)
58066-85-6

$$$$
L-NAME HCl.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (123)
123

>  <Formula> (123)
C7H16ClN5O4

>  <MolWeight> (123)
269.68604

>  <Item Name> (123)
L-NAME HCl

>  <Catalog Number> (123)
S2877

>  <Synonyms> (123)
N/A

>  <Target> (123)
NOS

>  <Form> (123)
Hydrochloride

>  <URL> (123)
http://www.selleckchem.com/products/l-name-hcl.html

>  <CAS Number> (123)
51298-62-5

$$$$
Ambroxol HCl.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (124)
124

>  <Formula> (124)
C13H19Br2ClN2O

>  <MolWeight> (124)
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>  <Item Name> (124)
Ambroxol HCl

>  <Catalog Number> (124)
S3064

>  <Synonyms> (124)
N/A

>  <Target> (124)
Sodium Channel

>  <Form> (124)
Hydrochloride

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

>  <CAS Number> (124)
23828-92-4

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/10101813242D

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  3  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
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 10 17  2  0  0  0  0
 11 18  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
 19 24  1  0  0  0  0
 14 19  1  0  0  0  0
  9 15  1  0  0  0  0
  3  9  1  0  0  0  0
 23 25  1  1  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C18H21N5O2

>  <MolWeight> (125)
339.39164

>  <Item Name> (125)
Alogliptin

>  <Catalog Number> (125)
S5365

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

$$$$
Hygromycin B.cdx
csChFnd80/10101813242D

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.1856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.4856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    7.1856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    8.5856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    9.2856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207   10.6808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.4881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.0929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6180    4.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5961    3.0122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7973    2.2933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0206    2.9741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0426    4.3740    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3451    2.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3451    4.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770    2.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    3.0502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7754    0.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2049    5.7596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8758    2.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2758    2.4221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9856    3.6402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2758    4.8583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8758    4.8583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1733    6.0637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9709    6.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3808    3.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9709    1.2125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3660    1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0612    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2709    0.0056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954    5.8333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5758    1.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.3784    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  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  6  0  0  0
  2  8  1  6  0  0  0
  5  9  1  1  0  0  0
  3 10  1  1  0  0  0
  4 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
 14 21  1  1  0  0  0
 21 22  1  0  0  0  0
 15 23  1  1  0  0  0
 17 24  1  6  0  0  0
 16 25  1  6  0  0  0
 19 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 19  1  0  0  0  0
 30 31  1  6  0  0  0
 29 32  1  1  0  0  0
 28 33  1  1  0  0  0
 27 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  6  0  0  0
  4 38  1  1  0  0  0
 27 39  1  6  0  0  0
  7 40  1  0  0  0  0
M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C20H37N3O13

>  <MolWeight> (126)
527.52008

>  <Item Name> (126)
Hygromycin B

>  <Catalog Number> (126)
S2908

>  <Synonyms> (126)
N/A

>  <Target> (126)
Antifection

>  <Form> (126)
Free Base

>  <URL> (126)
http://www.selleckchem.com/products/hygromycin-b.html

>  <CAS Number> (126)
31282-04-9

$$$$
NU7026.cdx
csChFnd80/10101813242D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.8637    4.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0788    4.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    2.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643    6.2946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315    2.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8618    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    2.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648    9.0856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560    6.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0724    6.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560    8.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0738    8.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    2.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  7  1  1  0  0  0  0
  2  3  1  0  0  0  0
  5  2  2  0  0  0  0
  8  2  1  0  0  0  0
  6  4  1  0  0  0  0
  9  5  1  0  0  0  0
  6  5  1  0  0  0  0
 10  6  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 12  9  2  0  0  0  0
 12 11  1  0  0  0  0
 19 11  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 19  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C17H15NO3

>  <MolWeight> (127)
281.3059

>  <Item Name> (127)
NU7026

>  <Catalog Number> (127)
S2893

>  <Synonyms> (127)
N/A

>  <Target> (127)
DNA-PK

>  <Form> (127)
Free Base

>  <URL> (127)
http://www.selleckchem.com/products/nu7026.html

>  <CAS Number> (127)
154447-35-5

$$$$
G-418 sulphate.cdx
csChFnd80/10101813242D

 44 44  0  0  0  0  0  0  0  0999 V2000
    8.3875    9.7952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6885    8.5845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7949    9.7952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992   10.9874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3044    8.5845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3833    7.3811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4983    8.5768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3097   10.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3981   12.1977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6035    7.3705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6044    9.7969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8223    8.9726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1735    7.2086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2066    7.3705    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2141    9.7969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8348    8.0165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1480   10.3443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1816    6.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5083    8.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5135    6.6632    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.1933    8.4226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1017    8.5800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1025    6.1521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2015    4.9425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9402    6.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7066    5.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5219    9.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3961    7.3580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4047    9.7871    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3997    4.9348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    9.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1020   10.9947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0015    1.6095    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9566    0.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0822    0.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9221    2.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167    2.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3454    1.0558    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3846    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2420    1.9338    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
  4  9  1  1  0  0  0
  4  8  1  0  0  0  0
  5 10  1  6  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  1  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  1  0  0  0
 12 16  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  0  0  0  0
 14 19  1  6  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  6  0  0  0
 18 21  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  6  0  0  0
 21 26  1  1  0  0  0
 21 27  1  6  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 23 30  1  1  0  0  0
 24 31  1  1  0  0  0
 24 29  1  0  0  0  0
 29 32  1  6  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  2  0  0  0  0
 35 39  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  2  0  0  0  0
 40 44  2  0  0  0  0
M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C20H44N4O18S2

>  <MolWeight> (128)
692.70936

>  <Item Name> (128)
Geneticin (G418 Sulfate)

>  <Catalog Number> (128)
S3028

>  <Synonyms> (128)
N/A

>  <Target> (128)
Antifection

>  <Form> (128)
Disulfate

>  <URL> (128)
http://www.selleckchem.com/products/geneticin-g418-sulfate.html

>  <CAS Number> (128)
108321-42-2

$$$$
Mozavaptan.cdx
csChFnd80/10101813242D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4019    7.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4019    8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5858    6.3541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010    6.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5520    9.5114    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2010    9.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5858    4.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334    6.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334    9.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3040   10.8419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    4.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4019    4.2454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5253    7.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072   11.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3414   11.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0554    4.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    4.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0554    2.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C27H29N3O2

>  <MolWeight> (129)
427.53806

>  <Item Name> (129)
Mozavaptan

>  <Catalog Number> (129)
S2920

>  <Synonyms> (129)
N/A

>  <Target> (129)
Others

>  <Form> (129)
Free Base

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

>  <CAS Number> (129)
137975-06-5

$$$$
Prazosin hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C19H22ClN5O4

>  <MolWeight> (130)
419.86208

>  <Item Name> (130)
Prazosin HCl

>  <Catalog Number> (130)
S1424

>  <Synonyms> (130)
Minipress,Vasoflex,Pressin and Hypovase

>  <Target> (130)
Others

>  <Form> (130)
Hydrochloride

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

>  <CAS Number> (130)
19237-84-4

$$$$
DEPEN (penicillamine).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C5H11NO2S

>  <MolWeight> (131)
149.21134

>  <Item Name> (131)
Penicillamine (Cuprimine)

>  <Catalog Number> (131)
S1853

>  <Synonyms> (131)
Depen, Distamine, D-Mercaptovaline, D-Penamine, Kuprenil

>  <Target> (131)
Others

>  <Form> (131)
Free Base

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

>  <CAS Number> (131)
52-67-5

$$$$
Sarafloxacin hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C20H18ClF2N3O3

>  <MolWeight> (132)
421.8250264

>  <Item Name> (132)
Sarafloxacin HCl

>  <Catalog Number> (132)
S1977

>  <Synonyms> (132)
N/A

>  <Target> (132)
Antifection

>  <Form> (132)
Hydrochloride

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

>  <CAS Number> (132)
91296-87-6

$$$$
LIQUID PRED (Lisinopril).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C21H31N3O5

>  <MolWeight> (133)
405.48794

>  <Item Name> (133)
Lisinopril (Zestril)

>  <Catalog Number> (133)
S2076

>  <Synonyms> (133)
Prinivil

>  <Target> (133)
RAAS

>  <Form> (133)
Free Base

>  <URL> (133)
http://www.selleckchem.com/products/lisinopril-zestril.html

>  <CAS Number> (133)
83915-83-7

$$$$
Fosinopril sodium.cdx
csChFnd80/10101813242D

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 18 19  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 16 27  1  0  0  0  0
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 30 16  1  0  0  0  0
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 31 34  2  0  0  0  0
 29 35  1  6  0  0  0
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 40 35  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C30H45NNaO7P

>  <MolWeight> (134)
585.644331

>  <Item Name> (134)
Fosinopril sodium (Monopril)

>  <Catalog Number> (134)
S2095

>  <Synonyms> (134)
N/A

>  <Target> (134)
RAAS

>  <Form> (134)
Sodium Salt

>  <URL> (134)
http://www.selleckchem.com/products/fosinopril-sodium-monopril.html

>  <CAS Number> (134)
88889-14-9

$$$$
Vinpocetine.cdx
csChFnd80/10101813242D

 27 31  0  0  0  0  0  0  0  0999 V2000
    1.2044    5.6025    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  6  2  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 13  9  1  0  0  0  0
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 14 15  2  0  0  0  0
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 14 20  1  0  0  0  0
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M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C22H26N2O2

>  <MolWeight> (135)
350.45404

>  <Item Name> (135)
Vinpocetine (Cavinton)

>  <Catalog Number> (135)
S2110

>  <Synonyms> (135)
N/A

>  <Target> (135)
Sodium Channel

>  <Form> (135)
Free Base

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

>  <CAS Number> (135)
42971-09-5

$$$$
Dichlorphenamide.cdx
csChFnd80/10101813242D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.3951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0951    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6331    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.1927    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
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  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (136)
136

>  <Formula> (136)
C6H6Cl2N2O4S2

>  <MolWeight> (136)
305.15884

>  <Item Name> (136)
Dichlorphenamide (Diclofenamide)

>  <Catalog Number> (136)
S2177

>  <Synonyms> (136)
Diclofenamide

>  <Target> (136)
Others

>  <Form> (136)
Free Base

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

>  <CAS Number> (136)
120-97-8

$$$$
Tobramycin.cdx
csChFnd80/10101813242D

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9077    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6953    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3326    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1202    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 13  8  1  0  0  0  0
 14 15  1  0  0  0  0
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  6 21  1  1  0  0  0
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 15 23  1  1  0  0  0
 19 24  1  1  0  0  0
 17 25  1  1  0  0  0
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 11 29  1  6  0  0  0
 13 30  1  6  0  0  0
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 25 33  1  0  0  0  0
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M  END
>  <Mol_ID> (137)
137

>  <Formula> (137)
C18H37N5O9

>  <MolWeight> (137)
467.51448

>  <Item Name> (137)
Tobramycin

>  <Catalog Number> (137)
S2514

>  <Synonyms> (137)
N/A

>  <Target> (137)
Antifection

>  <Form> (137)
Free Base

>  <URL> (137)
http://www.selleckchem.com/products/Tobramycin(free-base).html

>  <CAS Number> (137)
32986-56-4

$$$$
Vancomycin hydrochloride.cdx
csChFnd80/10101813242D

107115  0  0  0  0  0  0  0  0999 V2000
    1.2082   18.0736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000   18.7712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1207   19.9861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538   12.4761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    9.6809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (138)
138

>  <Formula> (138)
C66H76Cl3N9O24

>  <MolWeight> (138)
1485.71454

>  <Item Name> (138)
Vancomycin HCl (Vancocin)

>  <Catalog Number> (138)
S2575

>  <Synonyms> (138)
N/A

>  <Target> (138)
Antifection

>  <Form> (138)
HCl

>  <URL> (138)
http://www.selleckchem.com/products/vancomycin-hydrochloride-vancocin.html

>  <CAS Number> (138)
1404-93-9 

$$$$
Inulin.cdx
csChFnd80/10101813242D

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?n?
M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C12H22O11R

>  <MolWeight> (139)
342.29648

>  <Item Name> (139)
Inulin

>  <Catalog Number> (139)
S2609

>  <Synonyms> (139)
N/A

>  <Target> (139)
Others

>  <Form> (139)
Free Base

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

>  <CAS Number> (139)
9005-80-5

$$$$
RELENZA (zanamivir).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C12H20N4O7

>  <MolWeight> (140)
332.3098

>  <Item Name> (140)
Zanamivir (Relenza)

>  <Catalog Number> (140)
S3007

>  <Synonyms> (140)
139110-80-8

>  <Target> (140)
Antifection

>  <Form> (140)
Free Base

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

>  <CAS Number> (140)
139110-80-8

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C11H6F3NO2S

>  <MolWeight> (141)
273.2310496

>  <Item Name> (141)
SMI-4a

>  <Catalog Number> (141)
S8005

>  <Synonyms> (141)
N/A

>  <Target> (141)
Pim

>  <Form> (141)
Free Base

>  <URL> (141)
http://www.selleckchem.com/products/smi-4a.html

>  <CAS Number> (141)
438190-29-5

$$$$
SULFAPYRIDINE (sulfapyridine).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C11H11N3O2S

>  <MolWeight> (142)
249.28894

>  <Item Name> (142)
Sulfapyridine (Dagenan)

>  <Catalog Number> (142)
S1617

>  <Synonyms> (142)
Coccoclase, Eubasin, Eubasinum, Haptocil

>  <Target> (142)
Antifection

>  <Form> (142)
Free Base

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

>  <CAS Number> (142)
144-83-2

$$$$
RGD peptide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C12H22N6O6

>  <MolWeight> (143)
346.33968

>  <Item Name> (143)
RGD (Arg-Gly-Asp) Peptides

>  <Catalog Number> (143)
S8008

>  <Synonyms> (143)
Arginine-Glycine-Aspartic Acid

>  <Target> (143)
Integrase

>  <Form> (143)
Free Base

>  <URL> (143)
http://www.selleckchem.com/products/rgd-arg-gly-asp-peptides.html

>  <CAS Number> (143)
99896-85-2

$$$$
GSK2636771.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (144)
144

>  <Formula> (144)
C22H22F3N3O3

>  <MolWeight> (144)
433.4235896

>  <Item Name> (144)
GSK2636771

>  <Catalog Number> (144)
S8002

>  <Synonyms> (144)
N/A

>  <Target> (144)
PI3K

>  <Form> (144)
Free Base

>  <URL> (144)
http://www.selleckchem.com/products/gsk2636771.html

>  <CAS Number> (144)
1372540-25-4

$$$$
ACY-1215.cdx
csChFnd80/10101813242D

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IGF-1R

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196868-63-0

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Tenovin-1.cdx
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380315-80-0

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118409-57-7

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N/A

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5-HT Receptor

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Hydrobromide

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http://www.selleckchem.com/products/vortioxetine-lu-aa21004-hydrobromide.html

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960203-27-4

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PPAR

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317318-84-6

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N/A

>  <Target> (156)
5-HT Receptor

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Maleate

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http://www.selleckchem.com/products/prx-08066.html

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866206-55-5

$$$$
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Akt

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1143532-39-1

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$$$$
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FLT3

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Free Base

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>  <CAS Number> (159)
301305-73-7

$$$$
Plerixafor.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (160)
160

>  <Formula> (160)
C28H54N8

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502.78196

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Plerixafor

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S8030

>  <Synonyms> (160)
N/A

>  <Target> (160)
CXCR

>  <Form> (160)
Free Base

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

>  <CAS Number> (160)
110078-46-1

$$$$
NSC23766.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (161)
161

>  <Formula> (161)
C24H38Cl3N7

>  <MolWeight> (161)
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NSC 23766

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S8031

>  <Synonyms> (161)
N/A

>  <Target> (161)
Rac

>  <Form> (161)
HCl

>  <URL> (161)
http://www.selleckchem.com/products/nsc-23766.html

>  <CAS Number> (161)
1177865-17-6

$$$$
Pemirolast potassium.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (162)
162

>  <Formula> (162)
C10H7KN6O

>  <MolWeight> (162)
266.30048

>  <Item Name> (162)
Pemirolast (BMY 26517) potassium

>  <Catalog Number> (162)
S4008

>  <Synonyms> (162)
TWT-8152

>  <Target> (162)
Histamine Receptor

>  <Form> (162)
Potassium

>  <URL> (162)
http://www.selleckchem.com/products/pemirolast-bmy-26517-potassium.html

>  <CAS Number> (162)
100299-08-9

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (163)
163

>  <Formula> (163)
FNa2O3P

>  <MolWeight> (163)
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>  <Item Name> (163)
Sodium Monofluorophosphate

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>  <Synonyms> (163)
Sodium Fluorophosphate

>  <Target> (163)
Others
phosphatase

>  <Form> (163)
Disodium salt

>  <URL> (163)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

>  <CAS Number> (163)
10163-15-2

$$$$
IPI-145.cdx
csChFnd80/10101813242D

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N/A

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PI3K

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Free Base

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http://www.selleckchem.com/products/ipi-145-ink1197.html

>  <CAS Number> (164)
1201438-56-3

$$$$
UPF-1069.cdx
csChFnd80/10101813242D

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>  <Formula> (165)
C17H13NO3

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UPF 1069

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S8038 

>  <Synonyms> (165)
N/A

>  <Target> (165)
PARP

>  <Form> (165)
Free Base

>  <URL> (165)
http://www.selleckchem.com/products/upf-1069.html

>  <CAS Number> (165)
1048371-03-4

$$$$
Necrostatin-1.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (166)
166

>  <Formula> (166)
C13H13N3OS

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S8037 

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N/A

>  <Target> (166)
TNF-alpha

>  <Form> (166)
Free Base

>  <URL> (166)
http://www.selleckchem.com/products/necrostatin-1.html

>  <CAS Number> (166)
4311-88-0

$$$$
(+)-Bicuculline.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (167)
167

>  <Formula> (167)
C20H17NO6

>  <MolWeight> (167)
367.35208

>  <Item Name> (167)
(+)-Bicuculline

>  <Catalog Number> (167)
S7071

>  <Synonyms> (167)
D-Bicuculline

>  <Target> (167)
GABA Receptor

>  <Form> (167)
Free Base

>  <URL> (167)
http://www.selleckchem.com/products/bicuculline.html

>  <CAS Number> (167)
485-49-4

$$$$
N-Methyl-D-aspartic acid£¨NMDA£©.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (168)
168

>  <Formula> (168)
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S7072

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N/A

>  <Target> (168)
GluR

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Free Base

>  <URL> (168)
http://www.selleckchem.com/products/nmda-n-methyl-d-aspartic-acid.html

>  <CAS Number> (168)
6384-92-5

$$$$
netilmicin sulfate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (169)
169

>  <Formula> (169)
C42H92N10O34S5

>  <MolWeight> (169)
1441.55148

>  <Item Name> (169)
Netilmicin Sulfate

>  <Catalog Number> (169)
S4052

>  <Synonyms> (169)
N/A

>  <Target> (169)
Antifection

>  <Form> (169)
Sulfate

>  <URL> (169)
http://www.selleckchem.com/products/netilmicin-sulfate.html

>  <CAS Number> (169)
7664-93-9

$$$$
ABT-199.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (170)
170

>  <Formula> (170)
C45H50ClN7O7S

>  <MolWeight> (170)
868.4392

>  <Item Name> (170)
Venetoclax (ABT-199, GDC-0199)

>  <Catalog Number> (170)
S8048

>  <Synonyms> (170)
N/A

>  <Target> (170)
Bcl-2

>  <Form> (170)
Free Base

>  <URL> (170)
http://www.selleckchem.com/products/abt-199.html

>  <CAS Number> (170)
1257044-40-8

$$$$
Birinapant (TL32711).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (171)
171

>  <Formula> (171)
C42H56F2N8O6

>  <MolWeight> (171)
806.9408464

>  <Item Name> (171)
Birinapant (TL32711)

>  <Catalog Number> (171)
S7015

>  <Synonyms> (171)
N/A

>  <Target> (171)
Caspase

>  <Form> (171)
Free Base

>  <URL> (171)
http://www.selleckchem.com/products/birinapant-tl32711.html

>  <CAS Number> (171)
1260251-31-7

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (172)
172

>  <Formula> (172)
C26H21N3O3

>  <MolWeight> (172)
423.46324

>  <Item Name> (172)
IWR-1-endo

>  <Catalog Number> (172)
S7086

>  <Synonyms> (172)
IWR-1

>  <Target> (172)
Wnt/beta-catenin

>  <Form> (172)
Free Base

>  <URL> (172)
http://www.selleckchem.com/products/iwr-1-endo.html

>  <CAS Number> (172)
1127442-82-3

$$$$
EPZ-5676.cdx
csChFnd80/10101813242D

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M  CFW  24 BOND_GSTEREO 5
M  CFW  29 BOND_GSTEREO 5
M  END
>  <Mol_ID> (173)
173

>  <Formula> (173)
C30H42N8O3

>  <MolWeight> (173)
562.70628

>  <Item Name> (173)
Pinometostat (EPZ5676)

>  <Catalog Number> (173)
S7062

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N/A

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Histone Methyltransferase

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Free Base

>  <URL> (173)
http://www.selleckchem.com/products/epz-5676.html

>  <CAS Number> (173)
1380288-87-8

$$$$
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Proteasome

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BET

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1268524-70-4

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Histone Demethylase

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Hydrochloride

>  <URL> (178)
http://www.selleckchem.com/products/gsk-j4-hcl.html

>  <CAS Number> (178)
1373423-53-0(free base)

$$$$
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STAT

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Free Base

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>  <CAS Number> (179)
19983-44-9

$$$$
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P-gp

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>  <URL> (180)
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>  <CAS Number> (180)
206873-63-4

$$$$
WY 14643.cdx
csChFnd80/10101813242D

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PPAR

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50892-23-4

$$$$
Hexamethonium bromide.cdx
csChFnd80/10101813242D

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    0.0000    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.7725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.0725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.5994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0629    0.2066    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    9.9897    2.6944    0.0000 Br  0  5  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
  2  5  1  0  0  0  0
  3  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
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C12H30Br2N2

>  <MolWeight> (182)
362.188

>  <Item Name> (182)
Hexamethonium Dibromide

>  <Catalog Number> (182)
S4069

>  <Synonyms> (182)
N/A

>  <Target> (182)
AChR

>  <Form> (182)
Dibromide

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

>  <CAS Number> (182)
55-97-0

$$$$
GW2580.cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 N   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
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    4.1976    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
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   13.3115    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    0.7000    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
  2  8  1  0  0  0  0
  5  9  1  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 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  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
M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C20H22N4O3

>  <MolWeight> (183)
366.41368

>  <Item Name> (183)
GW2580

>  <Catalog Number> (183)
S8042

>  <Synonyms> (183)
N/A

>  <Target> (183)
CSF-1R

>  <Form> (183)
Free Base

>  <URL> (183)
http://www.selleckchem.com/products/gw2580.html

>  <CAS Number> (183)
870483-87-7

$$$$
Flavoxate HCL.cdx
csChFnd80/10101813242D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.3783    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    4.1883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    1.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    1.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3783   10.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302   11.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783   11.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   12.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5789    9.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 12  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
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
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 21 24  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C24H26ClNO4

>  <MolWeight> (184)
427.92054

>  <Item Name> (184)
Flavoxate HCl

>  <Catalog Number> (184)
S4027

>  <Synonyms> (184)
N/A

>  <Target> (184)
AChR

>  <Form> (184)
hydrochloride

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

>  <CAS Number> (184)
3717-88-2

$$$$
Butein.cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6599    3.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    3.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    5.6013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0837    3.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    5.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4364    1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2956    4.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9342    3.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9365    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7255    0.0000    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
  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
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  3  8  2  0  0  0  0
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  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C15H12O5

>  <MolWeight> (185)
272.25278

>  <Item Name> (185)
Butein

>  <Catalog Number> (185)
S8036

>  <Synonyms> (185)
N/A

>  <Target> (185)
EGFR

>  <Form> (185)
Free Base

>  <URL> (185)
https://www.selleckchem.com/products/butein.html

>  <CAS Number> (185)
487-52-5

$$$$
Mildronate.cdx
csChFnd80/10101813242D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1623    1.7725    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
    6.9621    1.7725    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  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C6H15N2O2+

>  <MolWeight> (186)
147.1955

>  <Item Name> (186)
Mildronate

>  <Catalog Number> (186)
S4130

>  <Synonyms> (186)
N/A

>  <Target> (186)
Hydroxylase

>  <Form> (186)
Free Base

>  <URL> (186)
https://www.selleckchem.com/products/mildronate.html

>  <CAS Number> (186)
76144-81-5

$$$$
Succinylcholine Chloride Dihydrate.cdx
csChFnd80/10101813242D

 24 19  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.7000    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
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8492    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (187)
187

>  <Formula> (187)
C14H34Cl2N2O6

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>  <Item Name> (187)
Succinylcholine Chloride Dihydrate

>  <Catalog Number> (187)
S4121

>  <Synonyms> (187)
Suxamethonium Chloride Dihydrate

>  <Target> (187)
AChR

>  <Form> (187)
Chloride

>  <URL> (187)
https://www.selleckchem.com/products/succinylcholine-suxamethonium-chloride-dihydrate.html

>  <CAS Number> (187)
6101-15-1

$$$$
Terbutaline sulfate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (188)
188

>  <Formula> (188)
C24H40N2O10S

>  <MolWeight> (188)
548.6468

>  <Item Name> (188)
Terbutaline Sulfate

>  <Catalog Number> (188)
S4127

>  <Synonyms> (188)
N/A

>  <Target> (188)
Adrenergic Receptor

>  <Form> (188)
Sulfate

>  <URL> (188)
https://www.selleckchem.com/products/terbutaline-sulfate.html

>  <CAS Number> (188)
23031-32-5 

$$$$
AMG-517.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (189)
189

>  <Formula> (189)
C20H13F3N4O2S

>  <MolWeight> (189)
430.4030296

>  <Item Name> (189)
AMG-517

>  <Catalog Number> (189)
S7115

>  <Synonyms> (189)
N/A

>  <Target> (189)
TRPV

>  <Form> (189)
Free Base

>  <URL> (189)
https://www.selleckchem.com/products/amg-517.html

>  <CAS Number> (189)
659730-32-2

$$$$
Macitentan(ACT-064992).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (190)
190

>  <Formula> (190)
C19H20Br2N6O4S

>  <MolWeight> (190)
588.2729

>  <Item Name> (190)
Macitentan

>  <Catalog Number> (190)
S8051

>  <Synonyms> (190)
ACT-064992

>  <Target> (190)
Endothelin Receptor

>  <Form> (190)
Free Base

>  <URL> (190)
https://www.selleckchem.com/products/macitentan.html

>  <CAS Number> (190)
441798-33-0

$$$$
Zebularine.cdx
csChFnd80/10101813242D

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191

>  <Formula> (191)
C9H12N2O5

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Zebularine

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S7113

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N/A

>  <Target> (191)
DNA Methyltransferase

>  <Form> (191)
Free Base

>  <URL> (191)
https://www.selleckchem.com/products/zebularine.html

>  <CAS Number> (191)
3690-10-6

$$$$
GSK3787.cdx
csChFnd80/10101813242D

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PPAR

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188591-46-0

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csChFnd80/10101813242D

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ATPase

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Free Base

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>  <CAS Number> (193)
856925-71-8

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mTOR

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1207360-89-1

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PARP

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1174043-16-3

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N/A

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MMP

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Free Base

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https://www.selleckchem.com/products/gm6001.html

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142880-36-2

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>  <Target> (207)
Histone Methyltransferase

>  <Form> (207)
Free Base

>  <URL> (207)
https://www.selleckchem.com/products/epz004777.html

>  <CAS Number> (207)
1338466-77-5

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HSP (e.g. HSP90)

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>  <URL> (208)
https://www.selleckchem.com/products/xl888.html

>  <CAS Number> (208)
1149705-71-4

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CDK

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HCl

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920113-03-7

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Src

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172889-26-8

$$$$
CGK 733.cdx
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ATM/ATR

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>  <URL> (211)
http://www.selleckchem.com/products/cgk-733.html

>  <CAS Number> (211)
905973-89-9

$$$$
Amprolium HCl.cdx
csChFnd80/10101813242D

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S4144

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N/A

>  <Target> (212)
Vitamin

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Hydrochloride

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

>  <CAS Number> (212)
137-88-2

$$$$
Bacitracin.cdx
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M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C65H101N17O16S

>  <MolWeight> (213)
1408.66674

>  <Item Name> (213)
Bacitracin

>  <Catalog Number> (213)
S4146

>  <Synonyms> (213)
N/A

>  <Target> (213)
Antifection

>  <Form> (213)
Free Base

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

>  <CAS Number> (213)
1405-87-4

$$$$
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>  <Mol_ID> (214)
214

>  <Formula> (214)
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>  <MolWeight> (214)
558.13514

>  <Item Name> (214)
Ceritinib (LDK378)

>  <Catalog Number> (214)
S7083

>  <Synonyms> (214)
N/A

>  <Target> (214)
ALK

>  <Form> (214)
Free Base

>  <URL> (214)
http://www.selleckchem.com/products/ldk378.html

>  <CAS Number> (214)
1032900-25-6

$$$$
LY2835219.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (215)
215

>  <Formula> (215)
C28H36F2N8O3S

>  <MolWeight> (215)
602.6990464

>  <Item Name> (215)
abemaciclib (LY2835219)

>  <Catalog Number> (215)
S7158

>  <Synonyms> (215)
N/A

>  <Target> (215)
CDK

>  <Form> (215)
Mesylate

>  <URL> (215)
http://www.selleckchem.com/products/ly2835219.html

>  <CAS Number> (215)
1231930-82-7

$$$$
ONX-0914 (PR-957).cdx
csChFnd80/10101813242D

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Proteasome

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Free Base

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960374-59-8

$$$$
TCID.cdx
csChFnd80/10101813242D

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UCH-L3 Inhibitor

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DUB

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30675-13-9

$$$$
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CDK

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220036-08-8

$$$$
IU1.cdx
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Proteasome

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Free Base

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314245-33-5

$$$$
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>  <URL> (220)
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304909-07-7

$$$$
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 30 31  1  0  0  0  0
 31 35  1  0  0  0  0
 33 36  1  0  0  0  0
A   39
3.5H2O
M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C18H16N8Na2O7RS3

>  <MolWeight> (221)
598.54358

>  <Item Name> (221)
Ceftriaxone Sodium Trihydrate

>  <Catalog Number> (221)
S4158

>  <Synonyms> (221)
N/A

>  <Target> (221)
Antifection

>  <Form> (221)
Free Base

>  <URL> (221)
http://www.selleckchem.com/products/ceftriaxone-sodium-trihydrate.html

>  <CAS Number> (221)
104376-79-6

$$$$
Chloroquine phosphate.cdx
csChFnd80/10101813242D

 32 31  0  0  0  0  0  0  0  0999 V2000
    3.6275    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    4.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459    3.3982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    3.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    7.5865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.0927    0.0000 C   0  0  0  0  0  0  0  0  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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  3  7  2  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
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
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 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C18H32ClN3O8P2

>  <MolWeight> (222)
515.862502

>  <Item Name> (222)
Chloroquine Phosphate

>  <Catalog Number> (222)
S4157

>  <Synonyms> (222)
N/A

>  <Target> (222)
Others

>  <Form> (222)
Diphosphate

>  <URL> (222)
http://www.selleckchem.com/products/chloroquine-phosphate.html

>  <CAS Number> (222)
50-63-5

$$$$
Chlortetracycline HCl.cdx
csChFnd80/10101813242D

 35 37  0  0  0  0  0  0  0  0999 V2000
    7.2888    5.8848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2888    4.4798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5023    6.5653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0863    6.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2888    3.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7155    5.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    7.9653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    5.8848    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 13 20  1  0  0  0  0
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 28 30  2  0  0  0  0
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 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C22H24Cl2N2O8

>  <MolWeight> (223)
515.34056

>  <Item Name> (223)
Chlortetracycline HCl

>  <Catalog Number> (223)
S4156

>  <Synonyms> (223)
N/A

>  <Target> (223)
Antifection

>  <Form> (223)
Hydrochloride

>  <URL> (223)
http://www.selleckchem.com/products/chlortetracycline-hcl.html

>  <CAS Number> (223)
64-72-2

$$$$
Eprazinone 2HCl.cdx
csChFnd80/10101813242D

 30 30  0  0  0  0  0  0  0  0999 V2000
   12.8251    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.8251    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4002    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4624    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4002    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251   11.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0375   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2499   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2499   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4624   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4624   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6748   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6748   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7561   25.7492    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   25.7492    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  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
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  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
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 20 22  1  0  0  0  0
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 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
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 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C24H34Cl2N2O2

>  <MolWeight> (224)
453.44496

>  <Item Name> (224)
Eprazinone 2HCl

>  <Catalog Number> (224)
S4137

>  <Synonyms> (224)
N/A

>  <Target> (224)
Free Base

>  <Form> (224)
HCl

>  <URL> (224)
http://www.selleckchem.com/products/eprazinone-2hcl.html

>  <CAS Number> (224)
10402-53-6

$$$$
Sodium gluconate.cdx
csChFnd80/10101813242D

 14 12  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  1  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
    6.0622    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   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
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
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  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C6H11NaO7

>  <MolWeight> (225)
218.13711

>  <Item Name> (225)
Sodium Gluconate

>  <Catalog Number> (225)
S4174

>  <Synonyms> (225)
N/A

>  <Target> (225)
Others

>  <Form> (225)
Sodium salt

>  <URL> (225)
http://www.selleckchem.com/products/sodium-gluconate.html

>  <CAS Number> (225)
527-07-1

$$$$
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331244-89-4

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EGFR

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1375465-09-0

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2645-32-1

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Wnt/beta-catenin

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$$$$
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Antifection

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http://www.selleckchem.com/products/capreomycin-sulfate.html

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1405-37-4

$$$$
D-Phenylalanine.cdx
csChFnd80/10101813242D

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673-06-3

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csChFnd80/10101813242D

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23327-57-3

$$$$
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1402836-58-1

$$$$
Paromomycin Sulfate.cdx
csChFnd80/10101813242D

 50 52  0  0  0  0  0  0  0  0999 V2000
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   10.9519    1.3746    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.3374    0.9165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6865    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
  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  1  0  0  0
  2  8  1  1  0  0  0
  1  9  1  6  0  0  0
  3 10  1  6  0  0  0
  4 11  1  6  0  0  0
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 11 13  1  0  0  0  0
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 22 24  1  0  0  0  0
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 28 24  1  0  0  0  0
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 25 30  1  1  0  0  0
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 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
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 38 40  1  1  0  0  0
 40 41  1  0  0  0  0
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 35 43  1  1  0  0  0
 36 44  1  6  0  0  0
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 46 48  2  0  0  0  0
 46 49  1  0  0  0  0
 46 50  1  0  0  0  0
M  END
>  <Mol_ID> (241)
241

>  <Formula> (241)
C23H47N5O18S

>  <MolWeight> (241)
713.70698

>  <Item Name> (241)
Paromomycin Sulfate

>  <Catalog Number> (241)
S4183

>  <Synonyms> (241)
N/A

>  <Target> (241)
Antifection

>  <Form> (241)
Sulfate

>  <URL> (241)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (241)
1263-89-4

$$$$

csChFnd80/10101813242D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.4438    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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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (242)
242

>  <Formula> (242)
C26H24N6O4S

>  <MolWeight> (242)
516.57156

>  <Item Name> (242)
Proflavine Hemisulfate

>  <Catalog Number> (242)
S4236

>  <Synonyms> (242)
N/A

>  <Target> (242)
Antifection

>  <Form> (242)
Sulfate

>  <URL> (242)
http://www.selleckchem.com/products/proflavine-hemisulfate.html

>  <CAS Number> (242)
1811-28-5

$$$$
Sodium ascorbate.cdx
csChFnd80/10101813242D

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.5442    4.2732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.1326    4.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7632    5.6559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5613    0.0000    0.0000 Na  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
  4  6  2  0  0  0  0
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  1  9  1  0  0  0  0
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 10 11  1  0  0  0  0
  9 12  1  6  0  0  0
  1 13  1  6  0  0  0
M  END
>  <Mol_ID> (243)
243

>  <Formula> (243)
C6H10NaO6

>  <MolWeight> (243)
201.12977

>  <Item Name> (243)
Sodium ascorbate

>  <Catalog Number> (243)
S4245

>  <Synonyms> (243)
N/A

>  <Target> (243)
Vitamin

>  <Form> (243)
Sodium Salt

>  <URL> (243)
http://www.selleckchem.com/products/sodium-ascorbate.html

>  <CAS Number> (243)
134-03-2

$$$$
Bismuth subcitrate potassium.cdx
csChFnd80/10101813242D

 32 24  0  0  0  0  0  0  0  0999 V2000
    8.5664    2.9021    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7788    3.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7788    4.9972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1953    3.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995    2.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5476    3.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5341    4.2263    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.9086    1.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995    0.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870    0.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 30  1  0  0  0  0
 30 23  1  0  0  0  0
 24 31  2  0  0  0  0
 24 32  1  0  0  0  0
M  END
>  <Mol_ID> (244)
244

>  <Formula> (244)
C12H10BiK5O14+2

>  <MolWeight> (244)
782.67128

>  <Item Name> (244)
Bismuth Subcitrate Potassium

>  <Catalog Number> (244)
S4093

>  <Synonyms> (244)
N/A

>  <Target> (244)
Antifection

>  <Form> (244)
Potassium salt

>  <URL> (244)
http://www.selleckchem.com/products/bismuth-subcitrate-potassium.html

>  <CAS Number> (244)
880149-29-1

$$$$
Clodronate disodium.cdx
csChFnd80/10101813242D

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    4.8849    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2937    2.1740    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.5053    2.1740    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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    7.4634    2.9433    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6693    1.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2053    3.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    2.9433    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0275    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.1463    2.9543    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  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  3 11  1  0  0  0  0
M  END
>  <Mol_ID> (245)
245

>  <Formula> (245)
CH2Cl2Na2O6P2

>  <MolWeight> (245)
288.856042

>  <Item Name> (245)
Clodronate Disodium

>  <Catalog Number> (245)
S4108

>  <Synonyms> (245)
N/A

>  <Target> (245)
Others

>  <Form> (245)
Disodium salt

>  <URL> (245)
http://www.selleckchem.com/products/clodronate-disodium.html

>  <CAS Number> (245)
22560-50-5, 10596-23-3(free base)

$$$$
Colistin sulfate.cdx
csChFnd80/10101813242D

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1264-72-8

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p97

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177355-84-9

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M  END
>  <Mol_ID> (249)
249

>  <Formula> (249)
C21H25N5O4S

>  <MolWeight> (249)
443.5193

>  <Item Name> (249)
Pevonedistat (MLN4924)

>  <Catalog Number> (249)
S7109

>  <Synonyms> (249)
N/A

>  <Target> (249)
E1 Activating

>  <Form> (249)
Free Base

>  <URL> (249)
http://www.selleckchem.com/products/mln-4924.html

>  <CAS Number> (249)
905579-51-3

$$$$
E-64.cdx
csChFnd80/10101813242D

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 10  6  1  1  0  0  0
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M  END
>  <Mol_ID> (250)
250

>  <Formula> (250)
C15H27N5O5

>  <MolWeight> (250)
357.40538

>  <Item Name> (250)
E-64

>  <Catalog Number> (250)
S7379

>  <Synonyms> (250)
N/A

>  <Target> (250)
Cysteine Protease

>  <Form> (250)
Free Base

>  <URL> (250)
http://www.selleckchem.com/products/e-64.html

>  <CAS Number> (250)
66701-25-5

$$$$
PYR 41.cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (251)
251

>  <Formula> (251)
C17H13N3O7

>  <MolWeight> (251)
371.30102

>  <Item Name> (251)
PYR-41

>  <Catalog Number> (251)
S7129

>  <Synonyms> (251)
N/A

>  <Target> (251)
E1 Activating

>  <Form> (251)
Free Base

>  <URL> (251)
http://www.selleckchem.com/products/pyr-41.html

>  <CAS Number> (251)
418805-02-4

$$$$
Ribostamycin Sulfate.cdx
csChFnd80/10101813242D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (252)
252

>  <Formula> (252)
C17H36N4O14S

>  <MolWeight> (252)
552.55114

>  <Item Name> (252)
Ribostamycin Sulfate

>  <Catalog Number> (252)
S4215

>  <Synonyms> (252)
N/A

>  <Target> (252)
Antifection

>  <Form> (252)
Sulfate

>  <URL> (252)
http://www.selleckchem.com/products/ribostamycin-sulfate.html

>  <CAS Number> (252)
53797-35-6

$$$$
tetramisole hydrochloride.cdx
csChFnd80/10101813242D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (253)
253

>  <Formula> (253)
C11H13ClN2S

>  <MolWeight> (253)
240.75232

>  <Item Name> (253)
Tetramisole HCl

>  <Catalog Number> (253)
S4094

>  <Synonyms> (253)
N/A

>  <Target> (253)
Antifection

>  <Form> (253)
Hydrochloride

>  <URL> (253)
http://www.selleckchem.com/products/tetramisole-hcl.html

>  <CAS Number> (253)
5086-74-8, 5036-02-2(free base)

$$$$
Vitamin A palmitate.cdx
csChFnd80/10101813242D

 38 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4333    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9191    6.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3452    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  5  9  1  0  0  0  0
  4 10  1  0  0  0  0
  9 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
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 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 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
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (254)
254

>  <Formula> (254)
C36H60O2

>  <MolWeight> (254)
524.8604

>  <Item Name> (254)
Vitamin A Palmitate

>  <Catalog Number> (254)
S4126

>  <Synonyms> (254)
N/A

>  <Target> (254)
Others

>  <Form> (254)
Free Base

>  <URL> (254)
http://www.selleckchem.com/products/vitamin-a-palmitate.html

>  <CAS Number> (254)
79-81-2 

$$$$
Bromosporine.cdx
csChFnd80/10101813242D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    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 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.4000    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
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  2  0  0  0  0
  7 14  2  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  2  0  0  0  0
 18  7  1  0  0  0  0
 15 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 16  2  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (255)
255

>  <Formula> (255)
C17H20N6O4S

>  <MolWeight> (255)
404.4435

>  <Item Name> (255)
Bromosporine

>  <Catalog Number> (255)
S7233

>  <Synonyms> (255)
N/A

>  <Target> (255)
Epigenetic Reader Domain

>  <Form> (255)
Free Base

>  <URL> (255)
http://www.selleckchem.com/products/bromosporine.html

$$$$
14028-44-5.cdx
csChFnd80/10101813242D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.6188    3.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  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 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
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 10 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
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M  END
>  <Mol_ID> (256)
256

>  <Formula> (256)
C17H16ClN3O

>  <MolWeight> (256)
313.78144

>  <Item Name> (256)
Amoxapine

>  <Catalog Number> (256)
S4218

>  <Synonyms> (256)
N/A

>  <Target> (256)
GlyT

>  <Form> (256)
Free Base

>  <URL> (256)
http://www.selleckchem.com/products/amoxapine.html

>  <CAS Number> (256)
14028-44-5

$$$$
S4971 Buparvaquone.cdx
csChFnd80/10101813242D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4229    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    2.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5768    4.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    4.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  1  0  0  0  0
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 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (257)
257

>  <Formula> (257)
C21H26O3

>  <MolWeight> (257)
326.42934

>  <Item Name> (257)
Buparvaquone

>  <Catalog Number> (257)
S4971

>  <Synonyms> (257)
Butalex

>  <Target> (257)
Anti-infection

>  <Form> (257)
free base

>  <URL> (257)
http://selleckchem.com/products/buparvaquone.html

>  <CAS Number> (257)
88426-33-9

$$$$
Minocycline hydrochloride.cdx
csChFnd80/10101813242D

 36 38  0  0  0  0  0  0  0  0999 V2000
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http://www.selleckchem.com/products/minocycline-hcl.html

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13614-98-7

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MMP

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7497-07-6

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GSK-3

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612487-72-6

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DNA Methyltransferase

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192441-08-0

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71555-25-4

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>  <Mol_ID> (263)
263

>  <Formula> (263)
C21H43N5O15S

>  <MolWeight> (263)
637.65562

>  <Item Name> (263)
Apramycin Sulfate

>  <Catalog Number> (263)
S4254

>  <Synonyms> (263)
N/A

>  <Target> (263)
Antifection

>  <Form> (263)
Sulfate

>  <URL> (263)
http://www.selleckchem.com/products/apramycin-sulfate.html

>  <CAS Number> (263)
65710-07-8

$$$$
EPZ005687.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (264)
264

>  <Formula> (264)
C32H37N5O3

>  <MolWeight> (264)
539.66788

>  <Item Name> (264)
EPZ005687

>  <Catalog Number> (264)
S7004

>  <Synonyms> (264)
N/A

>  <Target> (264)
Histone Methyltransferase

>  <Form> (264)
Free Base

>  <URL> (264)
http://www.selleckchem.com/products/epz005687.html

>  <CAS Number> (264)
1396772-26-1

$$$$
AZD3514.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (265)
265

>  <Formula> (265)
C25H32F3N7O2

>  <MolWeight> (265)
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>  <Item Name> (265)
AZD3514

>  <Catalog Number> (265)
S7040

>  <Synonyms> (265)
N/A

>  <Target> (265)
Androgen Receptor

>  <Form> (265)
Free Base

>  <URL> (265)
http://www.selleckchem.com/products/azd3514.html

>  <CAS Number> (265)
1240299-33-5

$$$$
PD123319.cdx
csChFnd80/10101813242D

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RAAS

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130663-39-7

$$$$
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SphK-I2, Sphingosine Kinase Inhibitor 2

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S1P Receptor

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Free Base

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http://www.selleckchem.com/products/ski-ii.html

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312636-16-1

$$$$
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N/A

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PPAR¦Ä

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free base

>  <URL> (268)
http://selleckchem.com/products/.html

>  <CAS Number> (268)
317318-70-0

$$$$
CEPHALEXIN (cephalexin).cdx
csChFnd80/10101813242D

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C16H17N3O4S

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Cephalexin (Cefalexin)

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Cefalexin, Alcephin, Cefablan, keflex,Cefadin, Tepaxin

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Antifection

>  <Form> (269)
Free Base

>  <URL> (269)
http://www.selleckchem.com/products/Cephalexin-(Cefalexin).html

>  <CAS Number> (269)
15686-71-2

$$$$
purmorphamine.cdx
csChFnd80/10101813242D

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Hedgehog/Smoothened

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Free Base

>  <URL> (270)
http://www.selleckchem.com/products/purmorphamine.html

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483367-10-8

$$$$
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MEK

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Free Base

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http://www.selleckchem.com/products/mek162.html

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606143-89-9

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BFA

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ATPase

>  <Form> (272)
Free Base

>  <URL> (272)
http://www.selleckchem.com/products/brefeldin-a.html

>  <CAS Number> (272)
20350-15-6

$$$$
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Liver X Receptor

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http://www.selleckchem.com/products/t0901317.html

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293754-55-9

$$$$
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P-gp

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Free Base

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http://www.selleckchem.com/products/sc144.html

>  <CAS Number> (275)
895158-95-9

$$$$
TIC10.cdx
csChFnd80/10101813242D

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276

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C24H26N4O

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386.48944

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TIC10 analogue

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S7127

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TRAIL-inducing Compound 10

>  <Target> (276)
Akt

>  <Form> (276)
Free Base

>  <URL> (276)
http://www.selleckchem.com/products/tic10.html

>  <CAS Number> (276)
41276-02-2

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/10101813242D

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277

>  <Formula> (277)
C22H22ClN5O2

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I-BET-762

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S7189

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GSK525762, GSK525762A

>  <Target> (277)
Epigenetic Reader Domain

>  <Form> (277)
Free Base

>  <URL> (277)
http://www.selleckchem.com/products/i-bet-762.html

>  <CAS Number> (277)
1260907-17-2

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/10101813242D

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278

>  <Formula> (278)
C16H10BrN3O2

>  <MolWeight> (278)
356.1735

>  <Item Name> (278)
BIO

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S7198

>  <Synonyms> (278)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (278)
GSK-3

>  <Form> (278)
Free Base

>  <URL> (278)
http://www.selleckchem.com/products/bio.html

>  <CAS Number> (278)
667463-62-9

$$$$
Fosbretabulin disodium (Combretastatin A-4 phosphate disodium, CA4P disodium).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (279)
279

>  <Formula> (279)
C18H19Na2O8P

>  <MolWeight> (279)
440.291961

>  <Item Name> (279)
Fosbretabulin (Combretastatin A4 Phosphate, 

>  <Catalog Number> (279)
S7204

>  <Synonyms> (279)
N/A

>  <Target> (279)
Microtubule Associated

>  <Form> (279)
Disodium salt

>  <URL> (279)
http://www.selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-dis

>  <CAS Number> (279)
168555-66-6

$$$$
Thiamet G.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (285)
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C21H23N7O3S

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AZD2858

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S7253

>  <Synonyms> (285)
N/A

>  <Target> (285)
GSK-3

>  <Form> (285)
Free Base

>  <URL> (285)
http://www.selleckchem.com/products/azd2858.html

>  <CAS Number> (285)
486424-20-8

$$$$
¦Â-Lapachone (ARQ-501).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (286)
286

>  <Formula> (286)
C15H14O3

>  <MolWeight> (286)
242.26986

>  <Item Name> (286)
Beta-Lapachone

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S7261

>  <Synonyms> (286)
¦Â-Lapachone, ARQ-501

>  <Target> (286)
Topoisomerase

>  <Form> (286)
Free Base

>  <URL> (286)
http://www.selleckchem.com/products/beta-lapachone.html

>  <CAS Number> (286)
4707-32-8

$$$$
ZM39923 HCl.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (287)
287

>  <Formula> (287)
C23H26ClNO

>  <MolWeight> (287)
367.91164

>  <Item Name> (287)
ZM 39923 HCl

>  <Catalog Number> (287)
S8004

>  <Synonyms> (287)
N/A

>  <Target> (287)
JAK

>  <Form> (287)
HCl

>  <URL> (287)
http://www.selleckchem.com/products/zm-39923-hcl.html

>  <CAS Number> (287)
1021868-92-7

$$$$
dynasore .cdx
csChFnd80/10101813242D

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>  <Mol_ID> (288)
288

>  <Formula> (288)
C18H14N2O4

>  <MolWeight> (288)
322.31476

>  <Item Name> (288)
Dynasore

>  <Catalog Number> (288)
S8047

>  <Synonyms> (288)
N/A

>  <Target> (288)
Dynamin

>  <Form> (288)
Free Base

>  <URL> (288)
http://www.selleckchem.com/products/dynasore.html

>  <CAS Number> (288)
304448-55-3

$$$$
PluriSln 1(NSC 14613).cdx
csChFnd80/10101813242D

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289

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C12H11N3O

>  <MolWeight> (289)
213.23524

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PluriSIn #1 (NSC 14613)

>  <Catalog Number> (289)
S8076

>  <Synonyms> (289)
N/A

>  <Target> (289)
Dehydrogenase

>  <Form> (289)
Free Base

>  <URL> (289)
http://www.selleckchem.com/products/PluriSIn-1-nsc-14613.html

>  <CAS Number> (289)
91396-88-2

$$$$
SGC 0946.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (290)
290

>  <Formula> (290)
C28H40BrN7O4

>  <MolWeight> (290)
618.5657

>  <Item Name> (290)
SGC 0946

>  <Catalog Number> (290)
S7079

>  <Synonyms> (290)
N/A

>  <Target> (290)
Histone Methyltransferase

>  <Form> (290)
Free Base

>  <URL> (290)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Erastin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C30H31ClN4O4

>  <MolWeight> (291)
547.04454

>  <Item Name> (291)
Erastin

>  <Catalog Number> (291)
S7242

>  <Synonyms> (291)
N/A

>  <Target> (291)
Ferroptosis

>  <Form> (291)
Free Base

>  <URL> (291)
http://www.selleckchem.com/products/erastin.html

>  <CAS Number> (291)
571203-78-6

$$$$
RAD51 inhibitor RI-1.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C14H11Cl3N2O3

>  <MolWeight> (292)
361.60774

>  <Item Name> (292)
RI-1

>  <Catalog Number> (292)
S8077

>  <Synonyms> (292)
RAD51 inhibitor 1

>  <Target> (292)
Others

>  <Form> (292)
Free Base

>  <URL> (292)
http://www.selleckchem.com/products/ri-1.html

>  <CAS Number> (292)
415713-60-9

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (293)
293

>  <Formula> (293)
C26H27N5O5S2

>  <MolWeight> (293)
553.65308

>  <Item Name> (293)
Ro 31-8220 Mesylate

>  <Catalog Number> (293)
S7207

>  <Synonyms> (293)
Bisindolylmaleimide IX Mesylate

>  <Target> (293)
PKC

>  <Form> (293)
Mesylate

>  <URL> (293)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

>  <CAS Number> (293)
138489-18-6

$$$$
AZD1981.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (294)
294

>  <Formula> (294)
C19H17ClN2O3S

>  <MolWeight> (294)
388.86788

>  <Item Name> (294)
AZD1981

>  <Catalog Number> (294)
S7263

>  <Synonyms> (294)
N/A

>  <Target> (294)
GPR

>  <Form> (294)
Free Base

>  <URL> (294)
http://www.selleckchem.com/products/azd1981.html

>  <CAS Number> (294)
802904-66-1

$$$$
Bardoxolone Methyl.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (295)
295

>  <Formula> (295)
C32H43NO4

>  <MolWeight> (295)
505.68812

>  <Item Name> (295)
Bardoxolone Methyl

>  <Catalog Number> (295)
S8078

>  <Synonyms> (295)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (295)
I¦ÊB/IKK

>  <Form> (295)
Free Base

>  <URL> (295)
http://www.selleckchem.com/products/bardoxolone-methyl.html

>  <CAS Number> (295)
218600-53-4

$$$$
CZC24832.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (296)
296

>  <Formula> (296)
C15H17FN6O2S

>  <MolWeight> (296)
364.3978832

>  <Item Name> (296)
CZC24832

>  <Catalog Number> (296)
S7018

>  <Synonyms> (296)
N/A

>  <Target> (296)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (296)
Free Base

>  <URL> (296)
http://www.selleckchem.com/products/czc24832.html

>  <CAS Number> (296)
1159824-67-5

$$$$
SGI-1027.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (297)
297

>  <Formula> (297)
C27H23N7O

>  <MolWeight> (297)
461.51782

>  <Item Name> (297)
SGI-1027

>  <Catalog Number> (297)
S7276

>  <Synonyms> (297)
DNA Methyltransferase Inhibitor II

>  <Target> (297)
DNA Methyltransferase

>  <Form> (297)
Free Base

>  <URL> (297)
http://www.selleckchem.com/products/sgi-1027.html

>  <CAS Number> (297)
1020149-73-8

$$$$
SRPIN340.cdx
csChFnd80/10101813242D

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>  <CAS Number> (298)
218156-96-8

$$$$
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>  <Target> (299)
mTOR

>  <Form> (299)
Free Base

>  <URL> (299)
http://www.selleckchem.com/products/etp-46464.html

>  <CAS Number> (299)
1345675-02-6

$$$$
Golgicide A.cdx
csChFnd80/10101813242D

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>  <Target> (300)
ATPase

>  <Form> (300)
Free Base

>  <URL> (300)
http://www.selleckchem.com/products/golgicide-a.html

>  <CAS Number> (300)
1139889-93-2

$$$$
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mTOR

>  <Form> (301)
Free Base

>  <URL> (301)
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>  <CAS Number> (301)
1251156-08-7

$$$$
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302

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Rociletinib (CO-1686, AVL-301)

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S7284

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CNX-419, AVL-301

>  <Target> (302)
EGFR

>  <Form> (302)
Free Base

>  <URL> (302)
http://www.selleckchem.com/products/co-1686.html

>  <CAS Number> (302)
1374640-70-6

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/10101813242D

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303

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C24H27Cl2N5O

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Dorsomorphin (Compound C) 2HCl

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S7306

>  <Synonyms> (303)
BML-275,Compound C

>  <Target> (303)
AMPK

>  <Form> (303)
Dihydrochloride

>  <URL> (303)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

>  <CAS Number> (303)
1219168-18-9

$$$$
EHop-016.cdx
csChFnd80/10101813242D

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304

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C25H30N6O

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Rac

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Free Base

>  <URL> (304)
http://www.selleckchem.com/products/ehop-016.html

>  <CAS Number> (304)
1380432-32-5

$$$$
KPT-185.cdx
csChFnd80/10101813242D

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CRM1

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Free Base

>  <URL> (305)
http://www.selleckchem.com/products/kpt-185.html

>  <CAS Number> (305)
1333151-73-7

$$$$
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csChFnd80/10101813242D

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M  END
>  <Mol_ID> (306)
306

>  <Formula> (306)
C16H10F8N4O

>  <MolWeight> (306)
426.2640256

>  <Item Name> (306)
KPT-276

>  <Catalog Number> (306)
S7251

>  <Synonyms> (306)
N/A

>  <Target> (306)
CRM1

>  <Form> (306)
Free Base

>  <URL> (306)
http://www.selleckchem.com/products/kpt-276.html

>  <CAS Number> (306)
1421919-75-6

$$$$
Skepinone-L.cdx
csChFnd80/10101813242D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (307)
307

>  <Formula> (307)
C24H21F2NO4

>  <MolWeight> (307)
425.4246464

>  <Item Name> (307)
Skepinone-L

>  <Catalog Number> (307)
S7214

>  <Synonyms> (307)
N/A

>  <Target> (307)
p38 MAPK

>  <Form> (307)
Free Base

>  <URL> (307)
http://www.selleckchem.com/products/skepinone-l.html

>  <CAS Number> (307)
1221485-83-1

$$$$
Aceclidine Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C9H16ClNO2

>  <MolWeight> (308)
205.68184

>  <Item Name> (308)
Aceclidine Hydrochloride

>  <Catalog Number> (308)
S4301

>  <Synonyms> (308)
N/A

>  <Target> (308)
Others

>  <Form> (308)
Hydrochloride

>  <URL> (308)
http://www.selleckchem.com/products/atenolol.html

>  <CAS Number> (308)
56715-13-0

$$$$
aminacrine.cdx
csChFnd80/10101813242D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C13H10N2

>  <MolWeight> (309)
194.2319

>  <Item Name> (309)
9-Aminoacridine
9-Aminoacridine
Aminoacrid

>  <Catalog Number> (309)
S4303

>  <Synonyms> (309)
Aminacrine

>  <Target> (309)
Others

>  <Form> (309)
Free Base

>  <URL> (309)
http://www.selleckchem.com/products/9-aminoacridine.html

>  <CAS Number> (309)
90-45-9

$$$$
anisindione.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C16H12O3

>  <MolWeight> (310)
252.26468

>  <Item Name> (310)
anisindione

>  <Catalog Number> (310)
S4304

>  <Synonyms> (310)
N/A

>  <Target> (310)
Others

>  <Form> (310)
Free Base

>  <URL> (310)
http://www.selleckchem.com/products/anisindione.html

>  <CAS Number> (310)
117-37-3

$$$$
>  <Mol_ID> (311)
311

>  <Item Name> (311)
anisotropine methylbromide

>  <Catalog Number> (311)
S4305

>  <Synonyms> (311)
N/A

>  <Target> (311)
Others

>  <Form> (311)
methylbromide

>  <URL> (311)
http://www.selleckchem.com/products/anisotropine-methylbromide.html

>  <CAS Number> (311)
80-50-2

$$$$
bendroflumethiazide.cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C15H14F3N3O4S2

>  <MolWeight> (312)
421.4145696

>  <Item Name> (312)
bendroflumethiazide

>  <Catalog Number> (312)
S4387

>  <Synonyms> (312)
Bendrofluazide

>  <Target> (312)
Others

>  <Form> (312)
Free Base

>  <URL> (312)
http://www.selleckchem.com/products/bendroflumethiazide.html

>  <CAS Number> (312)
73-48-3

$$$$
bentiromide.cdx
csChFnd80/10101813242D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C23H20N2O5

>  <MolWeight> (313)
404.4153

>  <Item Name> (313)
bentiromide

>  <Catalog Number> (313)
S4388

>  <Synonyms> (313)
N/A

>  <Target> (313)
Others

>  <Form> (313)
Free Base

>  <URL> (313)
http://www.selleckchem.com/products/bentiromide.html

>  <CAS Number> (313)
37106-97-1

$$$$
benzthiazide.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (314)
314

>  <Formula> (314)
C15H14ClN3O4S3

>  <MolWeight> (314)
431.93736

>  <Item Name> (314)
benzthiazide

>  <Catalog Number> (314)
S4308

>  <Synonyms> (314)
Benzothiazide

>  <Target> (314)
Others

>  <Form> (314)
Free Base

>  <URL> (314)
http://www.selleckchem.com/products/benzthiazide.html

>  <CAS Number> (314)
91-33-8

$$$$
bephenium hydroxynaphthoate.cdx
csChFnd80/10101813242D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (315)
315

>  <Formula> (315)
C28H29NO4

>  <MolWeight> (315)
443.53416

>  <Item Name> (315)
bephenium hydroxynaphthoate

>  <Catalog Number> (315)
S4389

>  <Synonyms> (315)
N/A

>  <Target> (315)
Others

>  <Form> (315)
hydroxynaphthoa

>  <URL> (315)
http://www.selleckchem.com/products/bephenium-hydroxynaphthoate.html

>  <CAS Number> (315)
3818-50-6

$$$$
brucine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (316)
316

>  <Formula> (316)
C23H30N2O9S

>  <MolWeight> (316)
510.5573

>  <Item Name> (316)
Brucine sulfate salt hydrate

>  <Catalog Number> (316)
S4390

>  <Synonyms> (316)
N/A

>  <Target> (316)
Others

>  <Form> (316)
sulphate
sulph

>  <URL> (316)
http://www.selleckchem.com/products/brucine.html

>  <CAS Number> (316)
652154-10-4

$$$$
calcium gluceptate.cdx
csChFnd80/10101813242D

 31 30  0  0  0  0  0  0  0  0999 V2000
   13.8044    6.0821    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3362    4.7817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9561    7.1839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.1918    6.3028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1588    3.7122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9451    4.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4482    8.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5928    6.9687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6909    2.4116    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5524    3.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5448    9.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7953    8.7606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5391    1.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3032    2.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8709    9.8308    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
   14.0287    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7185   11.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5035   11.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3043   11.0209    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0559   11.6943    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3213    9.6314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8878   11.0176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0488   13.1219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6469   11.6810    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8924    9.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366   10.9885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6571   13.1061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043   11.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4707    9.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.9703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4921   13.1283    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  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  6  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  1  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 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
 19 21  1  6  0  0  0
 20 22  1  0  0  0  0
 20 23  1  1  0  0  0
 22 24  1  0  0  0  0
 22 25  1  1  0  0  0
 24 26  1  0  0  0  0
 24 27  1  1  0  0  0
 26 28  1  0  0  0  0
 26 29  1  6  0  0  0
 28 30  1  0  0  0  0
 18 31  2  0  0  0  0
M  END
>  <Mol_ID> (317)
317

>  <Formula> (317)
C14H26CaO16

>  <MolWeight> (317)
490.42464

>  <Item Name> (317)
Calcium Gluceptate

>  <Catalog Number> (317)
S4311 

>  <Synonyms> (317)
N/A

>  <Target> (317)
Others

>  <Form> (317)
Gluceptate

>  <URL> (317)
http://www.selleckchem.com/products/calcium-gluceptate.html

>  <CAS Number> (317)
17140-60-2

$$$$
camylofine chlorhydrate.cdx
csChFnd80/10101813242D

 25 23  0  0  0  0  0  0  0  0999 V2000
    7.2692    6.3064    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4787    7.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0774    6.9945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2692    4.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6706    6.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4787    8.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8235    6.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1045    4.2176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5242    4.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8602    7.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6323    9.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    6.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1045    2.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8602    8.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    6.2506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9064    2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    4.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9064    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287    4.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6998    0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1189    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7817    9.2309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3817    9.2309    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  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
  4  9  2  0  0  0  0
  5 10  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  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (318)
318

>  <Formula> (318)
C19H34Cl2N2O2

>  <MolWeight> (318)
393.39146

>  <Item Name> (318)
camylofine chlorhydrate

>  <Catalog Number> (318)
S4391

>  <Synonyms> (318)
Camylofine Chlorhydrate

>  <Target> (318)
Others

>  <Form> (318)
chlorhydrate

>  <URL> (318)
http://www.selleckchem.com/products/camylofin-chlorhydrate.html

>  <CAS Number> (318)
54-30-8

$$$$
canrenoic acid, potassium salt.cdx
csChFnd80/10101813242D

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    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    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6061    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  1  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
    8.6061    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    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  2  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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0367    5.9116    0.0000 O   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
   11.0310    4.6326    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    5.3326    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
   12.2434    6.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    4.6326    0.0000 O   0  5  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
   13.3031    3.4042    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5722    5.4167    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
  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  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 13  1  6  0  0  0
  7 14  1  1  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 10 26  1  1  0  0  0
  2 27  1  1  0  0  0
  5 28  1  6  0  0  0
  1 29  1  6  0  0  0
  3 30  1  1  0  0  0
M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C22H29KO4

>  <MolWeight> (319)
396.56156

>  <Item Name> (319)
Potassium Canrenoate

>  <Catalog Number> (319)
S4392

>  <Synonyms> (319)
Canrenoic Acid Potassium Salt

>  <Target> (319)
Others

>  <Form> (319)
Canrenoate

>  <URL> (319)
http://www.selleckchem.com/products/potassium-canrenoate.html

>  <CAS Number> (319)
2181-04-6

$$$$
carbachol.cdx
csChFnd80/10101813242D

 11  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 N   0  3  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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.3275    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
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8253    3.3664    0.0000 Cl  0  5  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
  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
M  END
>  <Mol_ID> (320)
320

>  <Formula> (320)
C6H15ClN2O2

>  <MolWeight> (320)
182.6485

>  <Item Name> (320)
carbachol

>  <Catalog Number> (320)
S4359

>  <Synonyms> (320)
Carbamylcholine

>  <Target> (320)
Others

>  <Form> (320)
Chloride

>  <URL> (320)
http://www.selleckchem.com/products/carbachol.html

>  <CAS Number> (320)
51-83-2

$$$$
carbadox.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.6995    3.5000    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
    8.4871    4.2000    0.0000 N   0  3  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
    8.4871    1.4000    0.0000 N   0  3  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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 O   0  5  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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  5  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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  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 10  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  2  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
M  END
>  <Mol_ID> (321)
321

>  <Formula> (321)
C11H10N4O4

>  <MolWeight> (321)
262.2215

>  <Item Name> (321)
carbadox

>  <Catalog Number> (321)
S4312

>  <Synonyms> (321)
N/A

>  <Target> (321)
Others

>  <Form> (321)
Free Base

>  <URL> (321)
http://www.selleckchem.com/products/carbadox.html

>  <CAS Number> (321)
6804-07-5

$$$$
Carbenoxolone disodiuM.cdx
csChFnd80/10101813242D

 45 47  0  0  0  0  0  0  0  0999 V2000
    8.4354    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4354    4.1854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6478    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8602    4.1854    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8602    5.5854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6478    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0727    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2851    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2851    5.5854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0727    6.2854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.4975    6.2854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4975    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2851    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0727    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7100    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9224    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9224    7.6854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7100    8.3854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1348    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9224   10.4854    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.7100    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8602    7.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1759    8.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7510    2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5446    2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2271    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0189    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4354    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8107    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6024    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3942    2.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6024    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1292    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   20.7084   11.1708    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
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 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 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
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 20 21  1  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
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 17 27  1  1  0  0  0
 18 28  1  1  0  0  0
  9 29  1  1  0  0  0
  5 30  1  1  0  0  0
  2 31  1  1  0  0  0
 10 32  1  6  0  0  0
 11 33  1  6  0  0  0
 14 34  2  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
M  END
>  <Mol_ID> (322)
322

>  <Formula> (322)
C34H48Na2O7

>  <MolWeight> (322)
614.72026

>  <Item Name> (322)
Carbenoxolone disodiuM

>  <Catalog Number> (322)
S4368

>  <Synonyms> (322)
N/A

>  <Target> (322)
Others

>  <Form> (322)
disodiuM

>  <URL> (322)
http://www.selleckchem.com/products/carbenoxolone-sodium.html

>  <CAS Number> (322)
7421-40-1

$$$$
cephapirin sodium.cdx
csChFnd80/10101813242D

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    0.0000   12.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7373   13.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3695   13.5529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6741    0.0000    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  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  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 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
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 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (323)
323

>  <Formula> (323)
C17H16N3NaO6S2

>  <MolWeight> (323)
445.44521

>  <Item Name> (323)
cephapirin sodium

>  <Catalog Number> (323)
S4393 

>  <Synonyms> (323)
Cefapirin Sodium

>  <Target> (323)
Others

>  <Form> (323)
sodium

>  <URL> (323)
http://www.selleckchem.com/products/cephapirin-sodium.html

>  <CAS Number> (323)
24356-60-3

$$$$
cinoxacin.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6298    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  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  9  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 16  1  0  0  0  0
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 16 18  2  0  0  0  0
  3 19  2  0  0  0  0
M  END
>  <Mol_ID> (324)
324

>  <Formula> (324)
C12H10N2O5

>  <MolWeight> (324)
262.2182

>  <Item Name> (324)
cinoxacin

>  <Catalog Number> (324)
S4361 

>  <Synonyms> (324)
N/A

>  <Target> (324)
Others

>  <Form> (324)
Free Base

>  <URL> (324)
http://www.selleckchem.com/products/cinoxacin.html

>  <CAS Number> (324)
28657-80-9

$$$$
clofoctol.cdx
csChFnd80/10101813242D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.1621    6.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    5.5180    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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 10 11  2  0  0  0  0
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 13  8  1  0  0  0  0
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 11 15  1  0  0  0  0
  6 16  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (325)
325

>  <Formula> (325)
C21H26Cl2O

>  <MolWeight> (325)
365.33654

>  <Item Name> (325)
clofoctol

>  <Catalog Number> (325)
S4394 

>  <Synonyms> (325)
N/A

>  <Target> (325)
Others

>  <Form> (325)
Free Base

>  <URL> (325)
http://www.selleckchem.com/products/clofoctol.html

>  <CAS Number> (325)
37693-01-9

$$$$
DicycloMine Hydrochloride.cdx
csChFnd80/10101813242D

 23 23  0  0  0  0  0  0  0  0999 V2000
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    0.7000    6.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0366    4.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9523    0.0620    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
  3  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
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (326)
326

>  <Formula> (326)
C19H36ClNO2

>  <MolWeight> (326)
345.94764

>  <Item Name> (326)
DicycloMine  Hydrochloride

>  <Catalog Number> (326)
S4373 

>  <Synonyms> (326)
Dicycloverine HCl

>  <Target> (326)
Others

>  <Form> (326)
Hydrochloride

>  <URL> (326)
http://www.selleckchem.com/products/dicyclomine-hcl.html

>  <CAS Number> (326)
67-92-5

$$$$
diperodon hydrochloride.cdx
csChFnd80/10101813242D

 30 31  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   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
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5807    0.2996    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
  7  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  1  0  0  0  0
 11 13  2  0  0  0  0
 12 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
  9 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
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
>  <Mol_ID> (327)
327

>  <Formula> (327)
C22H28ClN3O4

>  <MolWeight> (327)
433.92842

>  <Item Name> (327)
diperodon hydrochloride

>  <Catalog Number> (327)
S4397

>  <Synonyms> (327)
N/A

>  <Target> (327)
Others

>  <Form> (327)
hydrochloride

>  <URL> (327)
http://www.selleckchem.com/products/diperodon-hcl.html

>  <CAS Number> (327)
537-12-2

$$$$
diphenylpyraline hydrochloride.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.3000    3.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    7.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000    3.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7860    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  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  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C19H24ClNO

>  <MolWeight> (328)
317.85296

>  <Item Name> (328)
diphenylpyraline hydrochloride

>  <Catalog Number> (328)
S4321 

>  <Synonyms> (328)
N/A

>  <Target> (328)
Others

>  <Form> (328)
hydrochloride

>  <URL> (328)
http://www.selleckchem.com/products/diphenylpyraline-hcl.html

>  <CAS Number> (328)
132-18-3

$$$$
disopyramide phosphate.cdx
csChFnd80/10101813242D

 30 30  0  0  0  0  0  0  0  0999 V2000
    4.2000    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7000    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5196    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9196    3.8827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  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  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  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  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 18  2  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
 17 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  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C21H32N3O5P

>  <MolWeight> (329)
437.469641

>  <Item Name> (329)
disopyramide phosphate

>  <Catalog Number> (329)
S4322 

>  <Synonyms> (329)
N/A

>  <Target> (329)
Others

>  <Form> (329)
phosphate

>  <URL> (329)
http://www.selleckchem.com/products/disopyramide-phosphate.html

>  <CAS Number> (329)
22059-60-5

$$$$
ethoxzolamide.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3826    0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2039    1.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3826    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    1.4007    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    2.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    0.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9942    1.4007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 O   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
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C9H10N2O3S2

>  <MolWeight> (330)
258.3173

>  <Item Name> (330)
ethoxzolamide

>  <Catalog Number> (330)
S4326 

>  <Synonyms> (330)
N/A

>  <Target> (330)
Others

>  <Form> (330)
Free Base

>  <URL> (330)
http://www.selleckchem.com/products/ethoxzolamide.html

>  <CAS Number> (330)
452-35-7

$$$$
fosfomycin tromethamine .cdx
csChFnd80/10101813242D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.9124    3.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6124    2.6139    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8249    1.9139    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    3.1263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3100    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5225    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9313    2.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8312    0.7844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3100    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5225    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5225    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4525    3.6587    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  1  1  1  0  0  0
  3  4  1  0  0  0  0
  2  5  1  1  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C7H18NO7P

>  <MolWeight> (331)
259.194081

>  <Item Name> (331)
fosfomycin tromethamine

>  <Catalog Number> (331)
S4385 

>  <Synonyms> (331)
Phosphomycin Tromethamine, Phosphonomycin Tromethamine 

>  <Target> (331)
Others

>  <Form> (331)
tromethamine

>  <URL> (331)
http://www.selleckchem.com/products/fosfomycin-tromethamine.html

>  <CAS Number> (331)
78964-85-9

$$$$
glafenine hydrochloride.cdx
csChFnd80/10101813242D

 27 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (332)
332

>  <Formula> (332)
C19H18Cl2N2O4

>  <MolWeight> (332)
409.26322

>  <Item Name> (332)
glafenine hydrochloride

>  <Catalog Number> (332)
S4362 

>  <Synonyms> (332)
N/A

>  <Target> (332)
Others

>  <Form> (332)
hydrochloride

>  <URL> (332)
http://www.selleckchem.com/products/glafenine-hcl.html

>  <CAS Number> (332)
65513-72-6

$$$$
IMipraMine hydrochloride.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.4322    5.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4322    3.8063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5268    2.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C19H25ClN2

>  <MolWeight> (333)
316.8682

>  <Item Name> (333)
IMipraMine hydrochloride

>  <Catalog Number> (333)
S4377 

>  <Synonyms> (333)
Melipramine HCl

>  <Target> (333)
Others

>  <Form> (333)
hydrochloride

>  <URL> (333)
http://www.selleckchem.com/products/imipramine-hcl.html

>  <CAS Number> (333)
113-52-0

$$$$
isoetharine mesylate.cdx
csChFnd80/10101813242D

 22 21  0  0  0  0  0  0  0  0999 V2000
    2.1000    7.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
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 10 12  1  0  0  0  0
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 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C14H25NO6S

>  <MolWeight> (334)
335.4164

>  <Item Name> (334)
isoetharine mesylate

>  <Catalog Number> (334)
S4330 

>  <Synonyms> (334)
N/A

>  <Target> (334)
Others

>  <Form> (334)
mesylate

>  <URL> (334)
http://www.selleckchem.com/products/isoetharine-mesylate.html

>  <CAS Number> (334)
7279-75-6

$$$$
isoxicam.cdx
csChFnd80/10101813242D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1769    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
 10 11  1  0  0  0  0
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 13 15  1  0  0  0  0
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 19 15  2  0  0  0  0
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M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C14H13N3O5S

>  <MolWeight> (335)
335.33512

>  <Item Name> (335)
isoxicam

>  <Catalog Number> (335)
S4398 

>  <Synonyms> (335)
N/A

>  <Target> (335)
Others

>  <Form> (335)
Free Base

>  <URL> (335)
http://www.selleckchem.com/products/isoxicam.html

>  <CAS Number> (335)
34552-84-6

$$$$
mepenzolate bromide.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
  9 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 18  9  1  0  0  0  0
 13 19  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C21H26BrNO3

>  <MolWeight> (336)
420.34004

>  <Item Name> (336)
mepenzolate bromide

>  <Catalog Number> (336)
S4375 

>  <Synonyms> (336)
N/A

>  <Target> (336)
Others

>  <Form> (336)
bromide

>  <URL> (336)
http://www.selleckchem.com/products/mepenzolate-bromide.html

>  <CAS Number> (336)
76-90-4

$$$$
mepiroxol.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C6H7NO2

>  <MolWeight> (337)
125.12528

>  <Item Name> (337)
mepiroxol

>  <Catalog Number> (337)
S4333 

>  <Synonyms> (337)
N/A

>  <Target> (337)
Others

>  <Form> (337)
Free Base

>  <URL> (337)
http://www.selleckchem.com/products/mepiroxol.html

>  <CAS Number> (337)
6968-72-5

$$$$
mesoridazine besylate.cdx
csChFnd80/10101813242D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C27H32N2O4S3

>  <MolWeight> (338)
544.74898

>  <Item Name> (338)
mesoridazine besylate

>  <Catalog Number> (338)
S4334 

>  <Synonyms> (338)
N/A

>  <Target> (338)
Others

>  <Form> (338)
besylate

>  <URL> (338)
http://www.selleckchem.com/products/mesoridazine-besylate.html

>  <CAS Number> (338)
32672-69-8

$$$$
metaproterenol sulfate(orciprenaline sulfate).cdx
csChFnd80/10101813242D

 35 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C22H36N2O10S

>  <MolWeight> (339)
520.59364

>  <Item Name> (339)
metaproterenol sulfate

>  <Catalog Number> (339)
S4335 

>  <Synonyms> (339)
Orciprenaline Sulfate

>  <Target> (339)
Others

>  <Form> (339)
sulfate

>  <URL> (339)
http://www.selleckchem.com/products/metaproterenol-sulfate.html

>  <CAS Number> (339)
5874-97-5

$$$$
metaraminol bitartrate.cdx
csChFnd80/10101813242D

 22 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (340)
340

>  <Formula> (340)
C13H19NO8

>  <MolWeight> (340)
317.29186

>  <Item Name> (340)
metaraminol bitartrate

>  <Catalog Number> (340)
S4336 

>  <Synonyms> (340)
Metaradrine Bitartrate

>  <Target> (340)
Others

>  <Form> (340)
bitartrate

>  <URL> (340)
http://www.selleckchem.com/products/metaraminol-bitartrate.html

>  <CAS Number> (340)
33402-03-8

$$$$
meticrane.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (341)
341

>  <Formula> (341)
C10H13NO4S2

>  <MolWeight> (341)
275.34452

>  <Item Name> (341)
meticrane

>  <Catalog Number> (341)
S4339 

>  <Synonyms> (341)
N/A

>  <Target> (341)
Others

>  <Form> (341)
Free Base

>  <URL> (341)
http://www.selleckchem.com/products/meticrane.html

>  <CAS Number> (341)
1084-65-7

$$$$
Misoprostol.cdx
csChFnd80/10101813242D

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  4  8  1  1  0  0  0
  5  9  1  6  0  0  0
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 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
  8 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 24 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
M  END
>  <Mol_ID> (342)
342

>  <Formula> (342)
C22H38O5

>  <MolWeight> (342)
382.53412

>  <Item Name> (342)
Misoprostol

>  <Catalog Number> (342)
S4415 

>  <Synonyms> (342)
N/A

>  <Target> (342)
Others

>  <Form> (342)
Free Base

>  <URL> (342)
http://www.selleckchem.com/products/misoprostol.html

>  <CAS Number> (342)
59122-46-2

$$$$
nalmefene hydrochloride.cdx
csChFnd80/10101813242D

 27 31  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
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  8  9  1  0  0  0  0
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 10  6  1  0  0  0  0
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 14  8  1  0  0  0  0
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 11 17  1  1  0  0  0
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M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C21H26ClNO3

>  <MolWeight> (343)
375.88904

>  <Item Name> (343)
nalmefene hydrochloride

>  <Catalog Number> (343)
S4341 

>  <Synonyms> (343)
N/A

>  <Target> (343)
Others

>  <Form> (343)
hydrochloride

>  <URL> (343)
http://www.selleckchem.com/products/nalmefene-hcl.html

>  <CAS Number> (343)
58895-64-0

$$$$
nialamide.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C16H18N4O2

>  <MolWeight> (344)
298.33972

>  <Item Name> (344)
nialamide

>  <Catalog Number> (344)
S4342 

>  <Synonyms> (344)
N/A

>  <Target> (344)
Others

>  <Form> (344)
Free Base

>  <URL> (344)
http://www.selleckchem.com/products/nialamide.html

>  <CAS Number> (344)
51-12-7

$$$$
nicotine ditartrate.cdx
csChFnd80/10101813242D

 32 31  0  0  0  0  0  0  0  0999 V2000
    1.3903   11.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  7  1  0  0  0  0
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C18H26N2O12

>  <MolWeight> (345)
462.40524

>  <Item Name> (345)
nicotine ditartrate

>  <Catalog Number> (345)
S4370

>  <Synonyms> (345)
http://www.selleckchem.com/products/nicotiN/A

>  <Target> (345)
Others

>  <Form> (345)
ditartrate

>  <URL> (345)
http://www.selleckchem.com/products/nicotine-ditartrate.html

>  <CAS Number> (345)
65-31-6

$$$$
nifenazone.cdx
csChFnd80/10101813242D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.9350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
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 16 17  2  0  0  0  0
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M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C17H16N4O2

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nifenazone

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S4401 

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N/A

>  <Target> (346)
Others

>  <Form> (346)
Free Base

>  <URL> (346)
http://www.selleckchem.com/products/nifenazone.html

>  <CAS Number> (346)
2139-47-1

$$$$
untitled.cdx
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>  <Mol_ID> (347)
347

>  <Formula> (347)
C26H41NO10

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>  <Item Name> (347)
oxelaidin citrate

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S4402

>  <Synonyms> (347)
N/A

>  <Target> (347)
Others

>  <Form> (347)
citrate

>  <URL> (347)
http://www.selleckchem.com/products/oxeladin-citrate.html

>  <CAS Number> (347)
52432-72-1

$$$$
pasiniazid.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (348)
348

>  <Formula> (348)
C13H14N4O4

>  <MolWeight> (348)
290.27466

>  <Item Name> (348)
pasiniazid

>  <Catalog Number> (348)
S4404 

>  <Synonyms> (348)
N/A

>  <Target> (348)
Others

>  <Form> (348)
Isonicotinic 

>  <URL> (348)
http://www.selleckchem.com/products/pasiniazid.html

>  <CAS Number> (348)
2066-89-9

$$$$
pentoxifylline.cdx
csChFnd80/10101813242D

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>  <Formula> (349)
C13H18N4O3

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pentoxifylline

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S4345 

>  <Synonyms> (349)
N/A

>  <Target> (349)
Others

>  <Form> (349)
Free Base

>  <URL> (349)
http://www.selleckchem.com/products/pentoxifylline.html

>  <CAS Number> (349)
6493-05-6

$$$$
phthalylsulfacetamide.cdx
csChFnd80/10101813242D

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350

>  <Formula> (350)
C16H14N2O6S

>  <MolWeight> (350)
362.35716

>  <Item Name> (350)
phthalylsulfacetamide

>  <Catalog Number> (350)
S4365 

>  <Synonyms> (350)
N/A

>  <Target> (350)
Others

>  <Form> (350)
Free Base

>  <URL> (350)
http://www.selleckchem.com/products/phthalylsulfacetamide.html

>  <CAS Number> (350)
131-69-1

$$$$
pimozide.cdx
csChFnd80/10101813242D

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   11.3105    6.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3078    4.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5302    8.4060    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  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
  8 10  2  0  0  0  0
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 11 12  1  0  0  0  0
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 16 11  1  0  0  0  0
 14 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
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 27 22  1  0  0  0  0
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 29 30  1  0  0  0  0
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 33 21  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C28H29F2N3O

>  <MolWeight> (351)
461.5461664

>  <Item Name> (351)
pimozide

>  <Catalog Number> (351)
S4358 

>  <Synonyms> (351)
N/A

>  <Target> (351)
Others

>  <Form> (351)
Free Base

>  <URL> (351)
http://www.selleckchem.com/products/pimozide.html

>  <CAS Number> (351)
2062-78-4

$$$$
piromidic acid.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5544    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2229    2.3451    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  1  0  0  0  0
  4  5  2  0  0  0  0
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  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
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 13  2  0  0  0  0
  2 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  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C14H16N4O3

>  <MolWeight> (352)
288.30184

>  <Item Name> (352)
piromidic acid

>  <Catalog Number> (352)
S4348 

>  <Synonyms> (352)
N/A

>  <Target> (352)
Others

>  <Form> (352)
Free Base

>  <URL> (352)
http://www.selleckchem.com/products/piromidic-acid.html

>  <CAS Number> (352)
19562-30-2

$$$$
proadifen hydrochloride .cdx
csChFnd80/10101813242D

 27 27  0  0  0  0  0  0  0  0999 V2000
    5.6871    7.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3870    5.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    5.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    8.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3870    8.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  3 13  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
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 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C23H32ClNO2

>  <MolWeight> (353)
389.95868

>  <Item Name> (353)
proadifen hydrochloride

>  <Catalog Number> (353)
S4381 

>  <Synonyms> (353)
SKF 525-A HCl

>  <Target> (353)
Others

>  <Form> (353)
hydrochloride

>  <URL> (353)
http://www.selleckchem.com/products/proadifen-hcl.html

>  <CAS Number> (353)
62-68-0

$$$$
procodazole.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.9572    2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5843    0.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5664    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2945    1.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3123    2.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891    3.1188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6942    2.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1856    0.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3471    1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C10H10N2O2

>  <MolWeight> (354)
190.1986

>  <Item Name> (354)
procodazole

>  <Catalog Number> (354)
S4408 

>  <Synonyms> (354)
N/A

>  <Target> (354)
Others

>  <Form> (354)
Free Base

>  <URL> (354)
http://www.selleckchem.com/products/procodazole.html

>  <CAS Number> (354)
23249-97-0

$$$$
procyclidine hydrochloride.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4730    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    3.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9355    3.2648    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  1  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
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 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
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C19H30ClNO

>  <MolWeight> (355)
323.9006

>  <Item Name> (355)
procyclidine hydrochloride

>  <Catalog Number> (355)
S4349 

>  <Synonyms> (355)
N/A

>  <Target> (355)
Others

>  <Form> (355)
hydrochloride

>  <URL> (355)
http://www.selleckchem.com/products/procyclidine-hcl.html

>  <CAS Number> (355)
1508-76-5

$$$$
ractopamine hydrochloride.cdx
csChFnd80/10101813242D

 23 23  0  0  0  0  0  0  0  0999 V2000
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  3  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
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  4  5  1  0  0  0  0
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  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  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  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C18H24ClNO3

>  <MolWeight> (356)
337.84106

>  <Item Name> (356)
ractopamine hydrochloride

>  <Catalog Number> (356)
S4351 

>  <Synonyms> (356)
N/A

>  <Target> (356)
Others

>  <Form> (356)
hydrochloride

>  <URL> (356)
http://www.selleckchem.com/products/ractopamine-hcl.html

>  <CAS Number> (356)
90274-24-1

$$$$
SodiuM 4-aMinohippurate hydrate.cdx
csChFnd80/10101813242D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    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> (357)
357

>  <Formula> (357)
C9H9N2NaO3

>  <MolWeight> (357)
216.16913

>  <Item Name> (357)
SodiuM 4-aMinohippurate hydrate

>  <Catalog Number> (357)
S4414 

>  <Synonyms> (357)
N/A

>  <Target> (357)
Others

>  <Form> (357)
Sodium

>  <URL> (357)
http://www.selleckchem.com/products/sodium-4-aminohippurate-hydrate.html

>  <CAS Number> (357)
94-16-6

$$$$
tacrine hydrochlorid.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    2.4260    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6356    4.1971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  2  0  0  0  0
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 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C13H15ClN2

>  <MolWeight> (358)
234.7246

>  <Item Name> (358)
tacrine hydrochlorid

>  <Catalog Number> (358)
S4357 

>  <Synonyms> (358)
N/A

>  <Target> (358)
Others

>  <Form> (358)
hydrochlorid

>  <URL> (358)
http://www.selleckchem.com/products/tacrine-hcl.html

>  <CAS Number> (358)
1684-40-8

$$$$
terfenadine.cdx
csChFnd80/10101813242D

 35 38  0  0  0  0  0  0  0  0999 V2000
    3.5000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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  9 10  1  0  0  0  0
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 14 15  1  0  0  0  0
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 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
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  7 23  1  0  0  0  0
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  7 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 24  1  0  0  0  0
 23 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 23  1  0  0  0  0
M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C32H41NO2

>  <MolWeight> (359)
471.67344

>  <Item Name> (359)
terfenadine

>  <Catalog Number> (359)
S4353 

>  <Synonyms> (359)
N/A

>  <Target> (359)
Others

>  <Form> (359)
Free Base

>  <URL> (359)
http://www.selleckchem.com/products/terfenadine.html

>  <CAS Number> (359)
50679-08-8

$$$$
Thioridazine hydrochloride.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602    0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602    2.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7397    2.8936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7476    0.0188    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0238    2.1504    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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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  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
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 18 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C21H27ClN2S2

>  <MolWeight> (360)
407.03548

>  <Item Name> (360)
Thioridazine hydrochloride

>  <Catalog Number> (360)
S5563

>  <Synonyms> (360)
Aldazine, Mellaril

>  <Target> (360)
Others

>  <Form> (360)
hydrochloride 

>  <URL> (360)
http://selleckchem.com/products/thioridazine-hydrochloride.html

>  <CAS Number> (360)
130-61-0

$$$$
Ebastine.cdx
csChFnd80/10101813242D

 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
    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6117   10.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2675    8.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0267   10.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
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 35  8  1  0  0  0  0
M  END
>  <Mol_ID> (361)
361

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CFTR

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Free Base

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1191252-49-9

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RVX-000222

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Epigenetic Reader Domain

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Free Base

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http://www.selleckchem.com/products/rvx-208.html

>  <CAS Number> (366)
1044870-39-4

$$$$
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>  <Target> (367)
JAK

>  <Form> (367)
Free Base

>  <URL> (367)
http://www.selleckchem.com/products/xl019.html

>  <CAS Number> (367)
945755-56-6

$$$$
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csChFnd80/10101813242D

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maleate

>  <URL> (368)
http://www.selleckchem.com/products/trimipramine-maleate.html

>  <CAS Number> (368)
521-78-8

$$$$
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CFTR inhibitor 172

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CFTR

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>  <CAS Number> (369)
307510-92-5

$$$$
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Raf

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519055-62-0

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Histone Methyltransferase

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1431612-23-5

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DYRK

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HMTase Inhibitor IX

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Histone Methyltransferase

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http://www.selleckchem.com/products/mm-102.html

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1417329-24-8

$$$$
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csChFnd80/10101813242D

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JAK

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>  <Mol_ID> (391)
391

>  <Formula> (391)
C17H16O4

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284.30654

>  <Item Name> (391)
Caffeic acid phenethyl ester(CAPE)

>  <Catalog Number> (391)
S7414

>  <Synonyms> (391)
CAPE, Phenylethyl Caffeate

>  <Target> (391)
NF-¦ÊB

>  <Form> (391)
Free Base

>  <URL> (391)
http://www.selleckchem.com/products/caffeic-acid-phenethyl-ester.html

>  <CAS Number> (391)
104594-70-9

$$$$
ASP3026   structure.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (392)
392

>  <Formula> (392)
C29H40N8O3S

>  <MolWeight> (392)
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>  <Item Name> (392)
ASP3026

>  <Catalog Number> (392)
S8054

>  <Synonyms> (392)
N/A

>  <Target> (392)
ALK

>  <Form> (392)
Free Base

>  <URL> (392)
http://www.selleckchem.com/products/asp3026.html

>  <CAS Number> (392)
1097917-15-1

$$$$
LGK-974.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (393)
393

>  <Formula> (393)
C23H20N6O

>  <MolWeight> (393)
396.4445

>  <Item Name> (393)
LGK-974

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S7143

>  <Synonyms> (393)
N/A

>  <Target> (393)
Wnt/beta-catenin

>  <Form> (393)
Free Base

>  <URL> (393)
http://www.selleckchem.com/products/lgk-974.html

>  <CAS Number> (393)
1243244-14-5

$$$$
guanethidine sulfate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (394)
394

>  <Formula> (394)
C20H46N8O4S

>  <MolWeight> (394)
494.69544

>  <Item Name> (394)
guanethidine sulfate

>  <Catalog Number> (394)
S4328

>  <Synonyms> (394)
N/A

>  <Target> (394)
Others

>  <Form> (394)
sulfate

>  <URL> (394)
http://www.selleckchem.com/products/guanethidine-sulfate.html

>  <CAS Number> (394)
60-02-6

$$$$
Aceclidine Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (395)
395

>  <Formula> (395)
C9H16ClNO2

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Aceclidine HCl

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S4376

>  <Synonyms> (395)
N/A

>  <Target> (395)
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>  <Form> (395)
hydrochloride

>  <URL> (395)
http://www.selleckchem.com/products/aceclidine-hcl.html

>  <CAS Number> (395)
6109-70-2

$$$$
Difluoxacin hydrochloride .cdx
csChFnd80/10101813242D

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396

>  <Formula> (396)
C21H20ClF2N3O3

>  <MolWeight> (396)
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Difloxacin HCl

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S4384

>  <Synonyms> (396)
N/A

>  <Target> (396)
Others

>  <Form> (396)
hydrochloride

>  <URL> (396)
http://www.selleckchem.com/products/difloxacin-hcl.html

>  <CAS Number> (396)
91296-86-5

$$$$
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csChFnd80/10101813242D

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397

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C11H8O4

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4¦Ì8C

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S7272 

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>  <Target> (397)
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>  <Form> (397)
Free Base

>  <URL> (397)
http://www.selleckchem.com/products/4u8c.html

>  <CAS Number> (397)
14003-96-4

$$$$
AZ20.cdx
csChFnd80/10101813242D

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398

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ATM/ATR

>  <Form> (398)
Free Base

>  <URL> (398)
http://www.selleckchem.com/products/az20.html

>  <CAS Number> (398)
1233339-22-4

$$$$
CNX-774.cdx
csChFnd80/10101813242D

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BTK

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>  <URL> (399)
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1202759-32-7

$$$$
LM-3096 IWP L6.cdx
csChFnd80/10101813242D

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CDK

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http://www.selleckchem.com/products/lee011.html

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1211441-98-3

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csChFnd80/10101813242D

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Lipase

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Free Base

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

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1469924-27-3

$$$$
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csChFnd80/10101813242D

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http://www.selleckchem.com/products/fh1-brd-k4477.html

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2719-05-3

$$$$
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csChFnd80/10101813242D

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415

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PARP

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Free Base

>  <URL> (415)
http://www.selleckchem.com/products/me0328.html

>  <CAS Number> (415)
1445251-22-8

$$$$
E-64d(Aloxistatin,Loxistatin£©.cdx
csChFnd80/10101813242D

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Cysteine Protease

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>  <URL> (416)
http://www.selleckchem.com/products/Aloxistatin.html

>  <CAS Number> (416)
88321-09-9

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BTB06584.cdx
csChFnd80/10101813242D

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ATPase

>  <Form> (417)
Free Base

>  <URL> (417)
http://www.selleckchem.com/products/btb06584.html

>  <CAS Number> (417)
219793-45-0

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Microtubule Associated

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Free Base

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N/A

>  <Target> (419)
CaMK

>  <Form> (419)
iodide

>  <URL> (419)
http://www.selleckchem.com/products/nh125.html

>  <CAS Number> (419)
278603-08-0

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Free Base

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>  <CAS Number> (420)
343351-67-7

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Free Base

>  <URL> (421)
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442632-72-6

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phosphatase

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Free Base

>  <URL> (422)
http://www.selleckchem.com/products/sal003.html

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1164470-53-4

$$$$
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DNA/RNA Synthesis

>  <Form> (423)
Free Base

>  <URL> (423)
http://www.selleckchem.com/products/triapine.html

>  <CAS Number> (423)
236392-56-6

$$$$
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Epigenetic Reader Domain

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Free Base

>  <URL> (424)
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1314241-44-5

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>  <Synonyms> (425)
N/A

>  <Target> (425)
TGF-beta/Smad

>  <Form> (425)
Hydrochloride

>  <URL> (425)
http://www.selleckchem.com/products/ldn-193189-HCl.html

>  <CAS Number> (425)
1062368-62-0

$$$$
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DNA/RNA Synthesis

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6960-45-8

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VEGFR

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>  <Target> (428)
GSK-3

>  <Form> (428)
Free Base

>  <URL> (428)
http://www.selleckchem.com/products/1-azakenpaullone.html

>  <CAS Number> (428)
676596-65-9

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4E1RCat.cdx
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429

>  <Formula> (429)
C28H18N2O6

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>  <Item Name> (429)
4E1RCat

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>  <Synonyms> (429)
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>  <Target> (429)
Others

>  <Form> (429)
Free Base

>  <URL> (429)
http://www.selleckchem.com/products/4e1rcat.html

>  <CAS Number> (429)
328998-25-0

$$$$
ISRIB (trans-isomer).cdx
csChFnd80/10101813242D

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N/A

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PERK

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Free Base

>  <URL> (430)
http://www.selleckchem.com/products/isrib-trans-isomer.html

$$$$
LGX818.cdx
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>  <Mol_ID> (431)
431

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>  <MolWeight> (431)
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>  <Item Name> (431)
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>  <Target> (431)
Raf

>  <Form> (431)
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>  <URL> (431)
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>  <CAS Number> (431)
1269440-17-6

$$$$
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VER-49009

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S7458

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CCT0129397

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HSP

>  <Form> (441)
Free Base

>  <URL> (441)
http://www.selleckchem.com/products/ver-49009.html

>  <CAS Number> (441)
940289-57-6

$$$$
GS-9973.cdx
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N/A

>  <Target> (442)
Syk

>  <Form> (442)
Free Base

>  <URL> (442)
http://www.selleckchem.com/products/gs-9973.html

>  <CAS Number> (442)
1229208-44-9

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/10101813242D

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443

>  <Formula> (443)
C17H22Cl2N2O3S

>  <MolWeight> (443)
405.33918

>  <Item Name> (443)
K-Ras(G12C) inhibitor 6

>  <Catalog Number> (443)
S7333

>  <Synonyms> (443)
N/A

>  <Target> (443)
Rho

>  <Form> (443)
Free Base

>  <URL> (443)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

>  <CAS Number> (443)
No

$$$$
DMH1.cdx
csChFnd80/10101813242D

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444

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>  <Target> (444)
TGF-beta/Smad

>  <Form> (444)
Free Base

>  <URL> (444)
http://www.selleckchem.com/products/dmh1.html

>  <CAS Number> (444)
1206711-16-1

$$$$
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BMP Inhibitor III

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TGF-beta/Smad

>  <Form> (445)
Free Base

>  <URL> (445)
http://www.selleckchem.com/products/ldn-212854.html

>  <CAS Number> (445)
1432597-26-6

$$$$
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csChFnd80/10101813242D

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>  <Mol_ID> (446)
446

>  <Formula> (446)
C30H27BrN4O2

>  <MolWeight> (446)
555.46498

>  <Item Name> (446)
LB42708

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S7467

>  <Synonyms> (446)
N/A

>  <Target> (446)
Transferase

>  <Form> (446)
Free Base

>  <URL> (446)
http://www.selleckchem.com/products/lb42708.html

>  <CAS Number> (446)
226929-39-1

$$$$
CGP 57380.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (447)
447

>  <Formula> (447)
C11H9FN6

>  <MolWeight> (447)
244.2277632

>  <Item Name> (447)
CGP 57380

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S7421

>  <Synonyms> (447)
N/A

>  <Target> (447)
MNK

>  <Form> (447)
Free Base

>  <URL> (447)
http://www.selleckchem.com/products/cgp57380.html

>  <CAS Number> (447)
522629-08-9

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (448)
448

>  <Formula> (448)
C15H26N2O5

>  <MolWeight> (448)
314.37734

>  <Item Name> (448)
Loxistatin Acid (E-64C)

>  <Catalog Number> (448)
S7392

>  <Synonyms> (448)
NSC 694279, EP 475

>  <Target> (448)
Cysteine Protease

>  <Form> (448)
Free Base

>  <URL> (448)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

>  <CAS Number> (448)
76684-89-4

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (449)
449

>  <Formula> (449)
C6H9NO5

>  <MolWeight> (449)
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DMOG

>  <Catalog Number> (449)
S7483

>  <Synonyms> (449)
Dimethyloxalylglycine

>  <Target> (449)
Hydroxylase

>  <Form> (449)
Free Base

>  <URL> (449)
http://www.selleckchem.com/products/dmog.html

>  <CAS Number> (449)
89464-63-1

$$$$
Trelagliptin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (450)
450

>  <Formula> (450)
C18H20FN5O2

>  <MolWeight> (450)
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>  <Item Name> (450)
Trelagliptin

>  <Catalog Number> (450)
S7513

>  <Synonyms> (450)
SYR-472

>  <Target> (450)
DPP-4

>  <Form> (450)
Free Base

>  <URL> (450)
http://www.selleckchem.com/products/trelagliptin.html

>  <CAS Number> (450)
865759-25-7

$$$$
PU-H71.cdx
csChFnd80/10101813242D

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Histone Acetyltransferase

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>  <Mol_ID> (459)
459

>  <Formula> (459)
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Ascomycin (FK520)

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S7411

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FR 900520, Immunomycin

>  <Target> (459)
Antifection

>  <Form> (459)
Free Base

>  <URL> (459)
http://www.selleckchem.com/products/ascomycin-fk520.html

>  <CAS Number> (459)
104987-12-4

$$$$
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csChFnd80/10101813242D

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GNF-5

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S7526

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>  <Target> (460)
Bcr-Abl

>  <Form> (460)
Free Base

>  <URL> (460)
http://www.selleckchem.com/products/gnf-5.html

>  <CAS Number> (460)
778277-15-9

$$$$
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>  <Item Name> (461)
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N/A

>  <Target> (461)
Others

>  <Form> (461)
Free Base

>  <URL> (461)
http://www.selleckchem.com/products/kn-62.html

>  <CAS Number> (461)
127191-97-3

$$$$
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>  <Target> (466)
HSP (e.g. HSP90)

>  <Form> (466)
Free Base

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http://www.selleckchem.com/products/ch5138303.html

>  <CAS Number> (466)
959763-06-5

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467

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>  <Item Name> (467)
BAPTA-AM

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>  <Synonyms> (467)
N/A

>  <Target> (467)
Others

>  <Form> (467)
Free Base

>  <URL> (467)
http://www.selleckchem.com/products/bapta-am.html

>  <CAS Number> (467)
126150-97-8

$$$$
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>  <Mol_ID> (468)
468

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>  <Target> (468)
Wnt/beta-catenin

>  <Form> (468)
Free Base

>  <URL> (468)
http://www.selleckchem.com/products/wiki4.html

>  <CAS Number> (468)
838818-26-1

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>  <Mol_ID> (469)
469

>  <Formula> (469)
C22H26FN3O2

>  <MolWeight> (469)
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>  <Item Name> (469)
Losmapimod

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>  <Synonyms> (469)
GW856553X, GW856553, GSK-AHAB

>  <Target> (469)
p38 MAPK

>  <Form> (469)
Free Base

>  <URL> (469)
http://www.selleckchem.com/products/losmapimod.html

>  <CAS Number> (469)
585543-15-3

$$$$
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1204144-28-4

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M  END
>  <Mol_ID> (482)
482

>  <Formula> (482)
C17H14Br3N5OS

>  <MolWeight> (482)
576.10296

>  <Item Name> (482)
PTC-209 HBr

>  <Catalog Number> (482)
S7539

>  <Synonyms> (482)
N/A

>  <Target> (482)
Others

>  <Form> (482)
Free Base

>  <URL> (482)
http://www.selleckchem.com/products/ptc-209-hbr.html

>  <CAS Number> (482)
1217022-63-3

$$$$
CX-6258 HCl .cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (483)
483

>  <Formula> (483)
C26H25Cl2N3O3

>  <MolWeight> (483)
498.401

>  <Item Name> (483)
CX-6258 HCl

>  <Catalog Number> (483)
S7041

>  <Synonyms> (483)
N/A

>  <Target> (483)
Pim

>  <Form> (483)
Hydrochloride

>  <URL> (483)
http://www.selleckchem.com/products/CX-6258.html

>  <CAS Number> (483)
1353859-00-3

$$$$
EHT 1864.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (484)
484

>  <Formula> (484)
C25H29Cl2F3N2O4S

>  <MolWeight> (484)
581.4749696

>  <Item Name> (484)
EHT 1864 2HCl

>  <Catalog Number> (484)
S7482

>  <Synonyms> (484)
N/A

>  <Target> (484)
Rho

>  <Form> (484)
Dihydrochloride

>  <URL> (484)
http://www.selleckchem.com/products/eht-1864.html

>  <CAS Number> (484)
754240-09-0

$$$$
EMD 1214063.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (485)
485

>  <Formula> (485)
C29H28N6O2

>  <MolWeight> (485)
492.57162

>  <Item Name> (485)
Tepotinib (EMD 1214063)

>  <Catalog Number> (485)
S7067

>  <Synonyms> (485)
N/A

>  <Target> (485)
c-Met

>  <Form> (485)
Free Base

>  <URL> (485)
http://www.selleckchem.com/products/emd-1214063.html

>  <CAS Number> (485)
1100598-32-0

$$$$
LDC000067.cdx
csChFnd80/10101813242D

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http://www.selleckchem.com/products/iwp-2.html

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686770-61-6

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INH6.cdx
csChFnd80/10101813242D

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Microtubule Associated

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Free Base

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http://www.selleckchem.com/products/inh6.html

>  <CAS Number> (491)
1001753-24-7

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CGI1746 .cdx
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BTK

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Free Base

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http://www.selleckchem.com/products/cgi1746.html

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910232-84-7

$$$$
PI-1840.cdx
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$$$$
(-)-p-Bromotetramisole oxalate.cdx
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M  END
>  <Mol_ID> (494)
494

>  <Formula> (494)
C13H13BrN2O4S

>  <MolWeight> (494)
373.22232

>  <Item Name> (494)
(-)-p-Bromotetramisole Oxalate

>  <Catalog Number> (494)
S7383

>  <Synonyms> (494)
L-p-Bromotetramisole Oxalate

>  <Target> (494)
Others

>  <Form> (494)
Oxalate

>  <URL> (494)
http://www.selleckchem.com/products/--p-Bromotetramisole-Oxalate.html

>  <CAS Number> (494)
62284-79-1

$$$$
AEBSF hydrochloride .cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (495)
495

>  <Formula> (495)
C8H11ClFNO2S

>  <MolWeight> (495)
239.6948432

>  <Item Name> (495)
AEBSF HCl

>  <Catalog Number> (495)
S7378

>  <Synonyms> (495)
N/A

>  <Target> (495)
Serine Protease

>  <Form> (495)
Hydrochloride

>  <URL> (495)
http://www.selleckchem.com/products/aebsf-hcl.html

>  <CAS Number> (495)
30827-99-7

$$$$
MALT1 inhibitor.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (496)
496

>  <Formula> (496)
C19H17Cl3N4O3

>  <MolWeight> (496)
455.72228

>  <Item Name> (496)
MI-2 (MALT1 inhibitor)

>  <Catalog Number> (496)
S7429

>  <Synonyms> (496)
N/A

>  <Target> (496)
MALT

>  <Form> (496)
Free Base

>  <URL> (496)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

>  <CAS Number> (496)
1047953-91-2

$$$$
TAPI-1.cdx
csChFnd80/10101813242D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (497)
497

>  <Formula> (497)
C26H37N5O5

>  <MolWeight> (497)
499.60248

>  <Item Name> (497)
TAPI-1

>  <Catalog Number> (497)
S7434

>  <Synonyms> (497)
N/A

>  <Target> (497)
Others

>  <Form> (497)
Free Base

>  <URL> (497)
http://www.selleckchem.com/products/tapi-1.html

>  <CAS Number> (497)
171235-71-5

$$$$
PF-3758309.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (498)
498

>  <Formula> (498)
C25H30N8OS

>  <MolWeight> (498)
490.6237

>  <Item Name> (498)
PF-3758309

>  <Catalog Number> (498)
S7094

>  <Synonyms> (498)
PF-03758309

>  <Target> (498)
PAK

>  <Form> (498)
Free Base

>  <URL> (498)
http://www.selleckchem.com/products/pf-3758309.html

>  <CAS Number> (498)
898044-15-0

$$$$
CPI203 .cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (499)
499

>  <Formula> (499)
C19H18ClN5OS

>  <MolWeight> (499)
399.89712

>  <Item Name> (499)
CPI-203

>  <Catalog Number> (499)
S7304

>  <Synonyms> (499)
N/A

>  <Target> (499)
Epigenetic Reader Domain

>  <Form> (499)
Free Base

>  <URL> (499)
http://www.selleckchem.com/products/cpi-203.html

>  <CAS Number> (499)
1446144-04-2

$$$$
FH535.cdx
csChFnd80/10101813242D

 22 23  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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M  END
>  <Mol_ID> (500)
500

>  <Formula> (500)
C13H10Cl2N2O4S

>  <MolWeight> (500)
361.2005

>  <Item Name> (500)
FH535

>  <Catalog Number> (500)
S7484

>  <Synonyms> (500)
N/A

>  <Target> (500)
Wnt/beta-catenin

>  <Form> (500)
Free Base

>  <URL> (500)
http://www.selleckchem.com/products/fh535.html

>  <CAS Number> (500)
108409-83-2

$$$$
Leupeptin hemisulfate .cdx
csChFnd80/10101813242D

 32 30  0  0  0  0  0  0  0  0999 V2000
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A   32
1/2H2SO4
M  END
>  <Mol_ID> (501)
501

>  <Formula> (501)
C20H38N6O4R

>  <MolWeight> (501)
426.55352

>  <Item Name> (501)
Leupeptin Hemisulfate

>  <Catalog Number> (501)
S7380

>  <Synonyms> (501)
N/A

>  <Target> (501)
Serine Protease

>  <Form> (501)
Free Base

>  <URL> (501)
http://www.selleckchem.com/products/leupeptin-hemisulfate.html

>  <CAS Number> (501)
103476-89-7

$$$$
Puromycin dihydrochloride.cdx
csChFnd80/10101813242D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (502)
502

>  <Formula> (502)
C22H31Cl2N7O5

>  <MolWeight> (502)
544.43144

>  <Item Name> (502)
Puromycin 2HCl

>  <Catalog Number> (502)
S7417

>  <Synonyms> (502)
N/A

>  <Target> (502)
Antifection

>  <Form> (502)
Dihydrochloride

>  <URL> (502)
http://www.selleckchem.com/products/Puromycin-2HCl.html

>  <CAS Number> (502)
58-58-2

$$$$
TMP269.cdx
csChFnd80/10101813242D

 36 40  0  0  0  0  0  0  0  0999 V2000
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Histone Acetyltransferase

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M  END
>  <Mol_ID> (511)
511

>  <Formula> (511)
C34H63N5O9

>  <MolWeight> (511)
685.89212

>  <Item Name> (511)
Pepstatin A

>  <Catalog Number> (511)
S7381

>  <Synonyms> (511)
N/A

>  <Target> (511)
HIV Protease

>  <Form> (511)
Free Base

>  <URL> (511)
http://www.selleckchem.com/products/pepstatin-a.html

>  <CAS Number> (511)
26305-03-3

$$$$
PD173955 .cdx
csChFnd80/10101813242D

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>  <Mol_ID> (512)
512

>  <Formula> (512)
C21H18Cl2N4OS

>  <MolWeight> (512)
445.36482

>  <Item Name> (512)
PD173955

>  <Catalog Number> (512)
S7269

>  <Synonyms> (512)
N/A 

>  <Target> (512)
Bcr-Abl

>  <Form> (512)
Free Base

>  <URL> (512)
http://www.selleckchem.com/products/pd173955.html

>  <CAS Number> (512)
260415-63-2

$$$$
Rilmenidine phosphate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (513)
513

>  <Formula> (513)
C10H19N2O5P

>  <MolWeight> (513)
278.242021

>  <Item Name> (513)
Rilmenidine Phosphate

>  <Catalog Number> (513)
S7548

>  <Synonyms> (513)
N/A

>  <Target> (513)
Others

>  <Form> (513)
Phosphate

>  <URL> (513)
http://www.selleckchem.com/products/rilmenidine-phosphate.html

>  <CAS Number> (513)
85409-38-7

$$$$
BAY 87-2243.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (514)
514

>  <Formula> (514)
C26H26F3N7O2

>  <MolWeight> (514)
525.5255496

>  <Item Name> (514)
BAY 87-2243

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S7309

>  <Synonyms> (514)
N/A

>  <Target> (514)
HIF

>  <Form> (514)
Free Base

>  <URL> (514)
http://www.selleckchem.com/products/bay-87-2243.html

>  <CAS Number> (514)
1227158-85-1

$$$$
SB-3CT.cdx
csChFnd80/10101813242D

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515

>  <Formula> (515)
C15H14O3S2

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SB-3CT

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S7430

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N/A

>  <Target> (515)
MMP

>  <Form> (515)
Free Base

>  <URL> (515)
http://www.selleckchem.com/products/sb-3ct.html

>  <CAS Number> (515)
292605-14-2

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/10101813242D

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>  <Formula> (516)
C16H21ClIN3O4S

>  <MolWeight> (516)
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>  <Item Name> (516)
K-Ras(G12C) inhibitor 9

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S7332

>  <Synonyms> (516)
N/A

>  <Target> (516)
Rho

>  <Form> (516)
Free Base

>  <URL> (516)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

>  <CAS Number> (516)
1469337-91-4

$$$$
SH-4-54.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (517)
517

>  <Formula> (517)
C29H27F5N2O5S

>  <MolWeight> (517)
610.592096

>  <Item Name> (517)
SH-4-54

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S7337

>  <Synonyms> (517)
N/A

>  <Target> (517)
STAT

>  <Form> (517)
Free Base

>  <URL> (517)
http://www.selleckchem.com/products/sh-4-54.html

>  <CAS Number> (517)
1456632-40-8

$$$$
GDC0994.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (518)
518

>  <Formula> (518)
C21H18ClFN6O2

>  <MolWeight> (518)
440.8580232

>  <Item Name> (518)
GDC-0994

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S7554

>  <Synonyms> (518)
N/A

>  <Target> (518)
ERK

>  <Form> (518)
Free Base

>  <URL> (518)
http://www.selleckchem.com/products/gdc-0994.html

>  <CAS Number> (518)
1453848-26-4

$$$$
Micafungin sodium.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (519)
519

>  <Formula> (519)
C56H70N9NaO23S

>  <MolWeight> (519)
1292.25627

>  <Item Name> (519)
Micafungin Sodium

>  <Catalog Number> (519)
S4287

>  <Synonyms> (519)
FK463 Sodium

>  <Target> (519)
Antifection

>  <Form> (519)
Sodium Salt

>  <URL> (519)
http://www.selleckchem.com/products/micafungin-sodium.html

>  <CAS Number> (519)
208538-73-2

$$$$
Zotarolimus.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (520)
520

>  <Formula> (520)
C52H79N5O12

>  <MolWeight> (520)
966.20996

>  <Item Name> (520)
Zotarolimus (ABT-578)

>  <Catalog Number> (520)
S7091

>  <Synonyms> (520)
N/A

>  <Target> (520)
mTOR

>  <Form> (520)
Free Base

>  <URL> (520)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

>  <CAS Number> (520)
221877-54-9

$$$$
PD 151746 .cdx
csChFnd80/10101813242D

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>  <Mol_ID> (521)
521

>  <Formula> (521)
C11H8FNO2S

>  <MolWeight> (521)
237.2501232

>  <Item Name> (521)
PD 151746

>  <Catalog Number> (521)
S7424

>  <Synonyms> (521)
N/A

>  <Target> (521)
Cysteine Protease

>  <Form> (521)
Free Base

>  <URL> (521)
http://www.selleckchem.com/products/pd-151746.html

>  <CAS Number> (521)
179461-52-0

$$$$
Go6976.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (525)
525

>  <Formula> (525)
C23H34N3Na2O10P

>  <MolWeight> (525)
589.483461

>  <Item Name> (525)
Phosphoramidon Disodium Salt

>  <Catalog Number> (525)
S7382

>  <Synonyms> (525)
N/A

>  <Target> (525)
Others

>  <Form> (525)
Disodium Salt

>  <URL> (525)
http://www.selleckchem.com/products/phosphoramidon-disodium-salt.html

>  <CAS Number> (525)
164204-38-0

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (526)
526

>  <Formula> (526)
C19H17NO3

>  <MolWeight> (526)
307.34318

>  <Item Name> (526)
SF1670 (PTEN inhibitor)

>  <Catalog Number> (526)
S7310

>  <Synonyms> (526)
N/A

>  <Target> (526)
PTEN

>  <Form> (526)
Free Base

>  <URL> (526)
http://www.selleckchem.com/products/sf1670.html

>  <CAS Number> (526)
345630-40-2

$$$$
IM-12.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (527)
527

>  <Formula> (527)
C22H20FN3O2

>  <MolWeight> (527)
377.4115032

>  <Item Name> (527)
IM-12

>  <Catalog Number> (527)
S7566

>  <Synonyms> (527)
N/A

>  <Target> (527)
GSK-3

>  <Form> (527)
Free Base

>  <URL> (527)
http://www.selleckchem.com/products/im-12.html

>  <CAS Number> (527)
1129669-05-1

$$$$
deltarasin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (528)
528

>  <Formula> (528)
C40H37N5O

>  <MolWeight> (528)
603.75468

>  <Item Name> (528)
Deltarasin

>  <Catalog Number> (528)
S7224

>  <Synonyms> (528)
N/A

>  <Target> (528)
PDE

>  <Form> (528)
Free Base

>  <URL> (528)
http://www.selleckchem.com/products/deltarasin.html

>  <CAS Number> (528)
1440898-61-2

$$$$
 Optovin.cdx
csChFnd80/10101813242D

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529

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C15H13N3OS2

>  <MolWeight> (529)
315.41322

>  <Item Name> (529)
Optovin

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S8073

>  <Synonyms> (529)
N/A

>  <Target> (529)
Calcium Channel

>  <Form> (529)
Free Base

>  <URL> (529)
http://www.selleckchem.com/products/optovin.html

>  <CAS Number> (529)
348575-88-2

$$$$
Amifostine .cdx
csChFnd80/10101813242D

 15 11  0  0  0  0  0  0  0  0999 V2000
    9.7763    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7477    1.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1065    0.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0779    1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4367    1.3418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4082    2.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7669    2.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7384    3.0207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.0972    2.6835    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.4344    4.0423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7599    1.3247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4559    2.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   11.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611    1.9572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (530)
530

>  <Formula> (530)
C5H21N2O6PS

>  <MolWeight> (530)
268.268801

>  <Item Name> (530)
Amifostine

>  <Catalog Number> (530)
S4298

>  <Synonyms> (530)
N/A

>  <Target> (530)
Others

>  <Form> (530)
Trihydrate

>  <URL> (530)
http://www.selleckchem.com/products/amifostine.html

>  <CAS Number> (530)
112901-68-5

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/10101813242D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   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
    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
    4.8497    2.1000    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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 F   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
    6.0622    4.2000    0.0000 C   0  0  2  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
    7.2746    2.1000    0.0000 C   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
    8.4870    4.2000    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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 N   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
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   12.1244    4.9000    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
  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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16  8  1  1  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  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 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
 18 26  2  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (531)
531

>  <Formula> (531)
C20H18FN5O2

>  <MolWeight> (531)
379.3876232

>  <Item Name> (531)
HSP990 (NVP-HSP990)

>  <Catalog Number> (531)
S7097

>  <Synonyms> (531)
N/A

>  <Target> (531)
HSP (e.g. HSP90)

>  <Form> (531)
Free Base

>  <URL> (531)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

>  <CAS Number> (531)
934343-74-5

$$$$
Biapenem.cdx
csChFnd80/10101813242D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.1544    0.4326    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1544    1.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3088    1.1326    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4859    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7088    1.1326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0922    3.8608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8011    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4088    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8393    3.6240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8797    4.5608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5797    5.7732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7922    5.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1445    5.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4699    3.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2174    7.1255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8651    7.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2073    8.1155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7379    1.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3052    0.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1073    1.7421    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7917    5.4419    0.0000 H   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
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  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 15  1  0  0  0  0
 15 16  1  1  0  0  0
 10 16  1  0  0  0  0
 10 14  1  0  0  0  0
 16 17  2  0  0  0  0
 13 18  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  1  1  0  0  0
 15 19  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 11 22  1  0  0  0  0
  9 12  1  0  0  0  0
  7  9  1  0  0  0  0
 14 25  1  1  0  0  0
M  END
>  <Mol_ID> (532)
532

>  <Formula> (532)
C15H18N4O4S

>  <MolWeight> (532)
350.39282

>  <Item Name> (532)
Biapenem

>  <Catalog Number> (532)
S1370

>  <Synonyms> (532)
L-627, LJC10627

>  <Target> (532)
Antifection

>  <Form> (532)
Free Base

>  <URL> (532)
http://www.selleckchem.com/products/Biapenem.html

>  <CAS Number> (532)
120410-24-4

$$$$
Caspofungin acetate.cdx
csChFnd80/10101813242D

 90 91  0  0  0  0  0  0  0  0999 V2000
    1.2082   14.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8332   13.9271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8332   12.5271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1666   13.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1666   12.5271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0457   11.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3790   11.8271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5914   12.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5914   13.9271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3790   14.6271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039   11.8271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0163   12.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0163   13.9271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039   14.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288   11.8271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4412   12.5271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4412   13.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288   14.6271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6536   11.8271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8661   12.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8661   13.9271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6536   14.6271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4666   15.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1788   15.2788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039   16.0222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4412   15.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0743   14.6247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2957   13.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8661   15.3222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3541   16.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7541   16.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0743   11.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288   10.4320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5914   11.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0698   10.4322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9270    8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1394    8.8667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1294    7.8767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8332    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0457    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250    3.9059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    3.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8332    1.8132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4621    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6704    3.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8786    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0868    3.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2950    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5033    3.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7115    3.9083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.9197    3.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7115    5.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1280    3.9083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.3362    3.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1280    5.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5559   18.4188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2388   15.6171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (533)
533

>  <Formula> (533)
C56H96N10O19

>  <MolWeight> (533)
1213.41704

>  <Item Name> (533)
Caspofungin Acetate

>  <Catalog Number> (533)
S3073

>  <Synonyms> (533)
N/A

>  <Target> (533)
Antifection

>  <Form> (533)
diacetate

>  <URL> (533)
http://www.selleckchem.com/products/caspofungin-acetate.html

>  <CAS Number> (533)
179463-17-3

$$$$
INVEGA (paliperidone).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (534)
534

>  <Formula> (534)
C23H27FN4O3

>  <MolWeight> (534)
426.4838832

>  <Item Name> (534)
Paliperidone

>  <Catalog Number> (534)
S1724

>  <Synonyms> (534)
N/A

>  <Target> (534)
Dopamine Receptor

>  <Form> (534)
Free Base

>  <URL> (534)
http://www.selleckchem.com/products/Paliperidone(Invega).html

>  <CAS Number> (534)
144598-75-4

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (535)
535

>  <Formula> (535)
C44H69NO12

>  <MolWeight> (535)
804.01816

>  <Item Name> (535)
Tacrolimus (FK506)

>  <Catalog Number> (535)
S5003

>  <Synonyms> (535)
FR900506

>  <Target> (535)
mTOR

>  <Form> (535)
Free Base

>  <URL> (535)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

>  <CAS Number> (535)
104987-11-3

$$$$
Teicoplanin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (540)
540

>  <Formula> (540)
C28H24Cl2FN5O2

>  <MolWeight> (540)
552.4268632

>  <Item Name> (540)
ARQ 621

>  <Catalog Number> (540)
S7355

>  <Synonyms> (540)
N/A

>  <Target> (540)
Kinesin

>  <Form> (540)
Free Base

>  <URL> (540)
http://www.selleckchem.com/products/arq-621.html

>  <CAS Number> (540)
1095253-39-6

$$$$
Sabutoclax(BI-97C1).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (541)
541

>  <Formula> (541)
C42H40N2O8

>  <MolWeight> (541)
700.7756

>  <Item Name> (541)
Sabutoclax

>  <Catalog Number> (541)
S8061

>  <Synonyms> (541)
BI-97C1

>  <Target> (541)
Bcl-2

>  <Form> (541)
Free Base

>  <URL> (541)
http://www.selleckchem.com/products/sabutoclax.html

>  <CAS Number> (541)
1228108-65-3

$$$$
Lomitapide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (542)
542

>  <Formula> (542)
C39H37F6N3O2

>  <MolWeight> (542)
693.7203992

>  <Item Name> (542)
Lomitapide

>  <Catalog Number> (542)
S7635

>  <Synonyms> (542)
N/A

>  <Target> (542)
Others

>  <Form> (542)
Free Base

>  <URL> (542)
http://www.selleckchem.com/products/lomitapide.html

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   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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 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
    2.4249    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    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
  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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 15  6  1  1  0  0  0
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 19 20  1  0  0  0  0
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 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  2  0  0  0  0
 23 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 29  1  6  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  2  0  0  0  0
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 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
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 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 41  1  0  0  0  0
M  END
>  <Mol_ID> (547)
547

>  <Formula> (547)
C31H42FN3O12

>  <MolWeight> (547)
667.6764832

>  <Item Name> (547)
Z-DEVD-FMK

>  <Catalog Number> (547)
S7312

>  <Synonyms> (547)
Caspase-3 Inhibitor

>  <Target> (547)
Caspase

>  <Form> (547)
Free Base

>  <URL> (547)
http://www.selleckchem.com/products/z-devd-fmk.html

>  <CAS Number> (547)
210344-95-9

$$$$
PFI-3.cdx
csChFnd80/10101813242D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  1  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
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2646    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 N   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
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 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 10  1  0  0  0  0
 11 16  1  1  0  0  0
 14 16  1  1  0  0  0
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (548)
548

>  <Formula> (548)
C19H19N3O2

>  <MolWeight> (548)
321.37306

>  <Item Name> (548)
PFI-3

>  <Catalog Number> (548)
S7315

>  <Synonyms> (548)
N/A

>  <Target> (548)
Epigenetic Reader Domain

>  <Form> (548)
Free Base

>  <URL> (548)
http://www.selleckchem.com/products/pfi-3.html

$$$$
Erythromycin cyclocarbonate.cdx
csChFnd80/10101813242D

 56 59  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   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 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.5492    4.9000    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
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  1  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    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 23  9  1  0  0  0  0
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 36 40  1  1  0  0  0
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 46 47  1  0  0  0  0
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 49 50  1  0  0  0  0
 50 45  1  0  0  0  0
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 49 53  1  0  0  0  0
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 49 55  1  6  0  0  0
 45 56  1  6  0  0  0
M  END
>  <Mol_ID> (549)
549

>  <Formula> (549)
C38H65NO14

>  <MolWeight> (549)
759.921

>  <Item Name> (549)
Erythromycin Cyclocarbonate

>  <Catalog Number> (549)
S7550

>  <Synonyms> (549)
N/A

>  <Target> (549)
Antifection

>  <Form> (549)
Free Base

>  <URL> (549)
http://www.selleckchem.com/products/erythromycin-cyclocarbonate.html

>  <CAS Number> (549)
55224-05-0

$$$$
PF-04449913.cdx
csChFnd80/10101813242D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.7171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 10  8  1  6  0  0  0
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 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 20  1  0  0  0  0
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 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  3  0  0  0  0
M  END
>  <Mol_ID> (550)
550

>  <Formula> (550)
C21H22N6O

>  <MolWeight> (550)
374.43898

>  <Item Name> (550)
Glasdegib (PF-04449913)

>  <Catalog Number> (550)
S7160

>  <Synonyms> (550)
N/A

>  <Target> (550)
Hedgehog/Smoothened

>  <Form> (550)
Free Base

>  <URL> (550)
http://www.selleckchem.com/products/glasdegib-pf-04449913.html

>  <CAS Number> (550)
1095173-27-5

$$$$
LCL161.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (551)
551

>  <Formula> (551)
C26H33FN4O3S

>  <MolWeight> (551)
500.6286232

>  <Item Name> (551)
LCL161

>  <Catalog Number> (551)
S7009

>  <Synonyms> (551)
N/A

>  <Target> (551)
IAP

>  <Form> (551)
Free Base

>  <URL> (551)
http://www.selleckchem.com/products/lcl161.html

>  <CAS Number> (551)
1005342-46-0

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (552)
552

>  <Formula> (552)
C15H17ClIN3O3

>  <MolWeight> (552)
449.67125

>  <Item Name> (552)
K-Ras(G12C) inhibitor 12

>  <Catalog Number> (552)
S7331

>  <Synonyms> (552)
N/A

>  <Target> (552)
Rho

>  <Form> (552)
Free Base

>  <URL> (552)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

>  <CAS Number> (552)
1469337-95-8

$$$$
Tasquinimod .cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (553)
553

>  <Formula> (553)
C20H17F3N2O4

>  <MolWeight> (553)
406.3551896

>  <Item Name> (553)
Tasquinimod

>  <Catalog Number> (553)
S7617

>  <Synonyms> (553)
ABR-215050

>  <Target> (553)
HDAC

>  <Form> (553)
Free Base

>  <URL> (553)
http://www.selleckchem.com/products/tasquinimod.html

>  <CAS Number> (553)
254964-60-8

$$$$
AGK 2.cdx
csChFnd80/10101813242D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (554)
554

>  <Formula> (554)
C23H13Cl2N3O2

>  <MolWeight> (554)
434.27422

>  <Item Name> (554)
AGK2

>  <Catalog Number> (554)
S7577

>  <Synonyms> (554)
N/A

>  <Target> (554)
Sirtuin

>  <Form> (554)
Free Base

>  <URL> (554)
http://www.selleckchem.com/products/agk2.html

>  <CAS Number> (554)
304896-28-4

$$$$
Anacardic Acid.cdx
csChFnd80/10101813242D

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   10.9119    0.0000    0.0000 C   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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   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6114    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C22H36O3

>  <MolWeight> (555)
348.51944

>  <Item Name> (555)
Anacardic Acid

>  <Catalog Number> (555)
S7582

>  <Synonyms> (555)
6-pentadecylsalicylic Acid

>  <Target> (555)
Histone Acetyltransferase

>  <Form> (555)
Free Base

>  <URL> (555)
http://www.selleckchem.com/products/anacardic-acid.html

>  <CAS Number> (555)
16611-84-0

$$$$
Abscisic acid.cdx
csChFnd80/10101813242D

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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6273    1.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (556)
556

>  <Formula> (556)
C15H20O4

>  <MolWeight> (556)
264.3169

>  <Item Name> (556)
Abscisic Acid (Dormin)

>  <Catalog Number> (556)
S7594

>  <Synonyms> (556)
Abscisin II

>  <Target> (556)
Others

>  <Form> (556)
Free Base

>  <URL> (556)
http://www.selleckchem.com/products/abscisic-acid-dormin.html

>  <CAS Number> (556)
21293-29-8

$$$$
GNF5837.cdx
csChFnd80/10101813242D

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    9.6702    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4652    4.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4652    3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5930    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
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 31 32  1  0  0  0  0
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 10 35  1  0  0  0  0
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 39 26  2  0  0  0  0
M  END
>  <Mol_ID> (557)
557

>  <Formula> (557)
C28H21F4N5O2

>  <MolWeight> (557)
535.4922528

>  <Item Name> (557)
GNF-5837

>  <Catalog Number> (557)
S7519

>  <Synonyms> (557)
N/A

>  <Target> (557)
Trk receptor

>  <Form> (557)
Free Base

>  <URL> (557)
http://www.selleckchem.com/products/gnf-5837.html

>  <CAS Number> (557)
1033769-28-6

$$$$
WS6 .cdx
csChFnd80/10101813242D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (558)
558

>  <Formula> (558)
C29H31F3N6O3

>  <MolWeight> (558)
568.5900496

>  <Item Name> (558)
WS6

>  <Catalog Number> (558)
S7442

>  <Synonyms> (558)
N/A

>  <Target> (558)
I¦ÊB/IKK

>  <Form> (558)
Free Base

>  <URL> (558)
http://www.selleckchem.com/products/ws6.html

>  <CAS Number> (558)
1421227-53-3

$$$$
MG 101.cdx
csChFnd80/10101813242D

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Cysteine Protease

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110044-82-1

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5690-03-9

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FGFR

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>  <Mol_ID> (564)
564

>  <Formula> (564)
C23H25F4N3O3S

>  <MolWeight> (564)
499.5215128

>  <Item Name> (564)
PFI-2 HCl

>  <Catalog Number> (564)
S7294

>  <Synonyms> (564)
N/A

>  <Target> (564)
Histone Methyltransferase

>  <Form> (564)
Hydrochloride

>  <URL> (564)
http://www.selleckchem.com/products/pfi-2.html

>  <CAS Number> (564)
1627676-59-8

$$$$
MI-3.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (565)
565

>  <Formula> (565)
C18H25N5S2

>  <MolWeight> (565)
375.5546

>  <Item Name> (565)
MI-3 (Menin-MLL Inhibitor)

>  <Catalog Number> (565)
S7619

>  <Synonyms> (565)
N/A

>  <Target> (565)
Histone Methyltransferase

>  <Form> (565)
Free Base

>  <URL> (565)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

>  <CAS Number> (565)
1271738-59-0

$$$$
LY2119620.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (566)
566

>  <Formula> (566)
C19H24ClN5O3S

>  <MolWeight> (566)
437.94356

>  <Item Name> (566)
LY2119620

>  <Catalog Number> (566)
S7366

>  <Synonyms> (566)
N/A

>  <Target> (566)
AChR

>  <Form> (566)
Free Base

>  <URL> (566)
http://www.selleckchem.com/products/ly2119620.html

>  <CAS Number> (566)
886047-22-9

$$$$
Remodelin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (567)
567

>  <Formula> (567)
C15H15BrN4S

>  <MolWeight> (567)
363.2754

>  <Item Name> (567)
Remodelin

>  <Catalog Number> (567)
S7641

>  <Synonyms> (567)
N/A

>  <Target> (567)
Histone Acetyltransferase

>  <Form> (567)
hydrochloride salt

>  <URL> (567)
http://www.selleckchem.com/products/remodelin.html

>  <CAS Number> (567)
1622921-15-6

$$$$
GSK650394.cdx
csChFnd80/10101813242D

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890842-28-1

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1457983-28-6

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TGF-beta/Smad

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http://www.selleckchem.com/products/ew-7197.html

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1352608-82-2

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TGF-beta/Smad

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4727-31-5

$$$$
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   29.0076    4.0295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.3077    5.2419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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A   16
R
A   42
R
A   84
*
A   85
*
M  END
>  <Mol_ID> (572)
572

>  <Formula> (572)
C33H47N3O39R4S6-8

>  <MolWeight> (572)
1302.11298

>  <Item Name> (572)
Heparin sodium

>  <Catalog Number> (572)
S1346

>  <Synonyms> (572)
N/A

>  <Target> (572)
Others

>  <Form> (572)
Sodium salt

>  <URL> (572)
http://www.selleckchem.com/products/Heparin-sodium.html

>  <CAS Number> (572)
9041-08-1

$$$$
Nedaplatin.cdx
csChFnd80/10101813242D
CFW_RXN
  8  6  0  0  0  0  0  0  0  0999 V2000
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A    7
;H3N
A    8
;H3N
M  END
>  <Mol_ID> (573)
573

>  <Formula> (573)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (573)
269.11348

>  <Item Name> (573)
Nedaplatin

>  <Catalog Number> (573)
S1826

>  <Synonyms> (573)
N/A

>  <Target> (573)
DNA/RNA Synthesis

>  <Form> (573)
Free Base

>  <URL> (573)
http://www.selleckchem.com/products/nedaplatin-aqupla.html

>  <CAS Number> (573)
95734-82-0

$$$$
Clopidol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (574)
574

>  <Formula> (574)
C7H7Cl2NO

>  <MolWeight> (574)
192.04258

>  <Item Name> (574)
Clopidol

>  <Catalog Number> (574)
S4142

>  <Synonyms> (574)
N/A

>  <Target> (574)
Antifection

>  <Form> (574)
Free Base

>  <URL> (574)
http://www.selleckchem.com/products/clopidol.html

>  <CAS Number> (574)
2971-90-6

$$$$
VS-5584 (SB2343).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (575)
575

>  <Formula> (575)
C17H22N8O

>  <MolWeight> (575)
354.40958

>  <Item Name> (575)
VS-5584 (SB2343)

>  <Catalog Number> (575)
S7016

>  <Synonyms> (575)
N/A

>  <Target> (575)
PI3K

>  <Form> (575)
Free Base

>  <URL> (575)
http://www.selleckchem.com/products/vs-5584-sb2343.html

>  <CAS Number> (575)
1246560-33-7

$$$$
GF 109203X(G 6850).cdx
csChFnd80/10101813242D

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PKC

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133052-90-1

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PLK

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Free Base

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http://www.selleckchem.com/products/ro3280.html

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1062243-51-9

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PARP

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>  <URL> (578)
http://www.selleckchem.com/products/pj34-hcl.html

>  <CAS Number> (578)
344458-15-7

$$$$
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>  <URL> (579)
http://www.selleckchem.com/products/bay-11-7085.html

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196309-76-9

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JNK Inhibitor IX.cdx
csChFnd80/10101813242D

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580

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>  <Synonyms> (580)
TCS JNK 5a

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JNK

>  <Form> (580)
Free Base

>  <URL> (580)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

>  <CAS Number> (580)
312917-14-9

$$$$
Nutlin-3b.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (581)
581

>  <Formula> (581)
C30H30Cl2N4O4

>  <MolWeight> (581)
581.4896

>  <Item Name> (581)
Nutlin-3b

>  <Catalog Number> (581)
S8065

>  <Synonyms> (581)
(+)-Nutlin-3

>  <Target> (581)
Mdm2

>  <Form> (581)
Free Base

>  <URL> (581)
http://www.selleckchem.com/products/nutlin-3b.html

>  <CAS Number> (581)
675576-97-3

$$$$
Blasticidin S hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (582)
582

>  <Formula> (582)
C17H27ClN8O5

>  <MolWeight> (582)
458.89988

>  <Item Name> (582)
Blasticidin S HCl

>  <Catalog Number> (582)
S7419

>  <Synonyms> (582)
Blasticidine S HCl

>  <Target> (582)
DNA/RNA Synthesis

>  <Form> (582)
hydrochloride salt

>  <URL> (582)
http://www.selleckchem.com/products/blasticidin-s-hcl.html

>  <CAS Number> (582)
3513-03-9

$$$$
WS3.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (583)
583

>  <Formula> (583)
C28H30F3N7O3

>  <MolWeight> (583)
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>  <Item Name> (583)
WS3

>  <Catalog Number> (583)
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>  <Synonyms> (583)
N/A

>  <Target> (583)
I¦ÊB/IKK

>  <Form> (583)
Free Base

>  <URL> (583)
http://www.selleckchem.com/products/ws3.html

>  <CAS Number> (583)
1421227-52-2

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/10101813242D

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JAK

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Hydrochloride

>  <URL> (584)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

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1369761-01-2

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Others

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Free Base

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http://www.selleckchem.com/products/cid755673.html

>  <CAS Number> (585)
521937-07-5

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csChFnd80/10101813242D

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586

>  <Formula> (586)
C26H44O4

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>  <Item Name> (586)
Obeticholic Acid

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S7660

>  <Synonyms> (586)
INT-747, 6-ECDCA

>  <Target> (586)
FXR

>  <Form> (586)
Free Base

>  <CAS Number> (586)
459789-99-2

$$$$
RG7388.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (587)
587

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N/A

>  <Target> (587)
Mdm2

>  <Form> (587)
Free Base

>  <URL> (587)
http://www.selleckchem.com/products/idasanutlin-rg-7388.html

>  <CAS Number> (587)
1229705-06-9

$$$$
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csChFnd80/10101813242D

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588

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C18H28ClN3O5S

>  <MolWeight> (588)
433.95002

>  <Item Name> (588)
Hydroxychloroquine Sulfate

>  <Catalog Number> (588)
S4430

>  <Synonyms> (588)
N/A

>  <Target> (588)
Autophagy

>  <Form> (588)
Sulfate

>  <URL> (588)
http://www.selleckchem.com/products/hydroxychloroquine-sulfate.html

>  <CAS Number> (588)
747-36-4

$$$$
SB225002.cdx
csChFnd80/10101813242D

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SB225002

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S7651

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N/A

>  <Target> (589)
CXCR

>  <Form> (589)
Free Base

>  <URL> (589)
http://www.selleckchem.com/products/sb225002.html

>  <CAS Number> (589)
182498-32-4

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/10101813242D

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590

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C18H25N5S2

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375.5546

>  <Item Name> (590)
MI-2 (Menin-MLL inhibitor)

>  <Catalog Number> (590)
S7618

>  <Synonyms> (590)
N/A

>  <Target> (590)
Histone Methyltransferase

>  <Form> (590)
Free Base

>  <URL> (590)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

>  <CAS Number> (590)
1271738-62-5

$$$$
3469-LCZ696.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (591)
591

>  <Formula> (591)
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>  <MolWeight> (591)
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>  <Item Name> (591)
LCZ696

>  <Catalog Number> (591)
S7678

>  <Synonyms> (591)
N/A

>  <Target> (591)
RAAS

>  <Form> (591)
Sodium salt hydrate

>  <URL> (591)
http://www.selleckchem.com/products/lcz696.html

>  <CAS Number> (591)
936623-90-4

$$$$
PF-06463922.cdx
csChFnd80/10101813242D

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ALK

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1454846-35-5

$$$$
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>  <Target> (593)
JNK

>  <Form> (593)
Free Base

>  <URL> (593)
http://www.selleckchem.com/products/dtp3.html

>  <CAS Number> (593)
no

$$$$
Ledipasvir (GS5885) .cdx
csChFnd80/10101813242D

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HCV Protease

>  <Form> (594)
Free Base

>  <URL> (594)
http://www.selleckchem.com/products/ledipasvir-gs5885.html

>  <CAS Number> (594)
1256388-51-8

$$$$
KPT-335.cdx
csChFnd80/10101813242D

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361185-42-4

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Histone Demethylase

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1423715-09-6

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599

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C22H45N5O16S

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Isepamicin Sulphate

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S4271

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Isepamicine (Isepamycin, sch21420) Sulphate

>  <Target> (599)
Antifection

>  <Form> (599)
Sulphate

>  <URL> (599)
http://www.selleckchem.com/products/isepamicin-sulphate.html

>  <CAS Number> (599)
67814-76-0

$$$$
EI1.cdx
csChFnd80/10101813242D

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600

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C23H26N4O2

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EI1

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S7611

>  <Synonyms> (600)
N/A

>  <Target> (600)
Histone Methyltransferase

>  <Form> (600)
Free Base

>  <URL> (600)
http://www.selleckchem.com/products/ei1.html

>  <CAS Number> (600)
1418308-27-6

$$$$
ML141.cdx
csChFnd80/10101813242D

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601

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ML141

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S7686

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CID-2950007

>  <Target> (601)
Rho

>  <Form> (601)
Free Base

>  <URL> (601)
http://www.selleckchem.com/products/ml141.html

>  <CAS Number> (601)
71203-35-5

$$$$
BRD4770.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (602)
602

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>  <Synonyms> (602)
N/A

>  <Target> (602)
Histone Methyltransferase

>  <Form> (602)
Free Base

>  <URL> (602)
http://www.selleckchem.com/products/brd4770.html

>  <CAS Number> (602)
1374601-40-7

$$$$
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csChFnd80/10101813242D

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M  END
>  <Mol_ID> (603)
603

>  <Formula> (603)
C13H20Cl4N2O3

>  <MolWeight> (603)
394.1215

>  <Item Name> (603)
PX-478 2HCl

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S7612

>  <Synonyms> (603)
N/A

>  <Target> (603)
HIF

>  <Form> (603)
Dihydrochlorid

>  <URL> (603)
http://www.selleckchem.com/products/px-478-2hcl.html

>  <CAS Number> (603)
685898-44-6

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (604)
604

>  <Formula> (604)
C22H22O8

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414.40528

>  <Item Name> (604)
Picropodophyllin (PPP)

>  <Catalog Number> (604)
S7668

>  <Synonyms> (604)
AXL1717

>  <Target> (604)
IGF-1R

>  <Form> (604)
Free Base

>  <URL> (604)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

>  <CAS Number> (604)
477-47-4

$$$$
YK-4-279.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (605)
605

>  <Formula> (605)
C17H13Cl2NO4

>  <MolWeight> (605)
366.19542

>  <Item Name> (605)
YK-4-279

>  <Catalog Number> (605)
S7679

>  <Synonyms> (605)
N/A

>  <Target> (605)
DNA/RNA Synthesis

>  <Form> (605)
Free Base

>  <URL> (605)
http://www.selleckchem.com/products/yk-4-279.html

>  <CAS Number> (605)
1037184-44-3

$$$$
Reversine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (606)
606

>  <Formula> (606)
C21H27N7O

>  <MolWeight> (606)
393.48538

>  <Item Name> (606)
Reversine

>  <Catalog Number> (606)
S7588

>  <Synonyms> (606)
N/A

>  <Target> (606)
Adenosine Receptor

>  <Form> (606)
Free Base

>  <URL> (606)
http://www.selleckchem.com/products/reversine.html

>  <CAS Number> (606)
656820-32-5

$$$$
CAY10603.cdx
csChFnd80/10101813242D

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csChFnd80/10101813242D

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BMH-21

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>  <Target> (613)
DNA/RNA Synthesis

>  <Form> (613)
Free Base

>  <URL> (613)
http://www.selleckchem.com/products/bmh-21.html

>  <CAS Number> (613)
896705-16-1

$$$$
PND-1186 (VS-471).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (614)
614

>  <Formula> (614)
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>  <Item Name> (614)
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>  <Catalog Number> (614)
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>  <Synonyms> (614)
SR-2156

>  <Target> (614)
FAK

>  <Form> (614)
Free Base

>  <URL> (614)
http://www.selleckchem.com/products/pnd-1186-vs-4718.html

>  <CAS Number> (614)
1061353-68-1

$$$$
Defactinib.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (615)
615

>  <Formula> (615)
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>  <MolWeight> (615)
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>  <Item Name> (615)
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>  <Synonyms> (615)
VS-6063, PF-04554878

>  <Target> (615)
FAK

>  <Form> (615)
Free Base

>  <URL> (615)
http://www.selleckchem.com/products/defactinib.html

>  <CAS Number> (615)
1073154-85-4

$$$$
TAI-1.cdx
csChFnd80/10101813242D

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Microtubule Associated

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S6 Kinase

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1082949-67-4

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ML234.cdx
csChFnd80/10101813242D

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Histone Demethylase

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Free Base

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1222800-79-4

$$$$
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Edoxaban tosylate Monohydrate

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tosylate hydrate

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1229194-11-9

$$$$
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csChFnd80/10101813242D

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HDAC

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910462-43-0

$$$$
TH588.cdx
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PI3K

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http://www.selleckchem.com/products/pi-3065.html

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955977-50-1

$$$$
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csChFnd80/10101813242D

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>  <Synonyms> (630)
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>  <Target> (630)
S1P Receptor

>  <Form> (630)
Free Base

>  <URL> (630)
http://www.selleckchem.com/products/baf312-siponimod.html

>  <CAS Number> (630)
1230487-00-9

$$$$
FTI 277 HCl.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (631)
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N/A

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Transferase

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hydrochloride salt

>  <URL> (631)
http://www.selleckchem.com/products/fti-277-hcl.html

>  <CAS Number> (631)
180977-34-8

$$$$
GKT137831.cdx
csChFnd80/10101813242D

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>  <Target> (632)
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>  <CAS Number> (632)
1218942-37-0

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/10101813242D

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1052532-15-6

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188011-69-0

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162520-00-5

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627536-09-8

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S6 Kinase

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Free Base

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http://www.selleckchem.com/products/ly2584702-tosylate.html

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1082949-68-5

$$$$
RN486.cdx
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BTK

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Free Base

>  <URL> (644)
http://www.selleckchem.com/products/rn486.html

>  <CAS Number> (644)
no

$$$$
Dovitinib Lactate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (645)
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Dovitinib (TKI258) Lactate

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N/A

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FLT3

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Lactate

>  <URL> (645)
http://www.selleckchem.com/products/dovitinib-tki258-lactate.html

>  <CAS Number> (645)
915769-50-5

$$$$
BLZ945.cdx
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301326-22-7

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1431368-48-7

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Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/gsk126.html

>  <CAS Number> (655)
1346574-57-9

$$$$
GSK1265744.cdx
csChFnd80/10101813242D

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Integrase

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Free Base

>  <URL> (656)
http://www.selleckchem.com/products/cabotegravir-gsk744-gsk1265744.html

>  <CAS Number> (656)
1051375-10-0

$$$$
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csChFnd80/10101813242D

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RP56976 (NSC 628503) Trihydrate

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Microtubule Associated

>  <Form> (657)
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>  <URL> (657)
http://www.selleckchem.com/products/docetaxel-trihydrate.html

>  <CAS Number> (657)
148408-66-6

$$$$
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csChFnd80/10101813242D

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Pemetrexed Disodium Hydrate

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S7785

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LY-231514 Disodium Hydrate

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DHFR

>  <Form> (658)
Disodium Hydrate

>  <URL> (658)
http://www.selleckchem.com/products/pemetrexed-disodium-hydrate.html

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357166-30-4

$$$$
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N/A

>  <Target> (659)
Histone Methyltransferase

>  <Form> (659)
Free Base

>  <URL> (659)
http://www.selleckchem.com/products/epz015666.html

>  <CAS Number> (659)
1616391-65-1

$$$$
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660

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ANA-12

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S7745

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N/A

>  <Target> (660)
Trk receptor

>  <Form> (660)
Free Base

>  <URL> (660)
http://www.selleckchem.com/products/ana-12.html

>  <CAS Number> (660)
219766-25-3

$$$$
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Sunitinib

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SU11248

>  <Target> (661)
PDGFR

>  <Form> (661)
Free Base

>  <URL> (661)
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>  <CAS Number> (661)
557795-19-4

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N/A

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P-gp

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Free Base

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http://www.selleckchem.com/products/elacridar-gf120918.html

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143664-11-3

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csChFnd80/10101813242D

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>  <Target> (663)
EGFR

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Free Base

>  <URL> (663)
http://www.selleckchem.com/products/erlotinib.html

>  <CAS Number> (663)
183321-74-6

$$$$
LB-100.cdx
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N/A

>  <Target> (664)
phosphatase

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Free Base

>  <URL> (664)
http://www.selleckchem.com/products/lb-100.html

>  <CAS Number> (664)
1026680-07-8

$$$$
CL-387785.cdx
csChFnd80/10101813242D

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>  <Formula> (665)
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N/A

>  <Target> (665)
EGFR

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Free Base

>  <URL> (665)
http://www.selleckchem.com/products/cl-387785-eki-785.html

>  <CAS Number> (665)
194423-06-8

$$$$
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307543-71-1

$$$$
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PAK

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1286739-19-2

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csChFnd80/10101813242D

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Microtubule Associated

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Free Base

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>  <CAS Number> (672)
117048-59-6

$$$$
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M  END
>  <Mol_ID> (684)
684

>  <Formula> (684)
C33H33N3O15

>  <MolWeight> (684)
711.62622

>  <Item Name> (684)
BRD7552

>  <Catalog Number> (684)
S7363

>  <Synonyms> (684)
N/A

>  <Target> (684)
Others

>  <Form> (684)
Free Base

>  <URL> (684)
http://www.selleckchem.com/products/brd7552.html

>  <CAS Number> (684)
1137359-47-7

$$$$
Purvalanol A.cdx
csChFnd80/10101813242D

 27 29  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
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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M  END
>  <Mol_ID> (685)
685

>  <Formula> (685)
C19H25ClN6O

>  <MolWeight> (685)
388.8944

>  <Item Name> (685)
Purvalanol A

>  <Catalog Number> (685)
S7793

>  <Synonyms> (685)
N/A

>  <Target> (685)
CDK

>  <Form> (685)
Free Base

>  <URL> (685)
http://www.selleckchem.com/products/purvalanol-a.html

>  <CAS Number> (685)
212844-53-6

$$$$
AZD2932.cdx
csChFnd80/10101813242D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (686)
686

>  <Formula> (686)
C24H25N5O4

>  <MolWeight> (686)
447.4864

>  <Item Name> (686)
AZD2932

>  <Catalog Number> (686)
S7003

>  <Synonyms> (686)
N/A

>  <Target> (686)
PDGFR

>  <Form> (686)
Free Base

>  <URL> (686)
http://www.selleckchem.com/products/azd2932.html

>  <CAS Number> (686)
883986-34-3

$$$$
NU1025.cdx
csChFnd80/10101813242D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (687)
687

>  <Formula> (687)
C9H8N2O2

>  <MolWeight> (687)
176.17202

>  <Item Name> (687)
NU1025

>  <Catalog Number> (687)
S7730

>  <Synonyms> (687)
NSC 696807

>  <Target> (687)
PARP

>  <Form> (687)
Free Base

>  <URL> (687)
http://www.selleckchem.com/products/nu1025.html

>  <CAS Number> (687)
90417-38-2

$$$$
Marimastat (BB-25.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (688)
688

>  <Formula> (688)
C15H29N3O5

>  <MolWeight> (688)
331.40786

>  <Item Name> (688)
Marimastat (BB-2516)

>  <Catalog Number> (688)
S7156

>  <Synonyms> (688)
N/A

>  <Target> (688)
MMP

>  <Form> (688)
Free Base

>  <URL> (688)
http://www.selleckchem.com/products/marimastat.html

>  <CAS Number> (688)
154039-60-8

$$$$
Anisomycin.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
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Anisomycin

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S7409

>  <Synonyms> (689)
Flagecidin 

>  <Target> (689)
JNK

>  <Form> (689)
Free Base

>  <URL> (689)
http://www.selleckchem.com/products/anisomycin.html

>  <CAS Number> (689)
22862-76-6

$$$$
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mTOR

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Free Base

>  <URL> (690)
http://www.selleckchem.com/products/mhy1485.html

>  <CAS Number> (690)
326914-06-1

$$$$
ERK5-IN-1.cdx
csChFnd80/10101813242D

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ERK

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>  <URL> (691)
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1435488-37-1

$$$$
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>  <URL> (692)
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330161-87-0

$$$$
A-438079 HCl.cdx
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http://www.selleckchem.com/products/knk437.html

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218924-25-5

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N/A

>  <Target> (697)
PI3K

>  <Form> (697)
Free Base

>  <URL> (697)
http://www.selleckchem.com/products/pilaralisib-xl147.html

>  <CAS Number> (697)
934526-89-3

$$$$
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R
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R=
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or
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or
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M  END
>  <Mol_ID> (698)
698

>  <Formula> (698)
C27H64N7O11R4S

>  <MolWeight> (698)
694.90236

>  <Item Name> (698)
Gentamicin Sulfate

>  <Catalog Number> (698)
S4030

>  <Synonyms> (698)
NSC-82261, SCH9724

>  <Target> (698)
Antifection

>  <Form> (698)
Sulfate

>  <URL> (698)
http://www.selleckchem.com/products/gentamicin-sulfate.html

>  <CAS Number> (698)
1405-41-0

$$$$
AT7519 HCl.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (699)
699

>  <Formula> (699)
C16H18Cl3N5O2

>  <MolWeight> (699)
418.70542

>  <Item Name> (699)
AT7519 HCl

>  <Catalog Number> (699)
S7808

>  <Synonyms> (699)
N/A

>  <Target> (699)
CDK

>  <Form> (699)
Hydrochloride

>  <URL> (699)
http://www.selleckchem.com/products/at7519-hcl.html

>  <CAS Number> (699)
902135-91-5

$$$$
VER155008.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (700)
700

>  <Formula> (700)
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>  <Item Name> (700)
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>  <Synonyms> (700)
C07

>  <Target> (700)
HSP (e.g. HSP90)

>  <Form> (700)
Free Base

>  <URL> (700)
http://www.selleckchem.com/products/ver155008.html

>  <CAS Number> (700)
1134156-31-2

$$$$
ARRY-614.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (701)
701

>  <Formula> (701)
C31H33FN6O3

>  <MolWeight> (701)
556.6305232

>  <Item Name> (701)
Pexmetinib (ARRY-614)

>  <Catalog Number> (701)
S7799

>  <Synonyms> (701)
N/A

>  <Target> (701)
p38 MAPK

>  <Form> (701)
Free Base

>  <URL> (701)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

>  <CAS Number> (701)
945614-12-0

$$$$
Pyridostatin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (702)
702

>  <Formula> (702)
C33H33F3N8O7

>  <MolWeight> (702)
710.6597296

>  <Item Name> (702)
Pyridostatin Trifluoroacetate Salt

>  <Catalog Number> (702)
S7444

>  <Synonyms> (702)
N/A

>  <Target> (702)
DNA/RNA Synthesis

>  <Form> (702)
trifluoroacetat

>  <URL> (702)
http://www.selleckchem.com/products/pyridostatin-trifluoroacetate-salt.html

>  <CAS Number> (702)
1085412-37-8

$$$$
LY3009120.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (703)
703

>  <Formula> (703)
C23H29FN6O

>  <MolWeight> (703)
424.5143632

>  <Item Name> (703)
LY3009120

>  <Catalog Number> (703)
S7842

>  <Synonyms> (703)
N/A

>  <Target> (703)
Raf

>  <Form> (703)
Free Base

>  <URL> (703)
http://www.selleckchem.com/products/ly3009120.html

>  <CAS Number> (703)
1454682-72-4

$$$$
GSK J1.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (708)
708

>  <Formula> (708)
C21H21F3IN3O2

>  <MolWeight> (708)
531.3100196

>  <Item Name> (708)
Cobimetinib (GDC-0973, RG7420)

>  <Catalog Number> (708)
S8041

>  <Synonyms> (708)
XL518

>  <Target> (708)
MEK

>  <Form> (708)
Free Base

>  <URL> (708)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

>  <CAS Number> (708)
934660-93-2

$$$$
BVD-523.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (709)
709

>  <Formula> (709)
C21H22Cl2N4O2

>  <MolWeight> (709)
433.33098

>  <Item Name> (709)
Ulixertinib (BVD-523, VRT752271)

>  <Catalog Number> (709)
S7854

>  <Synonyms> (709)
N/A

>  <Target> (709)
ERK

>  <Form> (709)
Free Base

>  <URL> (709)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

>  <CAS Number> (709)
869886-67-9

$$$$
Tenofovir alafenamide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (710)
710

>  <Formula> (710)
C21H29N6O5P

>  <MolWeight> (710)
476.465921

>  <Item Name> (710)
Tenofovir Alafenamide (GS-7340)

>  <Catalog Number> (710)
S7856

>  <Synonyms> (710)
N/A

>  <Target> (710)
Reverse Transcriptase

>  <Form> (710)
Free Base

>  <URL> (710)
http://www.selleckchem.com/products/tenofovir-alafenamide-gs-7340.html

>  <CAS Number> (710)
379270-37-8

$$$$
BPTES.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (711)
711

>  <Formula> (711)
C24H24N6O2S3

>  <MolWeight> (711)
524.68136

>  <Item Name> (711)
BPTES

>  <Catalog Number> (711)
S7753

>  <Synonyms> (711)
N/A

>  <Target> (711)
Glutaminase

>  <Form> (711)
Free Base

>  <URL> (711)
http://www.selleckchem.com/products/bptes.html

>  <CAS Number> (711)
314045-39-1

$$$$
Dorsomorphin.cdx
csChFnd80/10101813242D

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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (712)
712

>  <Formula> (712)
C24H25N5O

>  <MolWeight> (712)
399.4882

>  <Item Name> (712)
Dorsomorphin (Compound C)

>  <Catalog Number> (712)
S7840

>  <Synonyms> (712)
Compound C, BML-275

>  <Target> (712)
AMPK

>  <Form> (712)
Free Base

>  <URL> (712)
http://www.selleckchem.com/products/dorsomorphin.html

>  <CAS Number> (712)
866405-64-3

$$$$
Licochalcone A.cdx
csChFnd80/10101813242D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
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 25 19  1  0  0  0  0
M  END
>  <Mol_ID> (713)
713

>  <Formula> (713)
C21H22O4

>  <MolWeight> (713)
338.39698

>  <Item Name> (713)
Licochalcone A

>  <Catalog Number> (713)
S7828

>  <Synonyms> (713)
N/A

>  <Target> (713)
Estrogen/progestogen Receptor

>  <Form> (713)
Free Base

>  <URL> (713)
http://www.selleckchem.com/products/licochalcone-a.html

>  <CAS Number> (713)
58749-22-7

$$$$
E3330.cdx
csChFnd80/10101813242D

 27 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (714)
714

>  <Formula> (714)
C21H30O6

>  <MolWeight> (714)
378.4593

>  <Item Name> (714)
E3330

>  <Catalog Number> (714)
S7445

>  <Synonyms> (714)
N/A

>  <Target> (714)
DNA/RNA Synthesis

>  <Form> (714)
Free Base

>  <URL> (714)
http://www.selleckchem.com/products/e3330.html

>  <CAS Number> (714)
136164-66-4

$$$$
Endoxifen HCl.cdx
csChFnd80/10101813242D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (715)
715

>  <Formula> (715)
C25H28ClNO2

>  <MolWeight> (715)
409.94832

>  <Item Name> (715)
Endoxifen HCl

>  <Catalog Number> (715)
S7839

>  <Synonyms> (715)
N/A

>  <Target> (715)
Estrogen/progestogen Receptor

>  <Form> (715)
Hydrochloride

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

>  <CAS Number> (715)
1032008-74-4

$$$$
CPI-169.cdx
csChFnd80/10101813242D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (716)
716

>  <Formula> (716)
C27H36N4O5S

>  <MolWeight> (716)
528.66354

>  <Item Name> (716)
CPI-169

>  <Catalog Number> (716)
S7616

>  <Synonyms> (716)
N/A

>  <Target> (716)
Histone Methyltransferase

>  <Form> (716)
Free Base

>  <URL> (716)
http://www.selleckchem.com/products/cpi-169.html

>  <CAS Number> (716)
1450655-76-1

$$$$
SC79.cdx
csChFnd80/10101813242D

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BACE

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http://www.selleckchem.com/products/azd3839.html

>  <CAS Number> (721)
1227163-84-9

$$$$
LRRK2-IN-1.cdx
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LRRK2

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Free Base

>  <URL> (722)
http://www.selleckchem.com/products/lrrk2-in-1.html

>  <CAS Number> (722)
1234480-84-2

$$$$
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csChFnd80/10101813242D

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ditrifluoroacetic acid

>  <URL> (723)
http://www.selleckchem.com/products/cyclo-rgdyk.html

>  <CAS Number> (723)
250612-42-1

$$$$
NPS-1034.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (724)
724

>  <Formula> (724)
C31H23F2N5O3

>  <MolWeight> (724)
551.5428264

>  <Item Name> (724)
NPS-1034

>  <Catalog Number> (724)
S7669

>  <Synonyms> (724)
N/A

>  <Target> (724)
c-Met

>  <Form> (724)
Free Base

>  <URL> (724)
http://www.selleckchem.com/products/nps-1034.html

>  <CAS Number> (724)
1221713-92-3

$$$$
KN-93 H3PO4.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (725)
725

>  <Formula> (725)
C26H32ClN2O8PS

>  <MolWeight> (725)
599.032641

>  <Item Name> (725)
KN-93 Phosphate

>  <Catalog Number> (725)
S7423

>  <Synonyms> (725)
N/A

>  <Target> (725)
CaMK

>  <Form> (725)
Free Base

>  <URL> (725)
http://www.selleckchem.com/products/kn-93-phosphate.html

>  <CAS Number> (725)
1188890-41-6

$$$$
S2597-Oseltamivir phosphate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (726)
726

>  <Formula> (726)
C16H31N2O8P

>  <MolWeight> (726)
410.399701

>  <Item Name> (726)
Oseltamivir Phosphate

>  <Catalog Number> (726)
S2597

>  <Synonyms> (726)
N/A

>  <Target> (726)
Antifection

>  <Form> (726)
Phosphate salt

>  <URL> (726)
http://www.selleckchem.com/products/oseltamivir-phosphate-Tamiflu.html

>  <CAS Number> (726)
204255-11-8

$$$$
S4117.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (727)
727

>  <Formula> (727)
C5H15N3O8P2

>  <MolWeight> (727)
307.135422

>  <Item Name> (727)
Histamine Phosphate

>  <Catalog Number> (727)
S4117

>  <Synonyms> (727)
N/A

>  <Target> (727)
Histamine Receptor

>  <Form> (727)
Free Base

>  <URL> (727)
http://www.selleckchem.com/products/histamine-phosphate.html

>  <CAS Number> (727)
51-74-1

$$$$
Dyngo-4a.cdx
csChFnd80/10101813242D

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728

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S7163

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N/A

>  <Target> (728)
Dynamin

>  <Form> (728)
Free Base

>  <URL> (728)
http://www.selleckchem.com/products/dyngo-4a.html

>  <CAS Number> (728)
1256493-34-1

$$$$
AMI-1.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (729)
729

>  <Formula> (729)
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>  <Item Name> (729)
AMI-1

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S7884

>  <Synonyms> (729)
N/A

>  <Target> (729)
Histone Methyltransferase

>  <Form> (729)
disodium salt

>  <URL> (729)
http://www.selleckchem.com/products/ami-1.html

>  <CAS Number> (729)
20324-87-2

$$$$
GDC0623.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (730)
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>  <Item Name> (730)
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S7553

>  <Synonyms> (730)
G-868

>  <Target> (730)
MEK

>  <Form> (730)
Free Base

>  <URL> (730)
http://www.selleckchem.com/products/gdc-0623.html

>  <CAS Number> (730)
1168091-68-6

$$$$
G007-LK.cdx
csChFnd80/10101813242D

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>  <Synonyms> (731)
N/A

>  <Target> (731)
PARP

>  <Form> (731)
Free Base

>  <URL> (731)
http://www.selleckchem.com/products/g007-lk.html

>  <CAS Number> (731)
1380672-07-0

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csChFnd80/10101813242D

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M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (735)
735

>  <Formula> (735)
C18H23N5NaO8P

>  <MolWeight> (735)
491.367451

>  <Item Name> (735)
Dibutyryl-cAMP (Bucladesine)

>  <Catalog Number> (735)
S7858

>  <Synonyms> (735)
dbcAMP

>  <Target> (735)
PKA

>  <Form> (735)
sodium salt

>  <URL> (735)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

>  <CAS Number> (735)
16980-89-5

$$$$
UM171.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (736)
736

>  <Formula> (736)
C25H27N9

>  <MolWeight> (736)
453.54218

>  <Item Name> (736)
UM171

>  <Catalog Number> (736)
S7608

>  <Synonyms> (736)
N/A

>  <Target> (736)
Others

>  <Form> (736)
Free Base

>  <URL> (736)
http://www.selleckchem.com/products/um171.html

>  <CAS Number> (736)
1448724-09-1

$$$$
Pyrilamine Maleate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (737)
737

>  <Formula> (737)
C21H27N3O5

>  <MolWeight> (737)
401.45618

>  <Item Name> (737)
Pyrilamine maleate

>  <Catalog Number> (737)
S4382 

>  <Synonyms> (737)
Mepyramine Maleate

>  <Target> (737)
Others

>  <Form> (737)
maleate

>  <URL> (737)
http://www.selleckchem.com/products/pyrila

>  <CAS Number> (737)
59-33-6

$$$$
RTA 408.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (738)
738

>  <Formula> (738)
C33H44F2N2O3

>  <MolWeight> (738)
554.7108664

>  <Item Name> (738)
Omaveloxolone (RTA-408)

>  <Catalog Number> (738)
S7672

>  <Synonyms> (738)
N/A

>  <Target> (738)
NF-¦ÊB

>  <Form> (738)
Free Base

>  <URL> (738)
http://www.selleckchem.com/products/omaveloxolone-rta-408.html

>  <CAS Number> (738)
1474034-05-3

$$$$
8-Bromo-cAMP.cdx
csChFnd80/10101813242D

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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (739)
739

>  <Formula> (739)
C10H10BrN5NaO6P

>  <MolWeight> (739)
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>  <Item Name> (739)
8-Bromo-cAMP

>  <Catalog Number> (739)
S7857

>  <Synonyms> (739)
N/A

>  <Target> (739)
PKA

>  <Form> (739)
sodium salt

>  <URL> (739)
http://www.selleckchem.com/products/8-bromo-camp.html

>  <CAS Number> (739)
76939-46-3

$$$$
Epacadostat (INCB024360).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (740)
740

>  <Formula> (740)
C11H13BrFN7O4S

>  <MolWeight> (740)
438.2328232

>  <Item Name> (740)
Epacadostat (INCB024360)

>  <Catalog Number> (740)
S7910

>  <Synonyms> (740)
N/A

>  <Target> (740)
IDO

>  <Form> (740)
Free Base

>  <URL> (740)
http://www.selleckchem.com/products/epacadostat-incb024360.html

>  <CAS Number> (740)
1204669-58-8

$$$$
BLU9931.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (741)
741

>  <Formula> (741)
C26H22Cl2N4O3

>  <MolWeight> (741)
509.38388

>  <Item Name> (741)
BLU9931

>  <Catalog Number> (741)
S7819

>  <Synonyms> (741)
N/A

>  <Target> (741)
FGFR

>  <Form> (741)
Free Base

>  <URL> (741)
http://www.selleckchem.com/products/blu9931.html

>  <CAS Number> (741)
1538604-68-0

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (742)
742

>  <Formula> (742)
C28H29Cl2N3OS

>  <MolWeight> (742)
526.52036

>  <Item Name> (742)
Smoothened Agonist (SAG) HCl

>  <Catalog Number> (742)
S7779

>  <Synonyms> (742)
N/A

>  <Target> (742)
Hedgehog/Smoothened

>  <Form> (742)
Hydrochloride

>  <URL> (742)
http://www.selleckchem.com/products/smoothened-agonist-sag-hcl.html

>  <CAS Number> (742)
912545-86-9

$$$$
TP-0903.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (748)
748

>  <Formula> (748)
C28H32O6

>  <MolWeight> (748)
464.55008

>  <Item Name> (748)
FLLL32

>  <Catalog Number> (748)
S7259

>  <Synonyms> (748)
N/A

>  <Target> (748)
JAK

>  <Form> (748)
Free Base

>  <URL> (748)
http://www.selleckchem.com/products/flll32.html

>  <CAS Number> (748)
1226895-15-3

$$$$
Bromodeoxyuridine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (749)
749

>  <Formula> (749)
C9H11BrN2O5

>  <MolWeight> (749)
307.09804

>  <Item Name> (749)
Bromodeoxyuridine (BrdU)

>  <Catalog Number> (749)
S7918

>  <Synonyms> (749)
N/A

>  <Target> (749)
DNA/RNA Synthesis

>  <Form> (749)
Free Base

>  <URL> (749)
http://www.selleckchem.com/products/bromodeoxyuridine-brdu.html

>  <CAS Number> (749)
59-14-3

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (750)
750

>  <Formula> (750)
C5H6Na2O5

>  <MolWeight> (750)
192.07768

>  <Item Name> (750)
Disodium (R)-2-Hydroxyglutarate

>  <Catalog Number> (750)
S7873

>  <Synonyms> (750)
N/A

>  <Target> (750)
Others

>  <Form> (750)
disodium salt

>  <URL> (750)
http://www.selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

>  <CAS Number> (750)
103404-90-6

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (751)
751

>  <Formula> (751)
C26H44NNaO6S

>  <MolWeight> (751)
521.68543

>  <Item Name> (751)
Sodium Tauroursodeoxycholate (TUDC)

>  <Catalog Number> (751)
S7896

>  <Synonyms> (751)
N/A

>  <Target> (751)
Antifection

>  <Form> (751)
sodium salt

>  <URL> (751)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

>  <CAS Number> (751)
35807-85-3

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (756)
756

>  <Formula> (756)
C25H32O13

>  <MolWeight> (756)
540.51378

>  <Item Name> (756)
Oleuropein

>  <Catalog Number> (756)
S7867

>  <Synonyms> (756)
N/A

>  <Target> (756)
ROS

>  <Form> (756)
Free Base

>  <URL> (756)
http://www.selleckchem.com/products/oleuropein.html

>  <CAS Number> (756)
32619-42-4

$$$$
MMAE.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (757)
757

>  <Formula> (757)
C39H67N5O7

>  <MolWeight> (757)
717.97858

>  <Item Name> (757)
Monomethyl auristatin E (MMAE)

>  <Catalog Number> (757)
S7721

>  <Synonyms> (757)
N/A

>  <Target> (757)
Microtubule Associated

>  <Form> (757)
Free Base

>  <URL> (757)
http://www.selleckchem.com/products/monomethyl-auristatin-e-mmae.html

>  <CAS Number> (757)
474645-27-7

$$$$
Dp44mT.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (758)
758

>  <Formula> (758)
C14H15N5S

>  <MolWeight> (758)
285.3674

>  <Item Name> (758)
Dp44mT

>  <Catalog Number> (758)
S7909

>  <Synonyms> (758)
N/A

>  <Target> (758)
Others

>  <Form> (758)
Free Base

>  <URL> (758)
http://www.selleckchem.com/products/dp44mt.html

>  <CAS Number> (758)
152095-12-0

$$$$
Vidofludimus .cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (759)
759

>  <Formula> (759)
C20H18FNO4

>  <MolWeight> (759)
355.3596232

>  <Item Name> (759)
Vidofludimus

>  <Catalog Number> (759)
S7262

>  <Synonyms> (759)
SC12267, 4SC-101

>  <Target> (759)
Dehydrogenase

>  <Form> (759)
Free Base

>  <URL> (759)
http://www.selleckchem.com/products/vidofludimus.html

>  <CAS Number> (759)
717824-30-1

$$$$
PF-03084014.cdx
csChFnd80/10101813242D

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760

>  <Formula> (760)
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>  <Item Name> (760)
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>  <Synonyms> (760)
N/A

>  <Target> (760)
Gamma-secretase

>  <Form> (760)
Free Base

>  <URL> (760)
http://www.selleckchem.com/products/pf-03084014-pf-3084014.html

>  <CAS Number> (760)
1290543-63-3

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/10101813242D

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761

>  <Formula> (761)
C25H29N3O3

>  <MolWeight> (761)
419.51606

>  <Item Name> (761)
BMS202 (PD-1/PD-L1 inhibitor 2)

>  <Catalog Number> (761)
S7912

>  <Synonyms> (761)
N/A

>  <Target> (761)
PD-1/PD-L1

>  <Form> (761)
Free Base

>  <URL> (761)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

>  <CAS Number> (761)
1675203-84-5

$$$$
Tiplaxtinin(PAI-039).cdx
csChFnd80/10101813242D

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762

>  <Formula> (762)
C24H16F3NO4

>  <MolWeight> (762)
439.3833496

>  <Item Name> (762)
Tiplaxtinin (PAI-039)

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S7922

>  <Synonyms> (762)
N/A

>  <Target> (762)
Others

>  <Form> (762)
Free Base

>  <URL> (762)
http://www.selleckchem.com/products/tiplaxtinin-pai-039.html

>  <CAS Number> (762)
393105-53-8

$$$$
GSK2801.cdx
csChFnd80/10101813242D

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763

>  <Formula> (763)
C20H21NO4S

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>  <Synonyms> (763)
N/A

>  <Target> (763)
Epigenetic Reader Domain

>  <Form> (763)
Free Base

>  <URL> (763)
http://www.selleckchem.com/products/gsk2801.html

>  <CAS Number> (763)
1619994-68-1

$$$$
SBI-0206965.cdx
csChFnd80/10101813242D

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188968-51-6

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939981-39-2

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O4I2.cdx
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165682-93-9

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ASP015K.cdx
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JAK

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944118-01-8

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
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1108743-60-7

$$$$
CH5126766 (RO5126766).cdx
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1203494-49-8

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M  END
>  <Mol_ID> (802)
802

>  <Formula> (802)
C26H21N3O3

>  <MolWeight> (802)
423.46324

>  <Item Name> (802)
Coelenterazine

>  <Catalog Number> (802)
S7777

>  <Synonyms> (802)
N/A

>  <Target> (802)
Others

>  <Form> (802)
Free Base

>  <URL> (802)
http://www.selleckchem.com/products/coelenterazine.html

>  <CAS Number> (802)
55779-48-1

$$$$
Vorapaxar (SCH 530348).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (803)
803

>  <Formula> (803)
C29H33FN2O4

>  <MolWeight> (803)
492.5817232

>  <Item Name> (803)
Vorapaxar (SCH 530348)

>  <Catalog Number> (803)
S8067

>  <Synonyms> (803)
SCH 530348, MK-5348

>  <Target> (803)
Protease-activated Receptor

>  <Form> (803)
Free Base

>  <URL> (803)
http://www.selleckchem.com/products/vorapaxar.html

>  <CAS Number> (803)
618385-01-6

$$$$
SKF38393.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (804)
804

>  <Formula> (804)
C16H18ClNO2

>  <MolWeight> (804)
291.77262

>  <Item Name> (804)
SKF38393 HCl

>  <Catalog Number> (804)
S7993

>  <Synonyms> (804)
N/A

>  <Target> (804)
Dopamine Receptor

>  <Form> (804)
Hydrochloride

>  <URL> (804)
http://www.selleckchem.com/products/skf38393-hcl.html

>  <CAS Number> (804)
62717-42-4

$$$$
ORY-1001.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (805)
805

>  <Formula> (805)
C15H24Cl2N2

>  <MolWeight> (805)
303.27046

>  <Item Name> (805)
ORY-1001 (RG-6016) 2HCl

>  <Catalog Number> (805)
S7795

>  <Synonyms> (805)
N/A

>  <Target> (805)
Histone Demethylase

>  <Form> (805)
Dihydrochloride

>  <URL> (805)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

>  <CAS Number> (805)
1431326-61-2

$$$$
CHS828 (GMX1777).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (806)
806

>  <Formula> (806)
C19H22ClN5O

>  <MolWeight> (806)
371.86388

>  <Item Name> (806)
GMX1778 (CHS828)

>  <Catalog Number> (806)
S8117

>  <Synonyms> (806)
N/A

>  <Target> (806)
NAMPT

>  <Form> (806)
Free Base

>  <URL> (806)
http://www.selleckchem.com/products/gmx1778-chs828.html

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ERK

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896720-20-0

$$$$
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S7971

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N/A

>  <Target> (819)
EGFR

>  <Form> (819)
Free Base

>  <URL> (819)
http://www.selleckchem.com/products/azd3759.html

>  <CAS Number> (819)
1626387-80-1

$$$$
Resiquimod.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (820)
820

>  <Formula> (820)
C17H22N4O2

>  <MolWeight> (820)
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Resiquimod

>  <Catalog Number> (820)
S8133

>  <Synonyms> (820)
R-848

>  <Target> (820)
TLR

>  <Form> (820)
Free Base

>  <URL> (820)
http://www.selleckchem.com/products/resiquimod.html

>  <CAS Number> (820)
144875-48-9

$$$$
Voxtalisib (XL765, SAR245409).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (821)
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>  <Item Name> (821)
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S7646

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N/A

>  <Target> (821)
PI3K

>  <Form> (821)
Free Base

>  <URL> (821)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

>  <CAS Number> (821)
934493-76-2

$$$$
Mitomycin C.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (822)
822

>  <Formula> (822)
C15H18N4O5

>  <MolWeight> (822)
334.32722

>  <Item Name> (822)
Mitomycin C

>  <Catalog Number> (822)
S8146

>  <Synonyms> (822)
N/A
N/A
N/A

>  <Target> (822)
DNA/RNA Synthesis

>  <Form> (822)
Free Base

>  <URL> (822)
http://www.selleckchem.com/products/mitomycin-c.html

>  <CAS Number> (822)
50-07-7

$$$$
PS-1145.cdx
csChFnd80/10101813242D

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823

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>  <Item Name> (823)
PS-1145

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N/A

>  <Target> (823)
I¦ÊB/IKK

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>  <URL> (823)
http://www.selleckchem.com/products/ps-1145.html

>  <CAS Number> (823)
431898-65-6

$$$$
NVP-TNKS656.cdx
csChFnd80/10101813242D

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Bcr-Abl

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926037-48-1

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/10101813242D

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>  <Item Name> (829)
Ripasudil (K-115)

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S7995

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N/A

>  <Target> (829)
ROCK

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Hydrochloride dihydrate

>  <URL> (829)
http://www.selleckchem.com/products/ripasudil-k-115.html

>  <CAS Number> (829)
887375-67-9

$$$$
PX-12.cdx
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Thioredoxin

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141400-58-0

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CDK

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853299-07-7

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1306760-87-1

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Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/sgc707.html

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1687736-54-4

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GNF-7

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N/A

>  <Target> (834)
Bcr-Abl

>  <Form> (834)
Free Base

>  <URL> (834)
http://www.selleckchem.com/products/gnf-7.html

>  <CAS Number> (834)
839706-07-9

$$$$
NSC59984.cdx
csChFnd80/10101813242D

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p53

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>  <URL> (835)
http://www.selleckchem.com/products/nsc59984.html

>  <CAS Number> (835)
803647-40-7

$$$$
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csChFnd80/10101813242D

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>  <Synonyms> (836)
N/A

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Microtubule Associated

>  <Form> (836)
Free Base

>  <URL> (836)
http://www.selleckchem.com/products/cucurbitacin-b.html

>  <CAS Number> (836)
6199-67-3

$$$$
Z-VAD(OH)-FMK (Caspase Inhibitor VI).cdx
csChFnd80/10101813242D

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328541-79-3

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HIF

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1154028-82-6

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Hydroxylase

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Free Base

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http://www.selleckchem.com/products/ro-61-8048.html

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199666-03-0

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ATM/ATR

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Free Base

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

>  <CAS Number> (842)
1198097-97-0

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>  <Target> (843)
Histone Demethylase

>  <Form> (843)
Dihydrochloride

>  <URL> (843)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

>  <CAS Number> (843)
1401966-69-5

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Adenosine Receptor

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>  <URL> (844)
http://www.selleckchem.com/products/sch58261.html

>  <CAS Number> (844)
160098-96-4

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>  <Mol_ID> (846)
846

>  <Formula> (846)
C19H14O4

>  <MolWeight> (846)
306.31206

>  <Item Name> (846)
STA-21

>  <Catalog Number> (846)
S7951

>  <Synonyms> (846)
N/A

>  <Target> (846)
STAT

>  <Form> (846)
Free Base

>  <URL> (846)
http://www.selleckchem.com/products/sta-21.html

>  <CAS Number> (846)
111540-00-2

$$$$

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>  <Mol_ID> (847)
847

>  <Formula> (847)
C38H42Cl2F4N6O9

>  <MolWeight> (847)
873.6744928

>  <Item Name> (847)
Sitafloxacin hydrate

>  <Catalog Number> (847)
S2152

>  <Synonyms> (847)
DU 6859A, DU 6859, DU-6859, LS-184401

>  <Target> (847)
Antifection

>  <Form> (847)
1.5 hydrate

>  <URL> (847)
http://www.selleckchem.com/products/Sitafloxacin(DU-6859A).html

>  <CAS Number> (847)
163253-35-8, 163253-37-0 (H2O), 127254-12-0 (free base), 3466

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (848)
848

>  <Formula> (848)
C19H27N3O6

>  <MolWeight> (848)
393.43418

>  <Item Name> (848)
Daprodustat (GSK1278863)

>  <Catalog Number> (848)
S8171

>  <Synonyms> (848)
N/A

>  <Target> (848)
HIF

>  <Form> (848)
Free Base

>  <URL> (848)
http://www.selleckchem.com/products/daprodustat.html

>  <CAS Number> (848)
960539-70-2

$$$$
MS023.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (849)
849

>  <Formula> (849)
C17H25N3O

>  <MolWeight> (849)
287.3999

>  <Item Name> (849)
MS023

>  <Catalog Number> (849)
S8112

>  <Synonyms> (849)
N/A

>  <Target> (849)
Histone Methyltransferase

>  <Form> (849)
Free Base

>  <URL> (849)
http://www.selleckchem.com/products/ms023.html

>  <CAS Number> (849)
1831110-54-3

$$$$
CC-223.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (850)
850

>  <Formula> (850)
C21H27N5O3

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>  <Item Name> (850)
CC-223

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S7886

>  <Synonyms> (850)
N/A

>  <Target> (850)
mTOR

>  <Form> (850)
Free Base

>  <URL> (850)
http://www.selleckchem.com/products/cc-223.html

>  <CAS Number> (850)
1228013-30-6

$$$$
Chaetocin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (851)
851

>  <Formula> (851)
C30H28N6O6S4

>  <MolWeight> (851)
696.83992

>  <Item Name> (851)
Chaetocin

>  <Catalog Number> (851)
S8068

>  <Synonyms> (851)
N/A

>  <Target> (851)
Histone Methyltransferase

>  <Form> (851)
Free Base

>  <URL> (851)
http://www.selleckchem.com/products/chaetocin.html

>  <CAS Number> (851)
28097-03-2

$$$$
Pimavanserin (ACP-103).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (852)
852

>  <Formula> (852)
C54H74F2N6O10

>  <MolWeight> (852)
1005.1963664

>  <Item Name> (852)
Pimavanserin

>  <Catalog Number> (852)
S8183

>  <Synonyms> (852)
ACP-103

>  <Target> (852)
5-HT Receptor

>  <Form> (852)
Tartrate

>  <URL> (852)
http://www.selleckchem.com/products/pimavanserin.html

>  <CAS Number> (852)
706782-28-7

$$$$
BEC Hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (853)
853

>  <Formula> (853)
C5H13BClNO4S

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BEC Hydrochloride

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S7929

>  <Synonyms> (853)
N/A

>  <Target> (853)
Others

>  <Form> (853)
hydrochloride salt

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

>  <CAS Number> (853)
222638-67-7

$$$$
AZD3965.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (854)
854

>  <Formula> (854)
C21H24F3N5O5S

>  <MolWeight> (854)
515.5059696

>  <Item Name> (854)
AZD3965

>  <Catalog Number> (854)
S7339

>  <Synonyms> (854)
N/A

>  <Target> (854)
Others

>  <Form> (854)
Free Base

>  <URL> (854)
http://www.selleckchem.com/products/azd3965.html

>  <CAS Number> (854)
1448671-31-5

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (855)
855

>  <Formula> (855)
C29H33NO5

>  <MolWeight> (855)
475.57602

>  <Item Name> (855)
PD-1/PD-L1 inhibitor 1

>  <Catalog Number> (855)
S7911

>  <Synonyms> (855)
N/A

>  <Target> (855)
PD-1/PD-L1

>  <Form> (855)
Free Base

>  <URL> (855)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

>  <CAS Number> (855)
1675201-83-8

$$$$
LJH685.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (856)
856

>  <Formula> (856)
C22H21F2N3O

>  <MolWeight> (856)
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>  <Item Name> (856)
LJH685

>  <Catalog Number> (856)
S7870

>  <Synonyms> (856)
N/A

>  <Target> (856)
S6 Kinase

>  <Form> (856)
Free Base

>  <URL> (856)
http://www.selleckchem.com/products/ljh685.html

>  <CAS Number> (856)
1627710-50-2

$$$$
GSK2141795.cdx
csChFnd80/10101813242D

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GSK795

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Akt

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Free Base

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http://www.selleckchem.com/products/gsk2141795.html

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1047634-65-0

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/10101813242D

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>  <Target> (858)
Wnt/beta-catenin

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Hydrochloride

>  <URL> (858)
http://www.selleckchem.com/products/wnt-agonist-1.html

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853220-52-7(free-base)

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CP-456773

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Free Base

>  <URL> (859)
http://www.selleckchem.com/products/mcc950-sodium-salt.html

>  <CAS Number> (859)
256373-96-3

$$$$
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CDK

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>  <URL> (860)
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1357470-29-1

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M  END
>  <Mol_ID> (870)
870

>  <Formula> (870)
C17H12Cl2F3N7O2S

>  <MolWeight> (870)
506.2890896

>  <Item Name> (870)
MLN2480

>  <Catalog Number> (870)
S7121

>  <Synonyms> (870)
BIIB-024

>  <Target> (870)
Raf

>  <Form> (870)
Free Base

>  <URL> (870)
http://www.selleckchem.com/products/mln2480.html

>  <CAS Number> (870)
1096708-71-2

$$$$
PF-CBP1.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (871)
871

>  <Formula> (871)
C29H37ClN4O3

>  <MolWeight> (871)
525.08208

>  <Item Name> (871)
PF-CBP1 HCL

>  <Catalog Number> (871)
S8180

>  <Synonyms> (871)
N/A

>  <Target> (871)
Epigenetic Reader Domain

>  <Form> (871)
Hydrochloride

>  <URL> (871)
http://www.selleckchem.com/products/pf-cbp1.html

$$$$
Acalabrutinib.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (872)
872

>  <Formula> (872)
C26H23N7O2

>  <MolWeight> (872)
465.50652

>  <Item Name> (872)
Acalabrutinib (ACP-196)

>  <Catalog Number> (872)
S8116

>  <Synonyms> (872)
N/A

>  <Target> (872)
BTK

>  <Form> (872)
Free Base

>  <URL> (872)
http://www.selleckchem.com/products/acalabrutinib.html

>  <CAS Number> (872)
1420477-60-6

$$$$
LTX-315.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (873)
873

>  <Formula> (873)
C78H106N18O9

>  <MolWeight> (873)
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>  <Item Name> (873)
LTX-315

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S8199

>  <Synonyms> (873)
Oncopore

>  <Target> (873)
Others

>  <Form> (873)
Free Base

>  <URL> (873)
http://www.selleckchem.com/products/ltx-315.html

>  <CAS Number> (873)
1345407-05-7

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (874)
874

>  <Formula> (874)
C22H28N4O2

>  <MolWeight> (874)
380.48332

>  <Item Name> (874)
GSK591 (EPZ015866,GSK3203591)

>  <Catalog Number> (874)
S8111

>  <Synonyms> (874)
EPZ015866, GSK3203591

>  <Target> (874)
Histone Methyltransferase

>  <Form> (874)
Free Base

>  <URL> (874)
http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

>  <CAS Number> (874)
1616391-87-7

$$$$
AG-120 (Ivosidenib).cdx
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M  END
>  <Mol_ID> (875)
875

>  <Formula> (875)
C28H22ClF3N6O3

>  <MolWeight> (875)
582.9608896

>  <Catalog Number> (875)
S8206

>  <Synonyms> (875)
N/A

>  <Target> (875)
Dehydrogenase

>  <Form> (875)
Free Base

>  <URL> (875)
http://www.selleckchem.com/products/ag-120-Ivosidenib.html

>  <CAS Number> (875)
1448347-49-6

$$$$
Bitopertin (RG1678; RO-4917838).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (876)
876

>  <Formula> (876)
C21H20F7N3O4S

>  <MolWeight> (876)
543.4550224

>  <Item Name> (876)
Bitopertin (RG1678,RO-4917838)

>  <Catalog Number> (876)
S8219

>  <Synonyms> (876)
RG1678, RO-4917838

>  <Target> (876)
GlyT

>  <Form> (876)
Free Base

>  <URL> (876)
http://www.selleckchem.com/products/bitopertin-rg1678-ro-4917838.html

>  <CAS Number> (876)
845614-11-1

$$$$
Halofuginone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (877)
877

>  <Formula> (877)
C16H17BrClN3O3

>  <MolWeight> (877)
414.68148

>  <Item Name> (877)
Halofuginone

>  <Catalog Number> (877)
S8144

>  <Synonyms> (877)
N/A

>  <Target> (877)
Others

>  <Form> (877)
Free Base

>  <URL> (877)
http://www.selleckchem.com/products/halofuginone.html

>  <CAS Number> (877)
55837-20-2

$$$$
AS1842856.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (878)
878

>  <Formula> (878)
C18H22FN3O3

>  <MolWeight> (878)
347.3839832

>  <Item Name> (878)
AS1842856

>  <Catalog Number> (878)
S8222

>  <Synonyms> (878)
N/A

>  <Target> (878)
Others

>  <Form> (878)
Free Base

>  <URL> (878)
http://www.selleckchem.com/products/as1842856.html

>  <CAS Number> (878)
836620-48-5

$$$$
HLCL-61.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (879)
879

>  <Formula> (879)
C23H25ClN2O

>  <MolWeight> (879)
380.9104

>  <Item Name> (879)
HLCL-61 hydrochloride

>  <Catalog Number> (879)
S8209

>  <Synonyms> (879)
HLCL61

>  <Target> (879)
Histone Methyltransferase

>  <Form> (879)
Hydrochloride

>  <URL> (879)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

>  <CAS Number> (879)
1158279-20-9

$$$$
I-BRD9 (GSK602).cdx
csChFnd80/10101813242D

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491833-29-5

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Free Base

>  <URL> (885)
http://www.selleckchem.com/products/ml264.html

>  <CAS Number> (885)
1550008-55-3

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21919-05-1

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M  END
>  <Mol_ID> (889)
889

>  <Formula> (889)
C31H30N6O6S4

>  <MolWeight> (889)
710.8665

>  <Item Name> (889)
Chetomin

>  <Catalog Number> (889)
S7939

>  <Synonyms> (889)
NSC289491|BRN0077366|Chaetomin

>  <Target> (889)
HIF

>  <Form> (889)
Free Base

>  <URL> (889)
http://www.selleckchem.com/products/chetomin.html

>  <CAS Number> (889)
1403-36-7

$$$$
Ponesimod (ACT-128800).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (890)
890

>  <Formula> (890)
C23H25ClN2O4S

>  <MolWeight> (890)
460.9736

>  <Item Name> (890)
Ponesimod (ACT-128800)

>  <Catalog Number> (890)
S8241

>  <Synonyms> (890)
ACT-128800

>  <Target> (890)
S1P Receptor

>  <Form> (890)
Free Base

>  <URL> (890)
http://www.selleckchem.com/products/ponesimod-act-128800.html

>  <CAS Number> (890)
854107-55-4

$$$$
SGI-7079.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (891)
891

>  <Formula> (891)
C26H26FN7

>  <MolWeight> (891)
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>  <Item Name> (891)
SGI-7079

>  <Catalog Number> (891)
S7847

>  <Synonyms> (891)
N/A

>  <Target> (891)
VEGFR

>  <Form> (891)
Free Base

>  <URL> (891)
http://www.selleckchem.com/products/sgi-7079.html

>  <CAS Number> (891)
1239875-86-5

$$$$
ETC-1002.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (892)
892

>  <Formula> (892)
C19H36O5

>  <MolWeight> (892)
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>  <Item Name> (892)
ETC-1002

>  <Catalog Number> (892)
S7953

>  <Synonyms> (892)
Bempedoic acid|ESP-55016

>  <Target> (892)
AMPK

>  <Form> (892)
Free Base

>  <URL> (892)
http://www.selleckchem.com/products/etc-1002.html

>  <CAS Number> (892)
738606-46-7

$$$$
GSK1016790A.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (893)
893

>  <Formula> (893)
C28H32Cl2N4O6S2

>  <MolWeight> (893)
655.61288

>  <Item Name> (893)
GSK1016790A

>  <Catalog Number> (893)
S8107

>  <Synonyms> (893)
GSK101

>  <Target> (893)
TRPV

>  <Form> (893)
Free Base

>  <CAS Number> (893)
942206-85-1

$$$$
YAP-TEAD Inhibitor 1 (Peptide 17).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (894)
894

>  <Formula> (894)
C93H144ClN23O21S2

>  <MolWeight> (894)
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>  <Item Name> (894)
YAP-TEAD Inhibitor 1 (Peptide 17)

>  <Catalog Number> (894)
S8164

>  <Synonyms> (894)
N/A

>  <Target> (894)
Others

>  <Form> (894)
Free Base

>  <URL> (894)
http://www.selleckchem.com/products/yap-tead-inhibitor-1-peptide-17.html

$$$$
Pluripotin (SC1).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (895)
895

>  <Formula> (895)
C27H25F3N8O2

>  <MolWeight> (895)
550.5350096

>  <Item Name> (895)
Pluripotin (SC1)

>  <Catalog Number> (895)
S7752

>  <Synonyms> (895)
N/A

>  <Target> (895)
ERK

>  <Form> (895)
Free Base

>  <URL> (895)
http://www.selleckchem.com/products/pluripotin-sc1.html

>  <CAS Number> (895)
839707-37-8

$$$$
AG-221 (Enasidenib).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (896)
896

>  <Formula> (896)
C19H17F6N7O

>  <MolWeight> (896)
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>  <Item Name> (896)
AG-221 (Enasidenib)

>  <Catalog Number> (896)
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>  <Synonyms> (896)
N/A

>  <Target> (896)
Dehydrogenase

>  <Form> (896)
Free Base

>  <URL> (896)
http://www.selleckchem.com/products/ag-221-enasidenib.html

>  <CAS Number> (896)
1446502-11-9

$$$$
SB366791.cdx
csChFnd80/10101813242D

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68392-35-8

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M  END
>  <Mol_ID> (901)
901

>  <Formula> (901)
C23H17ClN2

>  <MolWeight> (901)
356.84748

>  <Item Name> (901)
C-DIM12

>  <Catalog Number> (901)
S8097

>  <Synonyms> (901)
N/A

>  <Target> (901)
Immunology & Inflammation

>  <Form> (901)
Free Base

>  <URL> (901)
http://www.selleckchem.com/products/c-dim12.html

>  <CAS Number> (901)
178946-89-9

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (902)
902

>  <Formula> (902)
C42H88N14O36S3

>  <MolWeight> (902)
1461.41532

>  <Item Name> (902)
Dihydrostreptomycin sulfate

>  <Catalog Number> (902)
S4523

>  <Synonyms> (902)
N/A

>  <Target> (902)
Antifection

>  <Form> (902)
1.5Sulfate

>  <URL> (902)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

>  <CAS Number> (902)
5490-27-7

$$$$
SCR7.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (903)
903

>  <Formula> (903)
C18H12N4OS

>  <MolWeight> (903)
332.37908

>  <Item Name> (903)
SCR7

>  <Catalog Number> (903)
S7742

>  <Synonyms> (903)
N/A

>  <Target> (903)
DNA/RNA Synthesis

>  <Form> (903)
Free Base

>  <URL> (903)
http://www.selleckchem.com/products/scr7.html

>  <CAS Number> (903)
14892-97-8

$$$$
MRT68921.cdx
csChFnd80/10101813242D

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A   35
xHCl
M  END
>  <Mol_ID> (904)
904

>  <Formula> (904)
C26H36N6O2R

>  <MolWeight> (904)
464.60304

>  <Item Name> (904)
MRT67307 HCl

>  <Catalog Number> (904)
S7948

>  <Synonyms> (904)
N/A

>  <Target> (904)
I¦ÊB/IKK

>  <Form> (904)
hydrochloride

>  <URL> (904)
http://www.selleckchem.com/products/mrt67307.html

>  <CAS Number> (904)
1190378-57-4 (free-base)

$$$$
MRT67307.cdx
csChFnd80/10101813242D

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A   33
XHCl
M  END
>  <Mol_ID> (905)
905

>  <Formula> (905)
C25H34N6OR

>  <MolWeight> (905)
434.57706

>  <Item Name> (905)
MRT68921 HCl

>  <Catalog Number> (905)
S7949

>  <Synonyms> (905)
N/A

>  <Target> (905)
Autophagy

>  <Form> (905)
hydrochloride

>  <URL> (905)
http://www.selleckchem.com/products/mrt68921.html

>  <CAS Number> (905)
1190379-70-4 (free base)

$$$$
SBI-0640756.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (906)
906

>  <Formula> (906)
C23H14ClFN2O2

>  <MolWeight> (906)
404.8208632

>  <Item Name> (906)
SBI-0640756

>  <Catalog Number> (906)
S8181

>  <Synonyms> (906)
N/A

>  <Target> (906)
Others

>  <Form> (906)
Free Base

>  <URL> (906)
http://www.selleckchem.com/products/sbi-0640756.html

>  <CAS Number> (906)
N/A

$$$$
DEET.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (907)
907

>  <Formula> (907)
C12H17NO

>  <MolWeight> (907)
191.26948

>  <Item Name> (907)
DEET

>  <Catalog Number> (907)
S4521

>  <Synonyms> (907)
N,N-Diethyl-meta-toluamide, diethyltoluamide

>  <Target> (907)
Antifection

>  <Form> (907)
Free Base

>  <URL> (907)
http://www.selleckchem.com/products/deet.html

>  <CAS Number> (907)
134-62-3

$$$$
BI-78D3.cdx
csChFnd80/10101813242D

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ATPase

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370-86-5

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M  END
>  <Mol_ID> (912)
912

>  <Formula> (912)
C223H330N80O51

>  <MolWeight> (912)
4947.5117

>  <Item Name> (912)
APTSTAT3-9R

>  <Catalog Number> (912)
S8197

>  <Synonyms> (912)
N/A

>  <Target> (912)
STAT

>  <Form> (912)
Free Base

>  <URL> (912)
http://www.selleckchem.com/products/aptstat3-9r.html

>  <CAS Number> (912)
C223H330N80O51

$$$$
ReACp53.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (913)
913

>  <Formula> (913)
C108H206N52O24

>  <MolWeight> (913)
2617.12524

>  <Item Name> (913)
ReACp53

>  <Catalog Number> (913)
S8187

>  <Synonyms> (913)
N/A

>  <Target> (913)
p53

>  <Form> (913)
Free Base

>  <URL> (913)
http://www.selleckchem.com/products/reacp53.html

>  <CAS Number> (913)
N/A

$$$$
Eprodisate (disodium).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (914)
914

>  <Formula> (914)
C3H6Na2O6S2

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248.18568

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Eprodisate (disodium)

>  <Catalog Number> (914)
S4567

>  <Synonyms> (914)
NC-503

>  <Target> (914)
Others

>  <Form> (914)
disodium salt

>  <URL> (914)
http://www.selleckchem.com/products/eprodisate-disodium.html

>  <CAS Number> (914)
36589-58-9

$$$$
m-Tolyl acetate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (915)
915

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C9H10O2

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150.1745

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m-Tolyl acetate

>  <Catalog Number> (915)
S4573

>  <Synonyms> (915)
3-Methylphenylacetate, m-Cresyl acetate, Acetic acid m-tolyl ester

>  <Target> (915)
Others

>  <Form> (915)
Free Base

>  <URL> (915)
http://www.selleckchem.com/products/m-tolyl-acetate.html

>  <CAS Number> (915)
122-46-3

$$$$
IC261.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (916)
916

>  <Formula> (916)
C18H17NO4

>  <MolWeight> (916)
311.33188

>  <Item Name> (916)
IC261

>  <Catalog Number> (916)
S8237

>  <Synonyms> (916)
SU-5607

>  <Target> (916)
Casein Kinase

>  <Form> (916)
Free Base

>  <URL> (916)
http://www.selleckchem.com/products/ic261.html

>  <CAS Number> (916)
186611-52-9

$$$$
BI-7273.cdx
csChFnd80/10101813242D

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Androgen Receptor

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1628316-74-4

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   11.3987    5.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2572    3.0834    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
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  2  9  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 17 13  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20  5  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (921)
921

>  <Formula> (921)
C19H27N3O2

>  <MolWeight> (921)
329.43658

>  <Item Name> (921)
A-366

>  <Catalog Number> (921)
S7572

>  <Synonyms> (921)
N/A

>  <Target> (921)
Histone Methyltransferase

>  <Form> (921)
Free Base

>  <URL> (921)
http://www.selleckchem.com/products/a-366.html

>  <CAS Number> (921)
1527503-11-2

$$$$
S4549 Antimonyl (potassium tartrate trihydrate).cdx
csChFnd80/10101813242D

 27 26  0  0  0  0  0  0  0  0999 V2000
    9.4172    3.5797    0.0000 Sb  0  5  0  0  0  0  0  0  0  0  0  0
    8.0455    3.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786    3.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1152    2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1342    4.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9031    5.1797    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1201    1.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1459    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4359    2.0117    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4776    5.1797    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    9.3781    7.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2394    3.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2860    3.7721    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  0  0  0  0
  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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 10 14  1  0  0  0  0
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 15 20  1  0  0  0  0
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 16 22  2  0  0  0  0
 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (922)
922

>  <Formula> (922)
C8H10K2O15Sb2

>  <MolWeight> (922)
667.8726

>  <Item Name> (922)
Antimonyl (potassium tartrate trihydrate)

>  <Catalog Number> (922)
S4549

>  <Synonyms> (922)
Tartar emetic

>  <Target> (922)
Others

>  <Form> (922)
Free Base

>  <URL> (922)
http://www.selleckchem.com/products/antimonyl-potassium-tartrate-trihydrate.html

>  <CAS Number> (922)
28300-74-5

$$$$
S4520 2-Aminoheptane.cdx
csChFnd80/10101813242D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  3  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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (923)
923

>  <Formula> (923)
C7H17N

>  <MolWeight> (923)
115.21658

>  <Item Name> (923)
2-Aminoheptane

>  <Catalog Number> (923)
S4520

>  <Synonyms> (923)
Tuaminoheptanez, Tuamine, Heptamine, 1-Methylhexylamine, 2-Heptylamine

>  <Target> (923)
Others

>  <Form> (923)
Free Base

>  <URL> (923)
http://www.selleckchem.com/products/2-aminoheptane.html

>  <CAS Number> (923)
123-82-0

$$$$
Tyloxapol.cdx
csChFnd80/10101813242D

 65 62  0  0  0  0  0  0  0  0999 V2000
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    2.4249    5.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    3.3950    0.0000 O   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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  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 14  9  1  0  0  0  0
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A   61
m
A   62
m
A   63
m
A   64
n
A   65
m=6-8;n<=5
M  END
>  <Mol_ID> (924)
924

>  <Formula> (924)
C51H80O6R5

>  <MolWeight> (924)
789.1773

>  <Item Name> (924)
Tyloxapol

>  <Catalog Number> (924)
S4578

>  <Synonyms> (924)
Triton WR1339

>  <Target> (924)
Others

>  <Form> (924)
Free Base

>  <URL> (924)
http://www.selleckchem.com/products/tyloxapol.html

>  <CAS Number> (924)
25301-02-4

$$$$
Halothane.cdx
csChFnd80/10101813242D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2124    0.0000 F   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
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (925)
925

>  <Formula> (925)
C2HBrClF3

>  <MolWeight> (925)
197.3815496

>  <Item Name> (925)
Halothane

>  <Catalog Number> (925)
S4570

>  <Synonyms> (925)
Narcotane

>  <Target> (925)
Others

>  <Form> (925)
Free Base

>  <URL> (925)
http://www.selleckchem.com/products/halothane.html

>  <CAS Number> (925)
151-67-7

$$$$
Triacetin.cdx
csChFnd80/10101813242D

 15 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Triacetin

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S4581

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	Glycerol triacetate, Glyceryl triacetate, Glycerin triacetate, 1,2,3-Triacetoxypropane

>  <Target> (926)
Others

>  <Form> (926)
Free Base

>  <URL> (926)
http://www.selleckchem.com/products/triacetin.html

>  <CAS Number> (926)
102-76-1

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>  <Synonyms> (927)
N/A

>  <Target> (927)
PI3K

>  <Form> (927)
Free Base

>  <URL> (927)
http://www.selleckchem.com/products/gsk2292767.html

>  <CAS Number> (927)
1254036-66-2

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N/A

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c-Met

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1173699-31-4

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>  <Item Name> (929)
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Adenosine Receptor

>  <Form> (929)
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>  <URL> (929)
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>  <CAS Number> (929)
139180-30-6

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M  END
>  <Mol_ID> (930)
930

>  <Formula> (930)
C22H27ClN2O3

>  <MolWeight> (930)
402.91438

>  <Item Name> (930)
SKF96365

>  <Catalog Number> (930)
S7999

>  <Synonyms> (930)
N/A

>  <Target> (930)
Calcium Channel

>  <Form> (930)
Hydrochloride

>  <URL> (930)
http://www.selleckchem.com/products/skf96365.html

>  <CAS Number> (930)
130495-35-1

$$$$
S4600 Benzyl alcohol.cdx
csChFnd80/10101813242D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (931)
931

>  <Formula> (931)
C7H8O

>  <MolWeight> (931)
108.13782

>  <Item Name> (931)
Benzyl alcohol

>  <Catalog Number> (931)
S4600

>  <Synonyms> (931)
Phenylmethanol, Benzenemethanol, Phenylcarbinol, Benzoyl alcohol

>  <Target> (931)
Others

>  <Form> (931)
Free Base

>  <URL> (931)
http://www.selleckchem.com/products/benzyl-alcohol.html

>  <CAS Number> (931)
100-51-6

$$$$
S4599 Benzyl benzoate.cdx
csChFnd80/10101813242D

 16 17  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
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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (932)
932

>  <Formula> (932)
C14H12O2

>  <MolWeight> (932)
212.24388

>  <Item Name> (932)
Benzyl benzoate

>  <Catalog Number> (932)
S4599

>  <Synonyms> (932)
Ascabiol, Novoscabin, Scabitox, Benzoic acid benzyl ester

>  <Target> (932)
Others

>  <Form> (932)
Free Base

>  <URL> (932)
http://www.selleckchem.com/products/benzyl-benzoate.html

>  <CAS Number> (932)
120-51-4

$$$$
S4575 Pralidoxime (chloride).cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.4173    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (933)
933

>  <Formula> (933)
C7H9ClN2O

>  <MolWeight> (933)
172.61216

>  <Item Name> (933)
Pralidoxime (chloride)

>  <Catalog Number> (933)
S4575

>  <Synonyms> (933)
2-PAM (chloride)

>  <Target> (933)
AChR

>  <Form> (933)
Free Base

>  <URL> (933)
http://www.selleckchem.com/products/pralidoxime-chloride.html

>  <CAS Number> (933)
51-15-0

$$$$
Sisomicin sulfate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (934)
934

>  <Formula> (934)
C38H84N10O34S5

>  <MolWeight> (934)
1385.44516

>  <Item Name> (934)
Sisomicin sulfate

>  <Catalog Number> (934)
S4540

>  <Synonyms> (934)
N/A

>  <Target> (934)
Antifection

>  <Form> (934)
2.5Sulfate

>  <URL> (934)
http://www.selleckchem.com/products/sisomicin-sulfate.html

>  <CAS Number> (934)
53179-09-2

$$$$
NQDI-1.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (935)
935

>  <Formula> (935)
C19H13NO4

>  <MolWeight> (935)
319.31082

>  <Item Name> (935)
NQDI-1

>  <Catalog Number> (935)
S8289

>  <Synonyms> (935)
N/A

>  <Target> (935)
Caspase

>  <Form> (935)
Free Base

>  <URL> (935)
http://www.selleckchem.com/products/nqdi-1.html

>  <CAS Number> (935)
175026-96-7

$$$$
S4592 SBE-¦Â-CD.cdx
csChFnd80/10101813242D

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A   96
n
M  END
>  <Mol_ID> (936)
936

>  <Formula> (936)
C50H82Na2O41RS2

>  <MolWeight> (936)
1449.27102

>  <Item Name> (936)
Captisol (SBE-¦Â-CD)

>  <Catalog Number> (936)
S4592

>  <Synonyms> (936)
Sulfobutylether-¦Â-Cyclodextrin

>  <Target> (936)
Others

>  <Form> (936)
Free Base

>  <URL> (936)
http://www.selleckchem.com/products/sbe-b-cd.html

>  <CAS Number> (936)
182410-00-0

$$$$
Tubercidin.cdx
csChFnd80/10101813242D

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M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (937)
937

>  <Formula> (937)
C11H14N4O4

>  <MolWeight> (937)
266.25326

>  <Item Name> (937)
Tubercidin

>  <Catalog Number> (937)
S8095

>  <Synonyms> (937)
7-deaza-adenosine

>  <Target> (937)
DNA/RNA Synthesis

>  <Form> (937)
Free Base

>  <URL> (937)
http://www.selleckchem.com/products/tubercidin.html

>  <CAS Number> (937)
69-33-0

$$$$
L755507.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (938)
938

>  <Formula> (938)
C30H40N4O6S

>  <MolWeight> (938)
584.7268

>  <Item Name> (938)
L755507

>  <Catalog Number> (938)
S7974

>  <Synonyms> (938)
N/A

>  <Target> (938)
Adrenergic Receptor

>  <Form> (938)
Free Base

>  <URL> (938)
http://www.selleckchem.com/products/l755507.html

>  <CAS Number> (938)
159182-43-1

$$$$
S4582 Eflornithine  hydrochloride  hydrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (939)
939

>  <Formula> (939)
C6H15ClF2N2O3

>  <MolWeight> (939)
236.6447064

>  <Item Name> (939)
Eflornithine hydrochloride hydrate

>  <Catalog Number> (939)
S4582

>  <Synonyms> (939)
Difluoromethylornithine hydrochloride hydrate

>  <Target> (939)
Decarboxylase

>  <Form> (939)
hydrochloride hydrate

>  <URL> (939)
http://www.selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

>  <CAS Number> (939)
96020-91-6

$$$$
S4605 Folic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (940)
940

>  <Formula> (940)
C19H19N7O6

>  <MolWeight> (940)
441.39746

>  <Item Name> (940)
Folic acid

>  <Catalog Number> (940)
S4605

>  <Synonyms> (940)
Folacin, Vitamin B9, Vitamin M, Pteroylglutamic acid, Folate

>  <Target> (940)
Vitamin

>  <Form> (940)
Free Base

>  <URL> (940)
http://www.selleckchem.com/products/folic-acid.html

>  <CAS Number> (940)
59-30-3

$$$$
Kobe0065.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (941)
941

>  <Formula> (941)
C15H11ClF3N5O4S

>  <MolWeight> (941)
449.7921496

>  <Item Name> (941)
Kobe0065

>  <Catalog Number> (941)
S8303

>  <Synonyms> (941)
N/A

>  <Target> (941)
Rho

>  <Form> (941)
Free Base

>  <URL> (941)
http://www.selleckchem.com/products/kobe0065.html

>  <CAS Number> (941)
436133-68-5

$$$$
MK-886 (L-663,536).cdx
csChFnd80/10101813242D

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942

>  <Formula> (942)
C27H34ClNO2S

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>  <Item Name> (942)
MK-886 (L-663,536)

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S8236

>  <Synonyms> (942)
L-663536

>  <Target> (942)
Lipoxygenase

>  <Form> (942)
Free Base

>  <URL> (942)
http://www.selleckchem.com/products/mk-886-l-663-536.html

>  <CAS Number> (942)
118414-82-7

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (943)
943

>  <Formula> (943)
C26H26N6O2S

>  <MolWeight> (943)
486.58864

>  <Item Name> (943)
Olmutinib (HM61713, BI 1482694)

>  <Catalog Number> (943)
S8294

>  <Synonyms> (943)
BI 1482694, HM61713, HM71224

>  <Target> (943)
EGFR

>  <Form> (943)
Free Base

>  <URL> (943)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

>  <CAS Number> (943)
1353550-13-6

$$$$
FOMEPIZOLE (fomepizole).cdx
csChFnd80/10101813242D

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944

>  <Formula> (944)
C4H6N2

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82.10384

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Fomepizole (Antizol)

>  <Catalog Number> (944)
S1717

>  <Synonyms> (944)
4-methylpyrazole, Antizol, Antizol-Vet

>  <Target> (944)
5-alpha Reductase

>  <Form> (944)
Free Base

>  <URL> (944)
http://www.selleckchem.com/products/Fomepizole(Antizol).html

>  <CAS Number> (944)
7554-65-6

$$$$
S4606 Glutathione.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (945)
945

>  <Formula> (945)
C10H17N3O6S

>  <MolWeight> (945)
307.32348

>  <Item Name> (945)
Glutathione

>  <Catalog Number> (945)
S4606

>  <Synonyms> (945)
Isethion, Glutathion, Tathion

>  <Target> (945)
Others

>  <Form> (945)
Free Base

>  <URL> (945)
http://www.selleckchem.com/products/glutathione.html

>  <CAS Number> (945)
70-18-8

$$$$
IMR-1.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (946)
946

>  <Formula> (946)
C15H15NO5S2

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353.4133

>  <Item Name> (946)
IMR-1

>  <Catalog Number> (946)
S8280

>  <Synonyms> (946)
N/A

>  <Target> (946)
Gamma-secretase

>  <Form> (946)
Free Base

>  <URL> (946)
http://www.selleckchem.com/products/imr-1.html

>  <CAS Number> (946)
310456-65-6

$$$$
IQ-1.cdx
csChFnd80/10101813242D

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331001-62-8

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Adenosine Receptor

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24386-93-4

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312756-74-4

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M  END
>  <Mol_ID> (951)
951

>  <Formula> (951)
C17H19ClN4O

>  <MolWeight> (951)
330.81196

>  <Item Name> (951)
Alosetron Hydrochloride

>  <Catalog Number> (951)
S4694

>  <Synonyms> (951)
GR 68755C, GR 68755, GR 68755X, Lotronex, GR-68755, GR68755

>  <Target> (951)
5-HT Receptor

>  <Form> (951)
hydrochloride

>  <URL> (951)
http://www.selleckchem.com/products/alosetron-hydrochloride.html

>  <CAS Number> (951)
122852-69-1

$$$$
S4654 Netupitant.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (952)
952

>  <Formula> (952)
C30H32F6N4O

>  <MolWeight> (952)
578.5916992

>  <Item Name> (952)
Netupitant

>  <Catalog Number> (952)
S4654

>  <Synonyms> (952)
CID6451149, CID 6451149, CID-6451149

>  <Target> (952)
Substance P

>  <Form> (952)
Free Base

>  <URL> (952)
http://www.selleckchem.com/products/netupitant.html

>  <CAS Number> (952)
290297-26-6

$$$$
S4695 D panthenol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (953)
953

>  <Formula> (953)
C9H19NO4

>  <MolWeight> (953)
205.25146

>  <Item Name> (953)
D panthenol

>  <Catalog Number> (953)
S4695

>  <Synonyms> (953)
Dexpanthenol, D-Panthenol, Pantothenol, Ilopan, D-Pantothenyl alcohol

>  <Target> (953)
Vitamin

>  <Form> (953)
Free Base

>  <URL> (953)
http://www.selleckchem.com/products/d-panthenol.html

>  <CAS Number> (953)
81-13-0

$$$$
TRx0237 (LMTX).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (954)
954

>  <Formula> (954)
C18H27N3O6S3

>  <MolWeight> (954)
477.61848

>  <Item Name> (954)
TRx0237 (LMTX) mesylate

>  <Catalog Number> (954)
S7762

>  <Synonyms> (954)
N/A

>  <Target> (954)
Microtubule Associated

>  <Form> (954)
Dimesylate

>  <URL> (954)
http://www.selleckchem.com/products/trx0237-lmtx.html

>  <CAS Number> (954)
1236208-20-0

$$$$
S4690 Vitamin E.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (955)
955

>  <Formula> (955)
C29H50O2

>  <MolWeight> (955)
430.7061

>  <Item Name> (955)
Vitamin E

>  <Catalog Number> (955)
S4686

>  <Synonyms> (955)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (955)
COX,VEGFR

>  <Form> (955)
Free Base

>  <URL> (955)
http://www.selleckchem.com/products/vitamin-e.html

>  <CAS Number> (955)
59-02-9

$$$$
Z-IETD-FMK.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (956)
956

>  <Formula> (956)
C32H44F4N4O13

>  <MolWeight> (956)
768.7043728

>  <Item Name> (956)
Z-IETD-FMK

>  <Catalog Number> (956)
S7314

>  <Synonyms> (956)
Caspase-8 Inhibitor

>  <Target> (956)
Caspase

>  <Form> (956)
trifluoroacetat

>  <URL> (956)
http://www.selleckchem.com/products/z-ietd-fmk.html

>  <CAS Number> (956)
210344-98-2

$$$$
S4671 Cefradine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (957)
957

>  <Formula> (957)
C16H19N3O4S

>  <MolWeight> (957)
349.40476

>  <Item Name> (957)
Cefradine

>  <Catalog Number> (957)
S4671

>  <Synonyms> (957)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (957)
Antifection

>  <Form> (957)
Free Base

>  <URL> (957)
http://www.selleckchem.com/products/cefradine.html

>  <CAS Number> (957)
38821-53-3

$$$$
CCF642.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (958)
958

>  <Formula> (958)
C15H10N2O4S3

>  <MolWeight> (958)
378.4459

>  <Item Name> (958)
CCF642

>  <Catalog Number> (958)
S8281

>  <Synonyms> (958)
AC1LYELL

>  <Target> (958)
Thioredoxin

>  <Form> (958)
Free Base

>  <URL> (958)
http://www.selleckchem.com/products/ccf642.html

>  <CAS Number> (958)
346640-08-2

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/10101813242D

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 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  1  0  0  0  0
 32 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (959)
959

>  <Formula> (959)
C26H27F4N3O7

>  <MolWeight> (959)
569.5020928

>  <Item Name> (959)
Emricasan (IDN-6556, PF-03491390)

>  <Catalog Number> (959)
S7775

>  <Synonyms> (959)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (959)
Caspase

>  <Form> (959)
Free Base

>  <URL> (959)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

>  <CAS Number> (959)
254750-02-2

$$$$
Kanamycin sulfate.cdx
csChFnd80/10101813242D

 40 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.3451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    5.9451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    5.2451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    5.9451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.3451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    8.0451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    8.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.3427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    5.9427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    5.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.9427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    7.3427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    8.0427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6911    5.2427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    5.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    7.3427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6911    8.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    5.2427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3284    5.9427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3284    7.3427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1159    8.0427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    9.4403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    8.7427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    8.0403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    5.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    5.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    3.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457    2.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4408    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
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  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  8  1  0  0  0  0
 11 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
  6 22  1  1  0  0  0
  2 23  1  1  0  0  0
 16 24  1  1  0  0  0
 20 25  1  1  0  0  0
 18 26  1  1  0  0  0
  1 27  1  6  0  0  0
  5 28  1  6  0  0  0
  3 29  1  6  0  0  0
  9 30  1  6  0  0  0
 19 31  1  6  0  0  0
 21 32  1  6  0  0  0
 26 33  1  0  0  0  0
 29 34  1  0  0  0  0
 13 35  1  6  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 36 40  1  0  0  0  0
M  END
>  <Mol_ID> (960)
960

>  <Formula> (960)
C18H38N4O15S

>  <MolWeight> (960)
582.57712

>  <Item Name> (960)
Kanamycin sulfate

>  <Catalog Number> (960)
S2315

>  <Synonyms> (960)
Kanamycin monosulfate

>  <Target> (960)
Antifection

>  <Form> (960)
sulfate

>  <URL> (960)
http://www.selleckchem.com/products/Kanamycin-sulfate(Kantrex).html

>  <CAS Number> (960)
25389-94-0

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    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
    4.8497    1.4000    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
    6.0622    3.5000    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
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  1 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 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
M  END
>  <Mol_ID> (961)
961

>  <Formula> (961)
C15H10O4

>  <MolWeight> (961)
254.2375

>  <Item Name> (961)
7,8-Dihydroxyflavone

>  <Catalog Number> (961)
S8319

>  <Synonyms> (961)
7,8-DHF

>  <Target> (961)
Trk receptor

>  <Form> (961)
Free Base

>  <URL> (961)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

>  <CAS Number> (961)
38183-03-8

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/10101813242D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    6.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    7.1703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.3030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   10.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.6631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    5.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    5.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    8.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    8.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    7.1703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    5.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    5.9579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9695    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    8.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695    8.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3552    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5676    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7801    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7801    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5676    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3552    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9883    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6859    1.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2907    4.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1965    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 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
 19 16  1  6  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 19  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  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 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
M  END
>  <Mol_ID> (962)
962

>  <Formula> (962)
C26H28N4O4S

>  <MolWeight> (962)
492.58992

>  <Item Name> (962)
MK-4827(Niraparib) tosylate

>  <Catalog Number> (962)
S7625

>  <Synonyms> (962)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (962)
PARP

>  <Form> (962)
4-?methylbenzen

>  <URL> (962)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

>  <CAS Number> (962)
1038915-73-9

$$$$
Polymyxin B sulphate.cdx
csChFnd80/10101813242D

 90 90  0  0  0  0  0  0  0  0999 V2000
   24.8282   11.5455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.8182   12.5355    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   27.2182   12.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2081   11.5455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.6081   11.5455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   30.5981   10.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5981    9.1556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5880    8.1656    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   31.5880    6.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4282   11.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4383   10.5556    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.2843   13.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8943   12.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0718   14.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0718   15.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8594   16.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6470   15.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6470   14.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8594   13.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7521   13.8244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1420   12.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1420   14.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3502   14.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9338   14.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8870   11.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.8770    8.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9838    7.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2727    8.3841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7962    6.0681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5981    5.7757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.5981    4.3757    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   31.9504    4.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6081    3.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3127    2.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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http://www.selleckchem.com/products/ly3023414.html

>  <CAS Number> (966)
1386874-06-1

$$$$
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csChFnd80/10101813242D

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>  <Mol_ID> (967)
967

>  <Formula> (967)
C24H42O7P2

>  <MolWeight> (967)
504.533602

>  <Item Name> (967)
SR-12813

>  <Catalog Number> (967)
S8302

>  <Synonyms> (967)
N/A

>  <Target> (967)
HMG-CoA Reductase

>  <Form> (967)
Free Base

>  <URL> (967)
http://www.selleckchem.com/products/sr-12813.html

>  <CAS Number> (967)
126411-39-0

$$$$
Fatostatin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (968)
968

>  <Formula> (968)
C18H19BrN2S

>  <MolWeight> (968)
375.32586

>  <Item Name> (968)
Fatostatin

>  <Catalog Number> (968)
S8284

>  <Synonyms> (968)
Fatostatin A

>  <Target> (968)
Others

>  <Form> (968)
hydrobromide

>  <URL> (968)
http://www.selleckchem.com/products/fatostatin.html

>  <CAS Number> (968)
298197-04-3

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (969)
969

>  <Formula> (969)
C24H24FN7O

>  <MolWeight> (969)
445.4920632

>  <Item Name> (969)
Selonsertib (GS-4997)

>  <Catalog Number> (969)
S8292

>  <Synonyms> (969)
N/A

>  <Target> (969)
Caspase

>  <Form> (969)
Free Base

>  <URL> (969)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

>  <CAS Number> (969)
1448428-04-3

$$$$
S4706 Eugenol.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (970)
970

>  <Formula> (970)
C10H12O2

>  <MolWeight> (970)
164.20108

>  <Item Name> (970)
Eugenol

>  <Catalog Number> (970)
S4706

>  <Synonyms> (970)
4-Allyl-2-methoxyphenol, 4-Allylguaiacol, Eugenic acid, Allylguaiacol

>  <Target> (970)
Others

>  <Form> (970)
Free Base

>  <URL> (970)
http://www.selleckchem.com/products/eugenol.html

>  <CAS Number> (970)
97-53-0

$$$$
Rivastigmine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (971)
971

>  <Formula> (971)
C14H22N2O2

>  <MolWeight> (971)
250.33668

>  <Item Name> (971)
Rivastigmine

>  <Catalog Number> (971)
S4687

>  <Synonyms> (971)
Rivastigmine, SDZ-ENA 713, Exelon

>  <Target> (971)
AChR

>  <Form> (971)
Free Base

>  <URL> (971)
http://www.selleckchem.com/products/rivastigmine.html

>  <CAS Number> (971)
123441-03-2

$$$$
ÐÂ½¨ CS ChemDraw Drawing.cdx
csChFnd80/10101813242D

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Proteasome

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134381-21-8

$$$$
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Serine Protease

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9087-70-1

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482333-74-4

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p53

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5608-24-2

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cAMP

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17318-31-9

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>  <Mol_ID> (978)
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Ruboxistaurin

>  <Target> (978)
PKC

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hydrochloride

>  <URL> (978)
http://www.selleckchem.com/products/ly333531.html

>  <CAS Number> (978)
169939-93-9

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>  <Target> (979)
PAK

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Free Base

>  <URL> (979)
http://www.selleckchem.com/products/frax486.html

>  <CAS Number> (979)
1232030-35-1

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>  <Mol_ID> (980)
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>  <MolWeight> (980)
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>  <Item Name> (980)
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>  <Catalog Number> (980)
S8182

>  <Synonyms> (980)
N/A

>  <Target> (980)
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>  <Form> (980)
sodium salt

>  <URL> (980)
http://www.selleckchem.com/products/nsc87877.html

>  <CAS Number> (980)
56932-43-5

$$$$
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Bcl-2

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hydrochloride

>  <URL> (981)
http://www.selleckchem.com/products/a-1155463.html

>  <CAS Number> (981)
1235034-55-5

$$$$
Melphalan.cdx
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Alkeran, Sarcolysin, L-PAM

>  <Target> (982)
Others

>  <Form> (982)
Free Base

>  <URL> (982)
http://www.selleckchem.com/products/melphalan.html

>  <CAS Number> (982)
148-82-3

$$$$
SIS3.cdx
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>  <Mol_ID> (983)
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>  <Item Name> (983)
SIS3 HCl

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S7959

>  <Synonyms> (983)
N/A

>  <Target> (983)
TGF-beta/Smad

>  <Form> (983)
hydrochloride

>  <URL> (983)
http://www.selleckchem.com/products/sis3.html

>  <CAS Number> (983)
521984-48-5

$$$$
MK-4101.cdx
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>  <URL> (984)
http://www.selleckchem.com/products/mk-4101.html

>  <CAS Number> (984)
935273-79-3

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VO-Ohpic.cdx
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   10.5206    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 10  1  0  0  0  0
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M  END
>  <Mol_ID> (985)
985

>  <Formula> (985)
C12H15N2O11V

>  <MolWeight> (985)
414.1958

>  <Item Name> (985)
VO-Ohpic trihydrate

>  <Catalog Number> (985)
S8174

>  <Synonyms> (985)
N/A

>  <Target> (985)
Others

>  <Form> (985)
trihydrate

>  <URL> (985)
http://www.selleckchem.com/products/vo-ohpic.html

>  <CAS Number> (985)
476310-60-8

$$$$
S4704 D-(+)-Cellobiose.cdx
csChFnd80/10101813242D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.1192    2.7611    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    1.9088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1192    1.0677    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8709    1.0677    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3  4  1  1  0  0  0
  5  4  1  1  0  0  0
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  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  3 10  1  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  1  0  0  0
 16 15  1  1  0  0  0
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 12 17  1  0  0  0  0
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 14 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13  8  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  CFW   2 BOND_GSTEREO 5
M  CFW  13 BOND_GSTEREO 5
M  END
>  <Mol_ID> (986)
986

>  <Formula> (986)
C12H22O11

>  <MolWeight> (986)
342.29648

>  <Item Name> (986)
D-(+)-Cellobiose

>  <Catalog Number> (986)
S4704

>  <Synonyms> (986)
Cellobiose|Cellose|Beta-Cellobiose|D-Cellobiose

>  <Target> (986)
Others

>  <Form> (986)
Free Base

>  <URL> (986)
http://www.selleckchem.com/products/d-cellobiose.html

>  <CAS Number> (986)
528-50-7

$$$$
S4721 L-Glutamic acid monosodium salt.cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  1  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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  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
    7.2746    0.0000    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
    2.4249    0.0000    0.0000 O   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
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (987)
987

>  <Formula> (987)
C5H8NNaO4

>  <MolWeight> (987)
169.11109

>  <Item Name> (987)
L-Glutamic acid monosodium salt

>  <Catalog Number> (987)
S4721

>  <Synonyms> (987)
Monosodium glutamate|MSG

>  <Target> (987)
Others

>  <Form> (987)
sodium salt

>  <URL> (987)
http://www.selleckchem.com/products/l-glutamic-acid-monosodium-salt.html

>  <CAS Number> (987)
142-47-2

$$$$
S4712 Diethylmaleate.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    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
    8.4000    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
    9.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (988)
988

>  <Formula> (988)
C8H12O4

>  <MolWeight> (988)
172.17848

>  <Item Name> (988)
Diethylmaleate

>  <Catalog Number> (988)
S4712

>  <Target> (988)
Others

>  <Form> (988)
Free Base

>  <URL> (988)
http://www.selleckchem.com/products/diethylmaleate.html

>  <CAS Number> (988)
141-05-9

$$$$
BI-9564.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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    4.2000    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
    1.2124    6.3000    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    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  4  1  0  0  0  0
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  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 16 21  1  0  0  0  0
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M  END
>  <Mol_ID> (989)
989

>  <Formula> (989)
C20H23N3O3

>  <MolWeight> (989)
353.41492

>  <Item Name> (989)
BI-9564

>  <Catalog Number> (989)
S8113

>  <Synonyms> (989)
N/A

>  <Target> (989)
Epigenetic Reader Domain

>  <Form> (989)
Free Base

>  <URL> (989)
http://www.selleckchem.com/products/bi-9564.html

>  <CAS Number> (989)
1883429-22-8

$$$$
EAI045.cdx
csChFnd80/10101813242D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8531    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 11  1  0  0  0  0
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 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
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M  END
>  <Mol_ID> (990)
990

>  <Formula> (990)
C19H14FN3O3S

>  <MolWeight> (990)
383.3961632

>  <Item Name> (990)
EAI045

>  <Catalog Number> (990)
S8242

>  <Synonyms> (990)
N/A

>  <Target> (990)
EGFR

>  <Form> (990)
Free Base

>  <URL> (990)
http://www.selleckchem.com/products/eai045.html

>  <CAS Number> (990)
1942114-09-1

$$$$
ATI-2341.cdx
csChFnd80/10101813242D

158159  0  0  0  0  0  0  0  0999 V2000
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   58.2483   28.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8479   31.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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517-89-5

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996

>  <Formula> (996)
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Necrosulfonamide

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>  <Synonyms> (996)
N/A

>  <Target> (996)
Others

>  <Form> (996)
Free Base

>  <URL> (996)
http://www.selleckchem.com/products/necrosulfonamide.html

>  <CAS Number> (996)
1360614-48-7

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997

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BAY-61-3606

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S7006

>  <Synonyms> (997)
N/A

>  <Target> (997)
Syk

>  <Form> (997)
dihydrochloride

>  <URL> (997)
http://www.selleckchem.com/products/bay-61-3606.html

>  <CAS Number> (997)
648903-57-5

$$$$
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>  <Synonyms> (998)
N/A

>  <Target> (998)
DNA/RNA Synthesis

>  <Form> (998)
Free Base

>  <URL> (998)
http://www.selleckchem.com/products/rk-33.html

>  <CAS Number> (998)
1070773-09-9

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>  <Synonyms> (999)
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>  <Target> (999)
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Free Base

>  <URL> (999)
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>  <CAS Number> (999)
2012607-27-9

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150347-59-4

$$$$
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M  END
>  <Mol_ID> (1,007)
1007

>  <Formula> (1,007)
C23H28N8O

>  <MolWeight> (1,007)
432.52142

>  <Item Name> (1,007)
BMS-911543

>  <Catalog Number> (1,007)
S7144

>  <Synonyms> (1,007)
N/A

>  <Target> (1,007)
JAK

>  <Form> (1,007)
Free Base

>  <URL> (1,007)
http://www.selleckchem.com/products/bms-911543.html

>  <CAS Number> (1,007)
1271022-90-2

$$$$
LLY507.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,008)
1008

>  <Formula> (1,008)
C36H42N6O

>  <MolWeight> (1,008)
574.75828

>  <Item Name> (1,008)
LLY-507

>  <Catalog Number> (1,008)
S7575

>  <Synonyms> (1,008)
N/A

>  <Target> (1,008)
Histone Methyltransferase

>  <Form> (1,008)
Free Base

>  <URL> (1,008)
http://www.selleckchem.com/products/lly-507.html

>  <CAS Number> (1,008)
1793053-37-8

$$$$
Deguelin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,009)
1009

>  <Formula> (1,009)
C23H22O6

>  <MolWeight> (1,009)
394.41718

>  <Item Name> (1,009)
Deguelin

>  <Catalog Number> (1,009)
S8132

>  <Synonyms> (1,009)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (1,009)
Akt

>  <Form> (1,009)
Free Base

>  <URL> (1,009)
http://www.selleckchem.com/products/deguelin.html

>  <CAS Number> (1,009)
522-17-8

$$$$
S4700 4-Aminobutyric acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,010)
1010

>  <Formula> (1,010)
C4H9NO2

>  <MolWeight> (1,010)
103.11976

>  <Item Name> (1,010)
4-Aminobutyric acid

>  <Catalog Number> (1,010)
S4700

>  <Synonyms> (1,010)
4-Aminobutanoic acid, GABA, Gamma-aminobutyric acid, Piperidic acid

>  <Target> (1,010)
GABA Receptor

>  <Form> (1,010)
Free Base

>  <URL> (1,010)
http://www.selleckchem.com/products/4-aminobutyric-acid.html

>  <CAS Number> (1,010)
56-12-2

$$$$
S4702 Sarcosine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,011)
1011

>  <Formula> (1,011)
C3H7NO2

>  <MolWeight> (1,011)
89.09318

>  <Item Name> (1,011)
Sarcosine

>  <Catalog Number> (1,011)
S4702

>  <Synonyms> (1,011)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (1,011)
NMDAR

>  <Form> (1,011)
Free Base

>  <URL> (1,011)
http://www.selleckchem.com/products/sarcosine.html

>  <CAS Number> (1,011)
107-97-1

$$$$
S4703 Choline bitartrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,012)
1012

>  <Formula> (1,012)
C9H19NO7

>  <MolWeight> (1,012)
253.24966

>  <Item Name> (1,012)
Choline bitartrate

>  <Catalog Number> (1,012)
S4703

>  <Synonyms> (1,012)
2-hydroxyethyl(trimethyl)azanium;2,3,4-trihydroxy-4-oxobutanoate

>  <Target> (1,012)
Others

>  <Form> (1,012)
tartrate

>  <URL> (1,012)
http://www.selleckchem.com/products/choline-bitartrate.html

>  <CAS Number> (1,012)
87-67-2

$$$$
S4707 Oleic Acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,013)
1013

>  <Formula> (1,013)
C18H34O2

>  <MolWeight> (1,013)
282.46136

>  <Item Name> (1,013)
Oleic Acid

>  <Catalog Number> (1,013)
S4707

>  <Synonyms> (1,013)
Oleate, 9-Octadecenoic Acid, Elaidoic acid

>  <Target> (1,013)
Others

>  <Form> (1,013)
Free Base

>  <URL> (1,013)
http://www.selleckchem.com/products/oleic-acid.html

>  <CAS Number> (1,013)
112-80-1

$$$$
S4709 Latanoprost.cdx
csChFnd80/10101813242D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,014)
1014

>  <Formula> (1,014)
C26H40O5

>  <MolWeight> (1,014)
432.5928

>  <Item Name> (1,014)
Latanoprost

>  <Catalog Number> (1,014)
S4709

>  <Synonyms> (1,014)
Xalatan, PhXA41, PHXA-41

>  <Target> (1,014)
GPR

>  <Form> (1,014)
Free Base

>  <URL> (1,014)
http://www.selleckchem.com/products/latanoprost.html

>  <CAS Number> (1,014)
130209-82-4

$$$$
Voreloxin  SNS-595.cdx
csChFnd80/10101813242D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,015)
1015

>  <Formula> (1,015)
C18H20ClN5O4S

>  <MolWeight> (1,015)
437.9005

>  <Item Name> (1,015)
Voreloxin (SNS-595) hydrochloride

>  <Catalog Number> (1,015)
S7518

>  <Synonyms> (1,015)
N/A

>  <Target> (1,015)
Topoisomerase

>  <Form> (1,015)
hydrochloride

>  <URL> (1,015)
http://www.selleckchem.com/products/voreloxin-sns-595.html

>  <CAS Number> (1,015)
175519-16-1

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,016)
1016

>  <Formula> (1,016)
C22H15F3N4O2

>  <MolWeight> (1,016)
424.3753096

>  <Item Name> (1,016)
BAW2881 (NVP-BAW2881)

>  <Catalog Number> (1,016)
S8189

>  <Synonyms> (1,016)
N/A

>  <Target> (1,016)
VEGFR

>  <Form> (1,016)
Free Base

>  <URL> (1,016)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

>  <CAS Number> (1,016)
861875-60-7

$$$$
Leukadherin-1.cdx
csChFnd80/10101813242D

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CPI-637.cdx
csChFnd80/10101813242D

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1884712-47-3

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trifluoroacetat

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p38 MAPK

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Free Base

>  <URL> (1,020)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

>  <CAS Number> (1,020)
449811-01-2

$$$$
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helenin, helenine, Eupatal

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Free Base

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

>  <CAS Number> (1,021)
546-43-0

$$$$
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Dehydrogenase

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Wnt/beta-catenin

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106566-58-9

$$$$
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Histone Methyltransferase

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M  END
>  <Mol_ID> (1,033)
1033

>  <Formula> (1,033)
C29H31ClN8O5

>  <MolWeight> (1,033)
607.06004

>  <Item Name> (1,033)
GSK269962 HCl

>  <Catalog Number> (1,033)
S7687

>  <Synonyms> (1,033)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (1,033)
ROCK

>  <Form> (1,033)
hydrochloride

>  <URL> (1,033)
http://www.selleckchem.com/products/gsk269962.html

>  <CAS Number> (1,033)
850664-21-0(free base)

$$$$
NT157.cdx
csChFnd80/10101813242D

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 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,034)
1034

>  <Formula> (1,034)
C16H14BrNO5S

>  <MolWeight> (1,034)
412.25506

>  <Item Name> (1,034)
NT157

>  <Catalog Number> (1,034)
S8228

>  <Synonyms> (1,034)
N/A

>  <Target> (1,034)
IGF-1R

>  <Form> (1,034)
Free Base

>  <URL> (1,034)
http://www.selleckchem.com/products/nt157.html

>  <CAS Number> (1,034)
1384426-12-3

$$$$
PD-1PD-L1 Inhibitor 3.cdx
csChFnd80/10101813242D

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N/A

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Calcium Channel

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Free Base

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http://www.selleckchem.com/products/ym-58483-btp2.html

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223499-30-7

$$$$
BGP-15.cdx
csChFnd80/10101813242D

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C14H24Cl2N4O2

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BGP-15 2HCl

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S8370

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N/A

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PARP

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dihydrochloride

>  <URL> (1,039)
http://www.selleckchem.com/products/bgp-15.html

>  <CAS Number> (1,039)
66611-37-8

$$$$
HPI-4 (Ciliobrevin A).cdx
csChFnd80/10101813242D

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1040

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C17H9Cl2N3O2

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HPI-4 (Ciliobrevin A)

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Hedgehog Pathway Inhibitor 4

>  <Target> (1,040)
Hedgehog/Smoothened

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Free Base

>  <URL> (1,040)
http://www.selleckchem.com/products/hpi-4-ciliobrevin-a.html

>  <CAS Number> (1,040)
302803-72-1

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/10101813242D

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1041

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ARRY-380 (ONT-380)

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Tucatinib

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HER2

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Free Base

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http://www.selleckchem.com/products/arry-380-ont-380.html

>  <CAS Number> (1,041)
937263-43-9

$$$$
CPI-455.cdx
csChFnd80/10101813242D

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1042

>  <Formula> (1,042)
C16H15ClN4O

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>  <Item Name> (1,042)
CPI-455 HCl

>  <Catalog Number> (1,042)
S8287

>  <Synonyms> (1,042)
N/A

>  <Target> (1,042)
Histone Demethylase

>  <Form> (1,042)
hydrochloride

>  <URL> (1,042)
http://www.selleckchem.com/products/cpi-455.html

>  <CAS Number> (1,042)
1628208-23-0(free base)

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/10101813242D

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c-Met

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http://www.selleckchem.com/products/ly2801653-merestinib.html

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1206799-15-6

$$$$
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csChFnd80/10101813242D

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PI3K

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Free Base

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http://www.selleckchem.com/products/gdc-0084.html

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1382979-44-3

$$$$
MX69.cdx
csChFnd80/10101813242D

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Mdm2

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>  <URL> (1,045)
http://www.selleckchem.com/products/mx69.html

>  <CAS Number> (1,045)
1005264-47-0

$$$$
CA-074 methyl ester.cdx
csChFnd80/10101813242D

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CA-074 methyl ester (CA-074 Me)

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>  <Synonyms> (1,046)
Cathepsin B Inhibitor IV

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Cysteine Protease

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Free Base

>  <URL> (1,046)
http://www.selleckchem.com/products/ca-074-methyl-ester.html

>  <CAS Number> (1,046)
147859-80-1

$$$$
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N-(2-cyclohexyloxy-4-nitrophenyl)methane sulfonamide

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COX

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Free Base

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http://www.selleckchem.com/products/ns-398-ns398.html

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123653-11-2

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ML-7.cdx
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>  <Mol_ID> (1,048)
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>  <Formula> (1,048)
C15H18ClIN2O2S

>  <MolWeight> (1,048)
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>  <Item Name> (1,048)
ML-7 HCl

>  <Catalog Number> (1,048)
S8388

>  <Synonyms> (1,048)
N/A

>  <Target> (1,048)
Others

>  <Form> (1,048)
hydrochloride

>  <URL> (1,048)
http://www.selleckchem.com/products/ml-7.html

>  <CAS Number> (1,048)
110448-33-4

$$$$
UNC3866.cdx
csChFnd80/10101813242D

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>  <Formula> (1,049)
C43H66N6O8

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>  <Item Name> (1,049)
UNC3866

>  <Catalog Number> (1,049)
S8359

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Free Base

>  <Target> (1,049)
Histone Methyltransferase

>  <Form> (1,049)
Free Base

>  <URL> (1,049)
http://www.selleckchem.com/products/unc3866.html

>  <CAS Number> (1,049)
1872382-47-2

$$$$
Etomoxir (Na salt).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,050)
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>  <Formula> (1,050)
C15H18ClNaO4

>  <MolWeight> (1,050)
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Etomoxir (Na salt)

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N/A

>  <Target> (1,050)
Transferase

>  <Form> (1,050)
sodium salt

>  <URL> (1,050)
http://www.selleckchem.com/products/etomoxir-na-salt.html

>  <CAS Number> (1,050)
828934-41-4

$$$$
CC-115.cdx
csChFnd80/10101813242D

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>  <Formula> (1,059)
C16H18Cl2N4O

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Y-39983 HCl

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S7935

>  <Synonyms> (1,059)
Y-33075 HCl

>  <Target> (1,059)
ROCK

>  <Form> (1,059)
dihydrochloride

>  <URL> (1,059)
http://www.selleckchem.com/products/y-39983-hcl.html

>  <CAS Number> (1,059)
173897-44-4

$$$$
APR-246 (PRIMA-1MET).cdx
csChFnd80/10101813242D

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p53

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http://www.selleckchem.com/products/apr-246-prima-1met.html

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5291-32-7

$$$$
MS049.cdx
csChFnd80/10101813242D

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C15H26Cl2N2O

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MS049

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S8147

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N/A

>  <Target> (1,061)
Histone Methyltransferase

>  <Form> (1,061)
dihydrochloride

>  <URL> (1,061)
http://www.selleckchem.com/products/ms049.html

>  <CAS Number> (1,061)
1502816-23-0(free base)

$$$$
CeMMEC1.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,062)
1062

>  <Formula> (1,062)
C19H17ClN2O4

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>  <Item Name> (1,062)
CeMMEC1 HCl

>  <Catalog Number> (1,062)
S8328

>  <Synonyms> (1,062)
N/A

>  <Target> (1,062)
DNA/RNA Synthesis

>  <Form> (1,062)
hydrochloride

>  <URL> (1,062)
http://www.selleckchem.com/products/cemmec1.html

>  <CAS Number> (1,062)
440662-09-9(free base)

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,063)
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C21H20N2O3S

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ZINC00881524 (ROCK inhibitor)

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ROCK

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>  <URL> (1,063)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

>  <CAS Number> (1,063)
557782-81-7

$$$$
STO-609.cdx
csChFnd80/10101813242D

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>  <Item Name> (1,064)
STO-609

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CaMK

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Free Base

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http://www.selleckchem.com/products/sto-609.html

>  <CAS Number> (1,064)
52029-86-4

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AZD3293 (LY3314814).cdx
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M  END
>  <Mol_ID> (1,068)
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>  <Formula> (1,068)
C31H30Cl3N7O2

>  <MolWeight> (1,068)
638.9746

>  <Item Name> (1,068)
THZ1 2HCl

>  <Catalog Number> (1,068)
S7549

>  <Synonyms> (1,068)
N/A

>  <Target> (1,068)
CDK

>  <Form> (1,068)
dihydrochloride

>  <URL> (1,068)
http://www.selleckchem.com/products/thz1.html

>  <CAS Number> (1,068)
1604810-83-4(free base)

$$$$
UNC0638.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,069)
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>  <Formula> (1,069)
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>  <MolWeight> (1,069)
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>  <Item Name> (1,069)
UNC0638

>  <Catalog Number> (1,069)
S8071

>  <Synonyms> (1,069)
N/A

>  <Target> (1,069)
Histone Methyltransferase

>  <Form> (1,069)
Free Base

>  <URL> (1,069)
http://www.selleckchem.com/products/unc0638.html

>  <CAS Number> (1,069)
1255580-76-7

$$$$
GSK2269557.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,070)
1070

>  <Formula> (1,070)
C26H28N6O

>  <MolWeight> (1,070)
440.54012

>  <Item Name> (1,070)
GSK2269557

>  <Catalog Number> (1,070)
S7937

>  <Synonyms> (1,070)
Nemiralisib

>  <Target> (1,070)
PI3K

>  <Form> (1,070)
Free Base

>  <URL> (1,070)
http://www.selleckchem.com/products/gsk2269557.html

>  <CAS Number> (1,070)
1254036-71-9

$$$$
Salinomycin.cdx
csChFnd80/10101813242D

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Coxistac, Bio-cox

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53003-10-4

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Kinesin

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329689-23-8

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76822-21-4

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Histone Methyltransferase

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dihydrochloride

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TRPV

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M  END
>  <Mol_ID> (1,081)
1081

>  <Formula> (1,081)
C23H17FN6O2

>  <MolWeight> (1,081)
428.4184832

>  <Item Name> (1,081)
TAK-063

>  <Catalog Number> (1,081)
S8459

>  <Synonyms> (1,081)
Balipodect

>  <Target> (1,081)
PDE

>  <Form> (1,081)
Free Base

>  <URL> (1,081)
http://www.selleckchem.com/products/tak-063.html

>  <CAS Number> (1,081)
1238697-26-1

$$$$
1400W.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,082)
1082

>  <Formula> (1,082)
C10H17Cl2N3

>  <MolWeight> (1,082)
250.16808

>  <Item Name> (1,082)
1400W 2HCl

>  <Catalog Number> (1,082)
S8337

>  <Synonyms> (1,082)
N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (1,082)
Others

>  <Form> (1,082)
dihydrochloride

>  <URL> (1,082)
http://www.selleckchem.com/products/1400w.html

>  <CAS Number> (1,082)
214358-33-5

$$$$
ARQ 092.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,083)
1083

>  <Formula> (1,083)
C27H25ClN6

>  <MolWeight> (1,083)
468.9806

>  <Item Name> (1,083)
Miransertib (ARQ 092)HCl

>  <Catalog Number> (1,083)
S8339

>  <Synonyms> (1,083)
Miransertib

>  <Target> (1,083)
Akt

>  <Form> (1,083)
hydrochloride

>  <URL> (1,083)
http://www.selleckchem.com/products/arq-092.html

>  <CAS Number> (1,083)
1313883-00-9

$$$$
>  <Mol_ID> (1,084)
1084

>  <Item Name> (1,084)
Grape Seed Extract

>  <Catalog Number> (1,084)
S2305

>  <Synonyms> (1,084)
N/A

>  <Target> (1,084)
Others

>  <URL> (1,084)
http://www.selleckchem.com/products/Grape-Seed-Extract.html

>  <CAS Number> (1,084)
84929-27-1

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,085)
1085

>  <Formula> (1,085)
C21H25N7O

>  <MolWeight> (1,085)
391.4695

>  <Item Name> (1,085)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Catalog Number> (1,085)
S8456

>  <Synonyms> (1,085)
N/A

>  <Target> (1,085)
PI3K

>  <Form> (1,085)
Free Base

>  <URL> (1,085)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

>  <CAS Number> (1,085)
1383716-46-8

$$$$
KRIBB11.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,086)
1086

>  <Formula> (1,086)
C13H12N6O2

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$$$$
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M  END
>  <Mol_ID> (1,088)
1088

>  <Formula> (1,088)
C142H224N40O39S

>  <MolWeight> (1,088)
3147.60756

>  <Item Name> (1,088)
PACAP 1-27

>  <Catalog Number> (1,088)
S8414

>  <Synonyms> (1,088)
N/A

>  <Target> (1,088)
cAMP

>  <Form> (1,088)
Free Base

>  <URL> (1,088)
http://www.selleckchem.com/products/pacap-1-27.html

>  <CAS Number> (1,088)
127317-03-7

$$$$
OTS514.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,089)
1089

>  <Formula> (1,089)
C21H21ClN2O2S

>  <MolWeight> (1,089)
400.92164

>  <Item Name> (1,089)
OTS514 hydrochloride

>  <Catalog Number> (1,089)
S7652

>  <Synonyms> (1,089)
N/A

>  <Target> (1,089)
TOPK

>  <Form> (1,089)
hydrochloride

>  <URL> (1,089)
http://www.selleckchem.com/products/ots514.html

>  <CAS Number> (1,089)
1338540-63-8(free base)

$$$$
SAR-020106.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,090)
1090

>  <Formula> (1,090)
C19H19ClN6O

>  <MolWeight> (1,090)
382.84676

>  <Item Name> (1,090)
SAR-020106

>  <Catalog Number> (1,090)
S7740

>  <Synonyms> (1,090)
N/A

>  <Target> (1,090)
Chk

>  <Form> (1,090)
Free Base

>  <URL> (1,090)
http://www.selleckchem.com/products/sar-020106.html

>  <CAS Number> (1,090)
1184843-57-9

$$$$
Importazole.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,091)
1091

>  <Formula> (1,091)
C20H22N4

>  <MolWeight> (1,091)
318.41548

>  <Item Name> (1,091)
Importazole

>  <Catalog Number> (1,091)
S8446

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
Others

>  <Form> (1,091)
Free Base

>  <URL> (1,091)
http://www.selleckchem.com/products/importazole.html

>  <CAS Number> (1,091)
662163-81-7

$$$$
MI-463.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,092)
1092

>  <Formula> (1,092)
C24H23F3N6S

>  <MolWeight> (1,092)
484.5398296

>  <Item Name> (1,092)
MI-463

>  <Catalog Number> (1,092)
S7816

>  <Synonyms> (1,092)
N/A

>  <Target> (1,092)
Histone Methyltransferase

>  <Form> (1,092)
Free Base

>  <URL> (1,092)
http://www.selleckchem.com/products/mi-463.html

>  <CAS Number> (1,092)
1628317-18-9

$$$$
RRx-001.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,093)
1093

>  <Formula> (1,093)
C5H6BrN3O5

>  <MolWeight> (1,093)
268.02224

>  <Item Name> (1,093)
RRx-001

>  <Catalog Number> (1,093)
S8405

>  <Synonyms> (1,093)
N/A

>  <Target> (1,093)
Dehydrogenase

>  <Form> (1,093)
Free Base

>  <URL> (1,093)
http://www.selleckchem.com/products/rrx-001.html

>  <CAS Number> (1,093)
925206-65-1

$$$$
PNU-74654.cdx
csChFnd80/10101813242D

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Histone Methyltransferase

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1448232-80-1

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http://www.selleckchem.com/products/lxr-623-way-252623.html

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$$$$
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M  END
>  <Mol_ID> (1,109)
1109

>  <Formula> (1,109)
C182H300N56O45S

>  <MolWeight> (1,109)
4024.7426

>  <Item Name> (1,109)
PACAP 6-38

>  <Catalog Number> (1,109)
S8416

>  <Synonyms> (1,109)
N/A

>  <Target> (1,109)
cAMP

>  <Form> (1,109)
Free Base

>  <URL> (1,109)
http://www.selleckchem.com/products/pacap-6-38.html

>  <CAS Number> (1,109)
143748-18-9

$$$$
PACAP 1-38.cdx
csChFnd80/10101813242D

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$$$$
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hydrochloride

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1439901-97-9

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B02.cdx
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1290541-46-6

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csChFnd80/10101813242D

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dihydrochloride

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http://www.selleckchem.com/products/ots964.html

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1338545-07-5(HCl salt)

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hydrochloride

>  <URL> (1,129)
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899805-25-5 (free base)

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csChFnd80/10101813242D

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http://www.selleckchem.com/products/srt3025.html

>  <CAS Number> (1,139)
2070015-26-6

$$$$
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>  <URL> (1,140)
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>  <CAS Number> (1,140)
2083627-02-3

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PRT318

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Syk

>  <Form> (1,141)
hydrochloride salt

>  <URL> (1,141)
http://www.selleckchem.com/products/prt-060318-prt318-3hcl.html

>  <CAS Number> (1,141)
1194961-19-7 (free base)

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Histone Methyltransferase

>  <Form> (1,142)
trihydrochloride

>  <URL> (1,142)
http://www.selleckchem.com/products/bix-01294.html

>  <CAS Number> (1,142)
1392399-03-9

$$$$
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trifluoroacetate

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1043444-18-3

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2-Naphthalenecarboxylic acid

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http://www.selleckchem.com/products/azd5153.html

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1869912-40-2

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D-Ala-peptide T-amide, peptide T

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106362-34-9

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VLX1570.cdx
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M  END
>  <Mol_ID> (1,153)
1153

>  <Formula> (1,153)
C66H99N23O17S2

>  <MolWeight> (1,153)
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>  <Item Name> (1,153)
Compstatin

>  <Catalog Number> (1,153)
S8522

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
complement component C3

>  <Form> (1,153)
free base

>  <URL> (1,153)
http://www.selleckchem.com/products/compstatin.html

>  <CAS Number> (1,153)
206645-99-0

$$$$
TAS-102.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,154)
1154

>  <Formula> (1,154)
C29H34Cl2F6N8O12

>  <MolWeight> (1,154)
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>  <Item Name> (1,154)
TAS-102

>  <Catalog Number> (1,154)
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>  <Synonyms> (1,154)
N/A

>  <Target> (1,154)
others

>  <Form> (1,154)
hydrochloride

>  <URL> (1,154)
http://www.selleckchem.com/products/tas-102.html

>  <CAS Number> (1,154)
733030-01-8

$$$$
ARS-853.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,165)
1165

>  <Formula> (1,165)
C142H226N40O48

>  <MolWeight> (1,165)
3261.55304

>  <Item Name> (1,165)
AUNP-12

>  <Catalog Number> (1,165)
S8549

>  <Synonyms> (1,165)
Aur-012, Aurigene-012, Aurigene NP-12

>  <Target> (1,165)
PD-1

>  <URL> (1,165)
http://www.selleckchem.com/products/aunp-12.html

>  <CAS Number> (1,165)
1353563-85-5

$$$$
Lixisenatide.cdx
csChFnd80/10101813242D

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GLP-1R

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free base

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1437321-24-8

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>  <Catalog Number> (1,173)
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>  <Synonyms> (1,173)
N/A

>  <Target> (1,173)
CDK8

>  <Form> (1,173)
free base

>  <URL> (1,173)
http://www.selleckchem.com/products/msc2530818.html

>  <CAS Number> (1,173)
1883423-59-3

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,174)
1174

>  <Formula> (1,174)
C33H29F2N5O4S

>  <MolWeight> (1,174)
629.6762664

>  <Item Name> (1,174)
Sitravatinib (MGCD516)

>  <Catalog Number> (1,174)
S8573

>  <Synonyms> (1,174)
MG-516

>  <Target> (1,174)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (1,174)
free base

>  <URL> (1,174)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

>  <CAS Number> (1,174)
1123837-84-2

$$$$
Tirofiban Hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,175)
1175

>  <Formula> (1,175)
C22H39ClN2O6S

>  <MolWeight> (1,175)
495.07286

>  <Item Name> (1,175)
Tirofiban Hydrochloride

>  <Catalog Number> (1,175)
S8594

>  <Synonyms> (1,175)
MK-383 Hydrochloride

>  <Target> (1,175)
GPIIb/IIIa

>  <Form> (1,175)
hydrochloride hydrate

>  <URL> (1,175)
http://www.selleckchem.com/products/tirofiban-hydrochlorid.html

>  <CAS Number> (1,175)
150915-40-5

$$$$
3BDO.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,176)
1176

>  <Formula> (1,176)
C18H17NO5

>  <MolWeight> (1,176)
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>  <Item Name> (1,176)
3BDO

>  <Catalog Number> (1,176)
S8317

>  <Synonyms> (1,176)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (1,176)
FKBP1A

>  <Form> (1,176)
free base

>  <URL> (1,176)
http://www.selleckchem.com/products/3bdo.html

>  <CAS Number> (1,176)
890405-51-3

$$$$
A-317491.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,193)
1193

>  <Formula> (1,193)
C19H17N3O2S2

>  <MolWeight> (1,193)
383.48718

>  <Item Name> (1,193)
GSK'872 (GSK2399872A)

>  <Catalog Number> (1,193)
S8465

>  <Synonyms> (1,193)
N/A

>  <Target> (1,193)
RIP3K

>  <Form> (1,193)
Free base

>  <URL> (1,193)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

>  <CAS Number> (1,193)
1346546-69-7

$$$$
KRpep-2d.cdx
csChFnd80/10101813242D

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PI3K¦Á 

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$$$$
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free base

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28166-41-8

$$$$
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csChFnd80/10101813242D

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2156-56-1

$$$$
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>  <Mol_ID> (1,198)
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>  <Item Name> (1,198)
Belizatinib (TSR-011)

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S8511

>  <Synonyms> (1,198)
N/A

>  <Target> (1,198)
ALK,TRK

>  <Form> (1,198)
free base

>  <URL> (1,198)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

>  <CAS Number> (1,198)
1357920-84-3

$$$$
HJC0152.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,199)
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>  <Formula> (1,199)
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>  <Item Name> (1,199)
HJC0152

>  <Catalog Number> (1,199)
S8561

>  <Synonyms> (1,199)
N/A

>  <Target> (1,199)
STAT3

>  <Form> (1,199)
hydrochloride

>  <URL> (1,199)
http://www.selleckchem.com/products/hjc0152.html

>  <CAS Number> (1,199)
1420290-99-8

$$$$
Autophinib.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,200)
1200

>  <Formula> (1,200)
C14H11ClN6O3

>  <MolWeight> (1,200)
346.72854

>  <Item Name> (1,200)
Autophinib

>  <Catalog Number> (1,200)
S8596

>  <Synonyms> (1,200)
N/A

>  <Target> (1,200)
autophagy

>  <Form> (1,200)
free base

>  <URL> (1,200)
http://www.selleckchem.com/products/autophinib.html

>  <CAS Number> (1,200)
1644443-47-9

$$$$
FIN56.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,201)
1201

>  <Formula> (1,201)
C25H31N3O5S2

>  <MolWeight> (1,201)
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>  <Item Name> (1,201)
FIN56

>  <Catalog Number> (1,201)
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>  <Synonyms> (1,201)
N/A

>  <Target> (1,201)
squalene synthase,ferroptosis

>  <Form> (1,201)
free base

>  <URL> (1,201)
http://www.selleckchem.com/products/fin56.html

>  <CAS Number> (1,201)
1083162-61-1

$$$$
BGB-283.cdx
csChFnd80/10101813242D

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Met,ALK 

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$$$$
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UPR

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$$$$
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SGLT2 

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761423-87-4

$$$$
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1703793-34-3

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3-TYP.cdx
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free base

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http://www.selleckchem.com/products/3-typ.html

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120241-79-4

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R-IMPP.cdx
csChFnd80/10101813242D

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1859141-26-6

$$$$
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M  END
>  <Mol_ID> (1,219)
1219

>  <Formula> (1,219)
C22H27N7O2S

>  <MolWeight> (1,219)
453.56048

>  <Item Name> (1,219)
LY3214996

>  <Catalog Number> (1,219)
S8534

>  <Synonyms> (1,219)
N/A

>  <Target> (1,219)
ERK1,ERK2

>  <Form> (1,219)
free base

>  <URL> (1,219)
http://www.selleckchem.com/products/ly3214996.html

>  <CAS Number> (1,219)
1951483-29-6

$$$$
CP2.cdx
csChFnd80/10101813242D

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128127  1  0  0  0  0
127132  1  0  0  0  0
127133  1  6  0  0  0
M  END
>  <Mol_ID> (1,220)
1220

>  <Formula> (1,220)
C92H120N24O26S

>  <MolWeight> (1,220)
2010.1474

>  <Item Name> (1,220)
CP2

>  <Catalog Number> (1,220)
S8601

>  <Synonyms> (1,220)
N/A

>  <Target> (1,220)
KDM4C,KDM4A

>  <Form> (1,220)
free base

>  <URL> (1,220)
http://www.selleckchem.com/products/cp2.html

>  <CAS Number> (1,220)
No

$$$$
S3619 Citicoline sodium.cdx
csChFnd80/10101813242D

 32 32  0  0  0  0  0  0  0  0999 V2000
   11.4612    5.3353    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4663    6.7353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3399    4.5435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    4.5186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2702    7.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6935    7.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7487    3.2064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1484    3.1897    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9332    4.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2665    8.8465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0550    6.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6898    8.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9138    2.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9573    2.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4588    9.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5212    2.2439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4463   10.9546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    1.1239    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.5596    1.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8544    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8073    0.2933    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2782    1.4087    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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    5.8314    0.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933    0.8528    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3328    2.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7747    4.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2306    2.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    5.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0548    0.3387    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
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  7 13  1  1  0  0  0
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 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,221)
1221

>  <Formula> (1,221)
C14H25N4NaO11P2

>  <MolWeight> (1,221)
510.305792

>  <Item Name> (1,221)
Citicoline sodium

>  <Catalog Number> (1,221)
S3619

>  <Synonyms> (1,221)
CDP-choline

>  <Target> (1,221)
Others

>  <Form> (1,221)
sodium salt

>  <URL> (1,221)
http://www.selleckchem.com/products/citicoline-sodium.html

>  <CAS Number> (1,221)
33818-15-4

$$$$
S3703 Phenethyl alcohol.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   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
    6.3000    2.4249    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
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,222)
1222

>  <Formula> (1,222)
C8H10O

>  <MolWeight> (1,222)
122.1644

>  <Item Name> (1,222)
Phenethyl alcohol

>  <Catalog Number> (1,222)
S3703

>  <Synonyms> (1,222)
2-phenylethanol, 2-Phenylethyl alcohol, Benzeneethanol, Phenylethanol

>  <Target> (1,222)
Others

>  <Form> (1,222)
free base

>  <URL> (1,222)
http://www.selleckchem.com/products/phenethyl-alcohol.html

>  <CAS Number> (1,222)
60-12-8

$$$$
CPI-444.cdx
csChFnd80/10101813242D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.8723    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8723    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    3.7271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2972    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2972    5.8271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408    6.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179    5.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408    3.9944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5096    3.7271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2174    8.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7848   10.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3848   10.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4326    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 11 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,223)
1223

>  <Formula> (1,223)
C16H12FN5O

>  <MolWeight> (1,223)
309.2977832

>  <Item Name> (1,223)
A2AR antagonist 1

>  <Catalog Number> (1,223)
S8575

>  <Synonyms> (1,223)
N/A

>  <Target> (1,223)
A2AR,A1R

>  <Form> (1,223)
free base

>  <URL> (1,223)
http://www.selleckchem.com/products/a2ar-antagonist-1.html

>  <CAS Number> (1,223)
443103-97-7

$$$$
S3631 (S)-Methylisothiourea sulfate.cdx
csChFnd80/10101813242D

  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> (1,224)
1224

>  <Formula> (1,224)
C2H6N2RS

>  <MolWeight> (1,224)
90.14744

>  <Item Name> (1,224)
(S)-Methylisothiourea sulfate

>  <Catalog Number> (1,224)
S3631

>  <Synonyms> (1,224)
N/A

>  <Target> (1,224)
iNOS

>  <Form> (1,224)
sulfate

>  <URL> (1,224)
http://www.selleckchem.com/products/s-methylisothiourea-sulfate.html

>  <CAS Number> (1,224)
867-44-7

$$$$
ACSS2 inhibitor.cdx
csChFnd80/10101813242D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    5.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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C20H18N4O2S2

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>  <Item Name> (1,225)
ACSS2 inhibitor

>  <Catalog Number> (1,225)
S8588

>  <Synonyms> (1,225)
N/A

>  <Target> (1,225)
ACSS2

>  <Form> (1,225)
free base

>  <URL> (1,225)
http://www.selleckchem.com/products/acss2-inhibitor.html

>  <CAS Number> (1,225)
508186-14-9

$$$$
S3620 ¦Â-Glycerophosphate (sodium salt hydrate).cdx
csChFnd80/10101813242D

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>  <Formula> (1,226)
C3H17Na2O11P

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¦Â-Glycerophosphate sodium salt hydrate

>  <Catalog Number> (1,226)
S3620

>  <Synonyms> (1,226)
N/A

>  <Target> (1,226)
phosphotase

>  <Form> (1,226)
sodium salt hydrate

>  <URL> (1,226)
http://www.selleckchem.com/products/beta-glycerophosphate-sodium-salt-hydrate.html

>  <CAS Number> (1,226)
13408-09-8

$$$$
PF-06409577.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,227)
1227

>  <Formula> (1,227)
C19H16ClNO3

>  <MolWeight> (1,227)
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>  <Item Name> (1,227)
PF-06409577

>  <Catalog Number> (1,227)
S8335

>  <Synonyms> (1,227)
N/A

>  <Target> (1,227)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (1,227)
free base

>  <URL> (1,227)
http://www.selleckchem.com/products/pf-06409577.html

>  <CAS Number> (1,227)
1467057-23-3

$$$$
CCG-203971.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,228)
1228

>  <Formula> (1,228)
C23H21ClN2O3

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CCG-203971

>  <Catalog Number> (1,228)
S8469

>  <Synonyms> (1,228)
N/A

>  <Target> (1,228)
SRE.L

>  <Form> (1,228)
free base

>  <URL> (1,228)
http://www.selleckchem.com/products/ccg-203971.html

>  <CAS Number> (1,228)
1443437-74-8

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,229)
1229

>  <Formula> (1,229)
C14H21NO3S

>  <MolWeight> (1,229)
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>  <Item Name> (1,229)
Reparixin (Repertaxin)

>  <Catalog Number> (1,229)
S8640

>  <Synonyms> (1,229)
N/A

>  <Target> (1,229)
CXCR1,CXCR2,CXCL8

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free base

>  <URL> (1,229)
http://www.selleckchem.com/products/reparixin-repertaxin.html

>  <CAS Number> (1,229)
266359-83-5

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,230)
1230

>  <Formula> (1,230)
C18H19NO2S2

>  <MolWeight> (1,230)
345.47896

>  <Item Name> (1,230)
PKM2 inhibitor(compound 3k)

>  <Catalog Number> (1,230)
S8616

>  <Synonyms> (1,230)
N/A

>  <Target> (1,230)
PKM2

>  <Form> (1,230)
free base

>  <URL> (1,230)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

>  <CAS Number> (1,230)
94164-88-2

$$$$
S3650 Penicillin V potassium salt.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.4711    2.8060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,231)
1231

>  <Formula> (1,231)
C16H17KN2O5S

>  <MolWeight> (1,231)
388.47988

>  <Item Name> (1,231)
Penicillin V potassium salt

>  <Catalog Number> (1,231)
S3650

>  <Synonyms> (1,231)
Phenoxymethylpenicillin potassium salt

>  <Target> (1,231)
Antifection

>  <Form> (1,231)
potassium salt

>  <URL> (1,231)
http://www.selleckchem.com/products/penicillin-v-potassium-salt.html

>  <CAS Number> (1,231)
132-98-9

$$$$
Chondroitin sulfate.cdx
csChFnd80/10101813242D

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A   33
n
M  END
>  <Mol_ID> (1,232)
1232

>  <Formula> (1,232)
C16H27NO14RS

>  <MolWeight> (1,232)
489.44888

>  <Item Name> (1,232)
Chondroitin sulfate

>  <Catalog Number> (1,232)
S2416

>  <Synonyms> (1,232)
N/A

>  <Target> (1,232)
Others

>  <Form> (1,232)
sulfate

>  <URL> (1,232)
http://www.selleckchem.com/products/chondroitin-sulfate.html

>  <CAS Number> (1,232)
9007-28-7

$$$$
S3667 Imipenem.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,233)
1233

>  <Formula> (1,233)
C12H19N3O5S

>  <MolWeight> (1,233)
317.36136

>  <Item Name> (1,233)
Imipenem

>  <Catalog Number> (1,233)
S3667

>  <Synonyms> (1,233)
N/A

>  <Target> (1,233)
AmpC ¦Â-lactamase

>  <Form> (1,233)
hydrate

>  <URL> (1,233)
http://www.selleckchem.com/products/imipenem.html

>  <CAS Number> (1,233)
74431-23-5

$$$$
MKC-3946.cdx
csChFnd80/10101813242D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,234)
1234

>  <Formula> (1,234)
C21H20N2O3S

>  <MolWeight> (1,234)
380.4601

>  <Item Name> (1,234)
MKC-3946

>  <Catalog Number> (1,234)
S8286

>  <Synonyms> (1,234)
N/A

>  <Target> (1,234)
IRE1¦Á endoribonuclease

>  <Form> (1,234)
free base

>  <URL> (1,234)
http://www.selleckchem.com/products/mkc-3946.html

>  <CAS Number> (1,234)
1093119-54-0

$$$$
S3649 Ceftazidime.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,235)
1235

>  <Formula> (1,235)
C22H22N6O7S2

>  <MolWeight> (1,235)
546.57608

>  <Item Name> (1,235)
Ceftazidime

>  <Catalog Number> (1,235)
S3649

>  <Synonyms> (1,235)
N/A

>  <Target> (1,235)
Antifection

>  <Form> (1,235)
inner salt

>  <URL> (1,235)
http://www.selleckchem.com/products/ceftazidime.html

>  <CAS Number> (1,235)
72558-82-8

$$$$
S3662 Pirenzepine (dihydrochloride).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,236)
1236

>  <Formula> (1,236)
C19H23Cl2N5O2

>  <MolWeight> (1,236)
424.32422

>  <Item Name> (1,236)
Pirenzepine dihydrochloride

>  <Catalog Number> (1,236)
S3662

>  <Synonyms> (1,236)
N/A

>  <Target> (1,236)
AChR

>  <Form> (1,236)
dihydrochloride

>  <URL> (1,236)
http://www.selleckchem.com/products/pirenzepine-dihydrochlori

>  <CAS Number> (1,236)
29868-97-1

$$$$
S3669 Carmustine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,237)
1237

>  <Formula> (1,237)
C5H9Cl2N3O2

>  <MolWeight> (1,237)
214.04986

>  <Item Name> (1,237)
Carmustine

>  <Catalog Number> (1,237)
S3669

>  <Synonyms> (1,237)
bis-chloroethylnitrosourea, BCNU, BiCNU|

>  <Target> (1,237)
Others

>  <Form> (1,237)
free base

>  <URL> (1,237)
http://www.selleckchem.com/products/carmustine.html

>  <CAS Number> (1,237)
154-93-8

$$$$
S3737 Cangrelor Tetrasodium.cdx
csChFnd80/10101813242D

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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,238)
1238

>  <Formula> (1,238)
C17H21Cl2F3N5Na4O12P3S2

>  <MolWeight> (1,238)
864.2865126

>  <Item Name> (1,238)
Cangrelor Tetrasodium

>  <Catalog Number> (1,238)
S3737

>  <Synonyms> (1,238)
AR-C69931MX

>  <Target> (1,238)
P2Y12 receptor

>  <Form> (1,238)
tetrasodium salt

>  <URL> (1,238)
http://www.selleckchem.com/products/cangrelor-tetrasodium.html

>  <CAS Number> (1,238)
163706-36-3

$$$$
S3721 Bilastine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,239)
1239

>  <Formula> (1,239)
C28H37N3O3

>  <MolWeight> (1,239)
463.61168

>  <Item Name> (1,239)
Bilastine

>  <Catalog Number> (1,239)
S3721

>  <Synonyms> (1,239)
N/A

>  <Target> (1,239)
H1 receptor

>  <Form> (1,239)
free base

>  <URL> (1,239)
http://www.selleckchem.com/products/bilastine.html

>  <CAS Number> (1,239)
202189-78-4

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,240)
1240

>  <Formula> (1,240)
C12H8ClI

>  <MolWeight> (1,240)
314.54939

>  <Item Name> (1,240)
Diphenyleneiodonium chloride (DPI)

>  <Catalog Number> (1,240)
S8639

>  <Synonyms> (1,240)
N/A

>  <Target> (1,240)
NADPH oxidase

>  <Form> (1,240)
chloride

>  <URL> (1,240)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

>  <CAS Number> (1,240)
4673-26-1

$$$$
LYN-1604.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,241)
1241

>  <Formula> (1,241)
C33H45Cl4N3O2

>  <MolWeight> (1,241)
657.5413

>  <Item Name> (1,241)
LYN-1604

>  <Catalog Number> (1,241)
S8597

>  <Synonyms> (1,241)
N/A

>  <Target> (1,241)
ULK1

>  <Form> (1,241)
dihydrochloride

>  <URL> (1,241)
http://www.selleckchem.com/products/lyn-1604.html

>  <CAS Number> (1,241)
2088939-99-3(free base)

$$$$
GNF-6231.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,242)
1242

>  <Formula> (1,242)
C24H25FN6O2

>  <MolWeight> (1,242)
448.4927032

>  <Item Name> (1,242)
GNF-6231

>  <Catalog Number> (1,242)
S8644

>  <Synonyms> (1,242)
N/A

>  <Target> (1,242)
Porcupine

>  <Form> (1,242)
free base

>  <URL> (1,242)
http://www.selleckchem.com/products/gnf-6231.html

>  <CAS Number> (1,242)
1243245-18-2

$$$$
ACY-738.cdx
csChFnd80/10101813242D

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M  END
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C14H14N4O2

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ACY-738

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S8648

>  <Synonyms> (1,243)
N/A

>  <Target> (1,243)
HDAC6

>  <Form> (1,243)
free base

>  <URL> (1,243)
http://www.selleckchem.com/products/acy-738.html

>  <CAS Number> (1,243)
1375465-91-0

$$$$
S3642 Cesium chloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,244)
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>  <Formula> (1,244)
ClCs

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Cesium chloride

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S3642

>  <Synonyms> (1,244)
CsCl

>  <Target> (1,244)
Others

>  <Form> (1,244)
inorganic salt

>  <URL> (1,244)
http://www.selleckchem.com/products/cesium-chloride.html

>  <CAS Number> (1,244)
7647-17-8

$$$$
S3738 Travoprost.cdx
csChFnd80/10101813242D

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1245

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C26H35F3O6

>  <MolWeight> (1,245)
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>  <Item Name> (1,245)
Travoprost

>  <Catalog Number> (1,245)
S3738

>  <Synonyms> (1,245)
Travoprostum

>  <Target> (1,245)
 Prostaglandin F receptor

>  <Form> (1,245)
free base

>  <URL> (1,245)
http://www.selleckchem.com/products/travoprost.html

>  <CAS Number> (1,245)
157283-68-6

$$$$
S3715 Boldenone Undecylenate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,246)
1246

>  <Formula> (1,246)
C30H44O3

>  <MolWeight> (1,246)
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>  <Item Name> (1,246)
Boldenone Undecylenate

>  <Catalog Number> (1,246)
S3715

>  <Synonyms> (1,246)
N/A

>  <Target> (1,246)
androgen receptor

>  <Form> (1,246)
free base

>  <URL> (1,246)
http://www.selleckchem.com/products/boldenone-undecylenate.html

>  <CAS Number> (1,246)
13103-34-9

$$$$
EAD1.cdx
csChFnd80/10101813242D

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EAD1

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>  <Synonyms> (1,247)
N/A

>  <Target> (1,247)
Autophagy

>  <Form> (1,247)
Trifluoroacetate

>  <URL> (1,247)
http://www.selleckchem.com/products/ead1.html

>  <CAS Number> (1,247)
1644388-26-0(free base)

$$$$
COTI-2.cdx
csChFnd80/10101813242D

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M  END
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COTI-2

>  <Catalog Number> (1,248)
S8580

>  <Synonyms> (1,248)
N/A

>  <Target> (1,248)
p53 mutants

>  <Form> (1,248)
free base

>  <URL> (1,248)
http://www.selleckchem.com/products/coti-2.html

>  <CAS Number> (1,248)
1039455-84-9

$$$$
S3736 Fondaparinux Sodium.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,249)
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>  <Formula> (1,249)
C31H43N3Na10O49S8

>  <MolWeight> (1,249)
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>  <Item Name> (1,249)
Fondaparinux Sodium

>  <Catalog Number> (1,249)
S3736

>  <Synonyms> (1,249)
Natural heparin pentasaccharide Sodium

>  <Target> (1,249)
Factor Xa

>  <Form> (1,249)
decasodium salt

>  <URL> (1,249)
http://www.selleckchem.com/products/fondaparinux-sodium.html

>  <CAS Number> (1,249)
114870-03-0

$$$$
S3748 Acamprosate Calcium.cdx
csChFnd80/10101813242D

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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
A   12
?0.5Ca2+?
M  END
>  <Mol_ID> (1,250)
1250

>  <Formula> (1,250)
C5H10NO4RS-

>  <MolWeight> (1,250)
180.2022

>  <Item Name> (1,250)
Acamprosate CalciuM

>  <Catalog Number> (1,250)
S3748

>  <Synonyms> (1,250)
N-Acetylhomotaurine Calcium, calcium acetylhomotaurinate

>  <Target> (1,250)
GABA Receptor

>  <Form> (1,250)
calcium salt

>  <URL> (1,250)
http://www.selleckchem.com/products/acamprosate-calcium.html

>  <CAS Number> (1,250)
77337-73-6

$$$$
S3749 Calcium gluconate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,251)
1251

>  <Formula> (1,251)
C12H24CaO15

>  <MolWeight> (1,251)
448.38796

>  <Item Name> (1,251)
Calcium gluconate

>  <Catalog Number> (1,251)
S3749

>  <Synonyms> (1,251)
Calcarea gluconica, Calcium gluconate anhydrous, Calcium D-gluconate, Calciofon, Glucobiogen

>  <Target> (1,251)
Others

>  <Form> (1,251)
calcium salt, hydrate

>  <URL> (1,251)
http://www.selleckchem.com/products/calcium-gluconate.html

>  <CAS Number> (1,251)
66905-23-5

$$$$
octocrylene.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,252)
1252

>  <Formula> (1,252)
C24H27NO2

>  <MolWeight> (1,252)
361.47668

>  <Item Name> (1,252)
Octocrylene

>  <Catalog Number> (1,252)
S1750

>  <Synonyms> (1,252)
N/A

>  <Target> (1,252)
Others

>  <Form> (1,252)
free base

>  <URL> (1,252)
http://www.selleckchem.com/products/octocrylene.html

>  <CAS Number> (1,252)
6197-30-4

$$$$
FM-381.cdx
csChFnd80/10101813242D

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>  <Formula> (1,253)
C24H24N6O2

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>  <Synonyms> (1,253)
N/A

>  <Target> (1,253)
JAK3

>  <Form> (1,253)
free base

>  <URL> (1,253)
http://www.selleckchem.com/products/fm-381.html

>  <CAS Number> (1,253)
No

$$$$
CA-4948.cdx
csChFnd80/10101813242D

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IRAK4

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free base

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http://www.selleckchem.com/products/ca-4948.html

>  <CAS Number> (1,254)
1801343-74-7

$$$$
PF-06840003.cdx
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STAT3

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free base

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432001-19-9

$$$$
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csChFnd80/10101813242D

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3PO

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3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

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PFKFB3

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free base

>  <URL> (1,260)
http://www.selleckchem.com/products/3po.html

>  <CAS Number> (1,260)
18550-98-6

$$$$
BAY 1895344.cdx
csChFnd80/10101813242D

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1261

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C20H22ClN7O

>  <MolWeight> (1,261)
411.88798

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BAY 1895344

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S8666

>  <Synonyms> (1,261)
N/A

>  <Target> (1,261)
ATR

>  <Form> (1,261)
hydrochloride

>  <URL> (1,261)
http://www.selleckchem.com/products/bay-1895344.html

>  <CAS Number> (1,261)
1876467-74-1(free base)

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,262)
1262

>  <Formula> (1,262)
C21H25ClN2O2

>  <MolWeight> (1,262)
372.8884

>  <Item Name> (1,262)
CBL0137(CBL-0137)

>  <Catalog Number> (1,262)
S8483

>  <Synonyms> (1,262)
CBLC137, Curaxin 137

>  <Target> (1,262)
FACT,p53,NF-¦ÊB 

>  <Form> (1,262)
hydrochloride

>  <URL> (1,262)
http://www.selleckchem.com/products/cbl0137-cbl-0137.html

>  <CAS Number> (1,262)
1197397-89-9

$$$$
S3944 Valproic acid.cdx
csChFnd80/10101813242D

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1263

>  <Formula> (1,263)
C8H16O2

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Valproic acid

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>  <Synonyms> (1,263)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (1,263)
HDAC1

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free base

>  <URL> (1,263)
http://www.selleckchem.com/products/valproic-acid.html

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99-66-1

$$$$
S3965 Vanillyl Butyl Ether.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,264)
1264

>  <Formula> (1,264)
C12H18O3

>  <MolWeight> (1,264)
210.26952

>  <Item Name> (1,264)
Vanillyl Butyl Ether

>  <Catalog Number> (1,264)
S3965

>  <Synonyms> (1,264)
4-(Butoxymethyl)-2-methoxyphenol

>  <Target> (1,264)
Others

>  <URL> (1,264)
http://www.selleckchem.com/products/vanillyl-butyl-ether.html

>  <CAS Number> (1,264)
82654-98-6

$$$$
S3761 Eucalyptol.cdx
csChFnd80/10101813242D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046    2.5647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    2.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    4.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9980    0.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0422    3.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,265)
1265

>  <Formula> (1,265)
C10H18O

>  <MolWeight> (1,265)
154.24932

>  <Item Name> (1,265)
Eucalyptol

>  <Catalog Number> (1,265)
S3761

>  <Synonyms> (1,265)
1,8-cineol; 1,8-cineole|cajeputol; 1,8-epoxy-p-menthane; 1,8-oxido-p-menthane; cineol; cineole

>  <Target> (1,265)
Others

>  <Form> (1,265)
free base

>  <URL> (1,265)
http://www.selleckchem.com/products/eucalyptol.html

>  <CAS Number> (1,265)
470-82-6

$$$$
S3756 Methyl salicylate.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4046    2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1786    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5868    0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8161    2.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1956    4.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    4.9194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,266)
1266

>  <Formula> (1,266)
C8H8O3

>  <MolWeight> (1,266)
152.14732

>  <Item Name> (1,266)
Methyl salicylate

>  <Catalog Number> (1,266)
S3756

>  <Synonyms> (1,266)
2-Carbomethoxyphenol, Betula oil, Gaultheria oil, Methyl 2-hydroxybenzoate, Natural wintergreen oil

>  <Target> (1,266)
TRPA1,TRPV1

>  <Form> (1,266)
free base

>  <URL> (1,266)
http://www.selleckchem.com/products/methyl-salicylate.html

>  <CAS Number> (1,266)
119-36-8

$$$$
S3763 Cinnamaldehyde.cdx
csChFnd80/10101813242D

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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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    3.6373    2.8000    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
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  3  4  1  0  0  0  0
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  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,267)
1267

>  <Formula> (1,267)
C9H8O

>  <MolWeight> (1,267)
132.15922

>  <Item Name> (1,267)
Cinnamaldehyde

>  <Catalog Number> (1,267)
S3763

>  <Synonyms> (1,267)
N/A

>  <Target> (1,267)
TRPA1

>  <Form> (1,267)
free base

>  <URL> (1,267)
http://www.selleckchem.com/products/cinnamaldehyde.html

>  <CAS Number> (1,267)
14371-10-9

$$$$
S3821 Nuciferine.cdx
csChFnd80/10101813242D

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    3.6601    4.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8761    3.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,268)
1268

>  <Formula> (1,268)
C19H21NO2

>  <MolWeight> (1,268)
295.37554

>  <Item Name> (1,268)
Nuciferine

>  <Catalog Number> (1,268)
S3821

>  <Synonyms> (1,268)
Sanjoinine E, (-)-Nuciferine, VLT 049|

>  <Target> (1,268)
Others

>  <Form> (1,268)
free base

>  <URL> (1,268)
http://www.selleckchem.com/products/nuciferine.html

>  <CAS Number> (1,268)
475-83-2

$$$$
ONC212.cdx
csChFnd80/10101813242D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,269)
1269

>  <Formula> (1,269)
C24H23F3N4O

>  <MolWeight> (1,269)
440.4608296

>  <Item Name> (1,269)
ONC212

>  <Catalog Number> (1,269)
S8673

>  <Synonyms> (1,269)
N/A

>  <Target> (1,269)
Others

>  <Form> (1,269)
free base

>  <URL> (1,269)
http://www.selleckchem.com/products/onc212.html

>  <CAS Number> (1,269)
1807861-48-8

$$$$
S3770 Sodium Aescinate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,270)
1270

>  <Formula> (1,270)
C54H83NaO23

>  <MolWeight> (1,270)
1123.21279

>  <Item Name> (1,270)
Sodium Aescinate

>  <Catalog Number> (1,270)
S3770

>  <Synonyms> (1,270)
Escin sodium salt

>  <Target> (1,270)
Others

>  <Form> (1,270)
sodium salt

>  <URL> (1,270)
http://www.selleckchem.com/products/sodium-aescinate.html

>  <CAS Number> (1,270)
20977-05-3

$$$$
S3788 Carvacrol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,271)
1271

>  <Formula> (1,271)
C10H14O

>  <MolWeight> (1,271)
150.21756

>  <Item Name> (1,271)
Carvacrol

>  <Catalog Number> (1,271)
S3788

>  <Synonyms> (1,271)
cymophenol

>  <Target> (1,271)
Others

>  <Form> (1,271)
free base

>  <URL> (1,271)
http://www.selleckchem.com/products/carvacrol.html

>  <CAS Number> (1,271)
499-75-2

$$$$
S3779 cis-Anethol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,272)
1272

>  <Formula> (1,272)
C10H12O

>  <MolWeight> (1,272)
148.20168

>  <Item Name> (1,272)
cis-Anethole

>  <Catalog Number> (1,272)
S3779

>  <Synonyms> (1,272)
(Z)-Anethole, Cis-p-Propenylanisole, Cis-p-Anethole

>  <Target> (1,272)
Others

>  <Form> (1,272)
free base

>  <URL> (1,272)
http://www.selleckchem.com/products/cis-anethole.html

>  <CAS Number> (1,272)
104-46-1

$$$$
S3853 Perillyl alcohol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,273)
1273

>  <Formula> (1,273)
C10H16O

>  <MolWeight> (1,273)
152.23344

>  <Item Name> (1,273)
Perillyl alcohol

>  <Catalog Number> (1,273)
S3853

>  <Synonyms> (1,273)
Perilla alcohol, Isocarveol

>  <Target> (1,273)
Others

>  <Form> (1,273)
free base

>  <URL> (1,273)
http://www.selleckchem.com/products/perillyl-alcohol.html

>  <CAS Number> (1,273)
536-59-4

$$$$
S3860 Allicin.cdx
csChFnd80/10101813242D

  9  8  0  0  0  0  0  0  0  0999 V2000
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    4.8638    0.1715    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5105    0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322    2.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1432    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2619    0.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,274)
1274

>  <Formula> (1,274)
C6H10OS2

>  <MolWeight> (1,274)
162.273

>  <Item Name> (1,274)
Allicin

>  <Catalog Number> (1,274)
S3860

>  <Synonyms> (1,274)
diallyl thiosulfinate

>  <Target> (1,274)
Others

>  <Form> (1,274)
free base

>  <URL> (1,274)
http://www.selleckchem.com/products/allicin.html

>  <CAS Number> (1,274)
539-86-6

$$$$
S3871 Muscone.cdx
csChFnd80/10101813242D

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    6.4454    2.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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M  END
>  <Mol_ID> (1,275)
1275

>  <Formula> (1,275)
C16H30O

>  <MolWeight> (1,275)
238.4088

>  <Item Name> (1,275)
Muscone

>  <Catalog Number> (1,275)
S3871

>  <Synonyms> (1,275)
3-Methylcyclopentadecanone, Methylexaltone

>  <Target> (1,275)
Immunology & Inflammation

>  <Form> (1,275)
free base

>  <URL> (1,275)
http://www.selleckchem.com/products/muscone.html

>  <CAS Number> (1,275)
541-91-3

$$$$
S3762 methylnonylketone.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    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
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    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
   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
    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  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,276)
1276

>  <Formula> (1,276)
C11H22O

>  <MolWeight> (1,276)
170.29178

>  <Item Name> (1,276)
Methylnonylketone

>  <Catalog Number> (1,276)
S3762

>  <Synonyms> (1,276)
2-Undecanone, IBI-246

>  <Target> (1,276)
Others

>  <Form> (1,276)
free base

>  <URL> (1,276)
http://www.selleckchem.com/products/methylnonylketone.html

>  <CAS Number> (1,276)
112-12-9

$$$$
S3893 Bornyl acetate.cdx
csChFnd80/10101813242D

 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
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  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
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  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> (1,277)
1277

>  <Formula> (1,277)
C12H20O2

>  <MolWeight> (1,277)
196.286

>  <Item Name> (1,277)
Bornyl acetate

>  <Catalog Number> (1,277)
S3893

>  <Synonyms> (1,277)
 Isobornyl acetate, Bornyl acetic ether, 2-Camphanol acetate

>  <Target> (1,277)
Immunology & Inflammation

>  <Form> (1,277)
free base

>  <URL> (1,277)
http://www.selleckchem.com/products/bornyl-acetate.html

>  <CAS Number> (1,277)
76-49-3

$$$$
S3891 Vincamine.cdx
csChFnd80/10101813242D

 27 31  0  0  0  0  0  0  0  0999 V2000
    5.0498    4.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1657    3.0634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4215    3.8093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6096    5.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    1.7320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7213    3.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690    2.5287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3382    4.8681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2270    1.5171    0.0000 C   0  0  0  0  0  0  0  0  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 13  1  1  0  0  0
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  6  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  6  0  0  0
  7 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  2  0  0  0  0
 10 17  1  0  0  0  0
 12 20  1  0  0  0  0
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 14 22  1  0  0  0  0
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 16 24  1  0  0  0  0
 18 23  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,278)
1278

>  <Formula> (1,278)
C21H26N2O3

>  <MolWeight> (1,278)
354.44274

>  <Item Name> (1,278)
Vincamine

>  <Catalog Number> (1,278)
S3891

>  <Synonyms> (1,278)
Angiopac, Devincan, Equipur, Minorin, Novicet, Oxybral, Perval, Sostenil, Tripervan

>  <Target> (1,278)
Others

>  <Form> (1,278)
free base

>  <URL> (1,278)
http://www.selleckchem.com/products/vincamine.html

>  <CAS Number> (1,278)
1617-90-9

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/10101813242D

 26 30  0  0  0  0  0  0  0  0999 V2000
    3.4240    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6364    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1803    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0032    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1803    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.7976    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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  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
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  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
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 11 12  1  1  0  0  0
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,279)
1279

>  <Formula> (1,279)
C17H15N9

>  <MolWeight> (1,279)
345.3613

>  <Item Name> (1,279)
Savolitinib(AZD6094, HMPL-504)

>  <Catalog Number> (1,279)
S7674

>  <Synonyms> (1,279)
Volitinib

>  <Target> (1,279)
MET

>  <Form> (1,279)
free base

>  <URL> (1,279)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

>  <CAS Number> (1,279)
1313725-88-0

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/10101813242D

 21 19  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.6124    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
  2  4  1  0  0  0  0
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  3  6  2  0  0  0  0
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  5  8  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,280)
1280

>  <Formula> (1,280)
C14H27NaO5S

>  <MolWeight> (1,280)
330.41595

>  <Item Name> (1,280)
Sodium Houttuyfonate

>  <Catalog Number> (1,280)
S3801

>  <Synonyms> (1,280)
N/A

>  <Target> (1,280)
Antifection

>  <Form> (1,280)
sodium salt

>  <URL> (1,280)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

>  <CAS Number> (1,280)
1847-58-1

$$$$
S3810 Scutellarin.cdx
csChFnd80/10101813242D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Breviscapinun

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S5152

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Scutellarin, Scutellarein-7-glucuronide

>  <Target> (1,281)
Others

>  <Form> (1,281)
free base

>  <URL> (1,281)
http://selleckchem.com/products/breviscapinun.html

>  <CAS Number> (1,281)
27740-01-8

$$$$
S3813 Bakuchiol.cdx
csChFnd80/10101813242D

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Bakuchiol

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>  <Synonyms> (1,282)
(S)-(+)-Bakuchiol

>  <Target> (1,282)
Immunology & Inflammation related

>  <Form> (1,282)
free base

>  <URL> (1,282)
http://www.selleckchem.com/products/bakuchiol.html

>  <CAS Number> (1,282)
10309-37-2

$$$$
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csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,287)
1287

>  <Formula> (1,287)
C29H34Cl2N8O4

>  <MolWeight> (1,287)
629.53746

>  <Item Name> (1,287)
H3B-6527

>  <Catalog Number> (1,287)
S8675

>  <Synonyms> (1,287)
N/A

>  <Target> (1,287)
FGFR4

>  <Form> (1,287)
free base

>  <URL> (1,287)
http://www.selleckchem.com/products/h3b-6527.html

>  <CAS Number> (1,287)
1702259-66-2

$$$$
S3806 Angelic anhydride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,288)
1288

>  <Formula> (1,288)
C10H14O3

>  <MolWeight> (1,288)
182.21636

>  <Item Name> (1,288)
Angelic anhydride

>  <Catalog Number> (1,288)
S3806

>  <Synonyms> (1,288)
2-Methylisocrotonic Anhydride, (Z)-2-Methylbut-2-enoic anhydride

>  <Target> (1,288)
Others

>  <Form> (1,288)
free base

>  <URL> (1,288)
http://www.selleckchem.com/products/angelic-anhydride.html

>  <CAS Number> (1,288)
94487-74-8

$$$$
S3681.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,289)
1289

>  <Formula> (1,289)
C31H52O3

>  <MolWeight> (1,289)
472.74278

>  <Item Name> (1,289)
Vitamin E Acetate

>  <Catalog Number> (1,289)
S3681

>  <Synonyms> (1,289)
Tocopherol acetate

>  <Target> (1,289)
Others

>  <Form> (1,289)
free base

>  <URL> (1,289)
http://www.selleckchem.com/products/vitamin-e-acetate.html

>  <CAS Number> (1,289)
58-95-7

$$$$
S5118 (+)-Abscisic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,290)
1290

>  <Formula> (1,290)
C15H20O4

>  <MolWeight> (1,290)
264.3169

>  <Item Name> (1,290)
(+)-Abscisic acid

>  <Catalog Number> (1,290)
S5118

>  <Synonyms> (1,290)
Dormin, (+)-ABA

>  <Target> (1,290)
Others

>  <Form> (1,290)
free base

>  <URL> (1,290)
http://www.selleckchem.com/products/abscisic-acid.html

>  <CAS Number> (1,290)
21293-29-8

$$$$
S5161 1-Octacosanol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,291)
1291

>  <Formula> (1,291)
C28H58O

>  <MolWeight> (1,291)
410.75952

>  <Item Name> (1,291)
1-Octacosanol

>  <Catalog Number> (1,291)
S5161

>  <Synonyms> (1,291)
n-Octacosanol, Octacosyl alcohol, Octanosol, Montanyl alcohol, Cluytyl alcohol

>  <Target> (1,291)
Others

>  <Form> (1,291)
free base

>  <URL> (1,291)
http://www.selleckchem.com/products/1-octacosanol.html

>  <CAS Number> (1,291)
557-61-9

$$$$
Takinib.cdx
csChFnd80/10101813242D

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1111556-37-6

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YAP/TEAD interaction

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free base

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300802-28-2

$$$$
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csChFnd80/10101813242D

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$$$$
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http://www.selleckchem.com/products/mucic-acid.html

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1668565-74-9

$$$$
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csChFnd80/10101813242D

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p110¦Ä

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1425043-73-7

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S5170 Coumarin 6.cdx
csChFnd80/10101813242D

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38215-36-0

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S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/10101813242D

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sodium salt

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66170-10-3

$$$$
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$$$$
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$$$$
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M  END
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1302

>  <Formula> (1,302)
C89H171F3N52O21S2

>  <MolWeight> (1,302)
2426.7710496

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GO-203

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S8674

>  <Synonyms> (1,302)
N/A

>  <Target> (1,302)
MUC-1C

>  <Form> (1,302)
trifluoroacetate

>  <URL> (1,302)
http://www.selleckchem.com/products/go-203.html

>  <CAS Number> (1,302)
1222186-26-6

$$$$
ML204.cdx
csChFnd80/10101813242D

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1303

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C15H18N2

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226.31682

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ML204

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S8691

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N/A

>  <Target> (1,303)
TRPC4

>  <Form> (1,303)
free base

>  <URL> (1,303)
http://www.selleckchem.com/products/ml204.html

>  <CAS Number> (1,303)
5465-86-1

$$$$
S4821 Glycine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,304)
1304

>  <Formula> (1,304)
C2H5NO2

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75.0666

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Glycine

>  <Catalog Number> (1,304)
S4821

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 2-Aminoacetic acid, Aminoacetic acid, Glycocoll

>  <Target> (1,304)
Others

>  <Form> (1,304)
free base

>  <URL> (1,304)
http://www.selleckchem.com/products/glycine.html

>  <CAS Number> (1,304)
56-40-6

$$$$
S4826 Aluminium hydroxide.cdx
csChFnd80/10101813242D

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1305

>  <Formula> (1,305)
AlH3O3

>  <MolWeight> (1,305)
78.003558

>  <Item Name> (1,305)
Aluminium hydroxide

>  <Catalog Number> (1,305)
S4826

>  <Synonyms> (1,305)
Aluminic hydroxide, Aluminum trihydroxide, Aluminium(III) hydroxide

>  <Target> (1,305)
Others

>  <Form> (1,305)
free base

>  <URL> (1,305)
http://www.selleckchem.com/products/aluminium-hydroxide.html

>  <CAS Number> (1,305)
21645-51-2

$$$$
S5005 Cefotiam hydrochloride.cdx
csChFnd80/10101813242D

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66309-69-1

$$$$
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BVDU

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Antifection

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free base

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

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69304-47-8

$$$$
UNC0642.cdx
csChFnd80/10101813242D

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1481677-78-4

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>  <Mol_ID> (1,311)
1311

>  <Formula> (1,311)
C25H25F3N4O6

>  <MolWeight> (1,311)
534.4844096

>  <Item Name> (1,311)
Delamanid

>  <Catalog Number> (1,311)
S5007

>  <Synonyms> (1,311)
OPC-67683

>  <Target> (1,311)
Others

>  <Form> (1,311)
free base

>  <URL> (1,311)
http://www.selleckchem.com/products/delamanid.html

>  <CAS Number> (1,311)
681492-22-8

$$$$
S5015 Simeprevir.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,312)
1312

>  <Formula> (1,312)
C38H47N5O7S2

>  <MolWeight> (1,312)
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>  <Item Name> (1,312)
TMC-435, TMC-435350

>  <Catalog Number> (1,312)
S5015

>  <Synonyms> (1,312)
TMC-435, TMC-435350

>  <Target> (1,312)
HCV NS3/4A protease

>  <Form> (1,312)
free base

>  <URL> (1,312)
http://www.selleckchem.com/products/simeprevir.html

>  <CAS Number> (1,312)
923604-59-5

$$$$
JQ-EZ-05 (JQEZ5).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,313)
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N/A

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EZH1,EZH2

>  <Form> (1,313)
free base

>  <URL> (1,313)
http://www.selleckchem.com/products/jq-ez-05-jqez5.html

>  <CAS Number> (1,313)
1913252-04-6

$$$$
Stenabolic (SR9009).cdx
csChFnd80/10101813242D

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REV-ERB-¦Á,REV-ERB-¦Â

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free base

>  <URL> (1,314)
http://www.selleckchem.com/products/stenabolic-sr9009.html

>  <CAS Number> (1,314)
1379686-30-2

$$$$
S4978 Azathramycin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,315)
1315

>  <Formula> (1,315)
C37H70N2O12

>  <MolWeight> (1,315)
734.9579

>  <Item Name> (1,315)
Azathramycin

>  <Catalog Number> (1,315)
S4978

>  <Synonyms> (1,315)
Azaerythromycin A, Azaerythromycin

>  <Target> (1,315)
Anti-infection

>  <URL> (1,315)
http://selleckchem.com/products/azathramycin.html

>  <CAS Number> (1,315)
76801-85-9

$$$$
S4980 Anamorelin.cdx
csChFnd80/10101813242D

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1316

>  <Formula> (1,316)
C31H42N6O3

>  <MolWeight> (1,316)
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>  <Item Name> (1,316)
Anamorelin

>  <Catalog Number> (1,316)
S4980

>  <Synonyms> (1,316)
ONO-7643, RC-1291, ST-1291

>  <Target> (1,316)
Others

>  <Form> (1,316)
free base

>  <URL> (1,316)
http://selleckchem.com/products/anamorelin.html

>  <CAS Number> (1,316)
249921-19-5

$$$$
S4981 Cyclogalegenol.cdx
csChFnd80/10101813242D

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 10  9  1  0  0  0  0
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 10 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,317)
1317

>  <Formula> (1,317)
C30H50O5

>  <MolWeight> (1,317)
490.715

>  <Item Name> (1,317)
Cyclogalegenol

>  <Catalog Number> (1,317)
S4981

>  <Synonyms> (1,317)
Astramembrangenin, Cyclosieversigenin

>  <Target> (1,317)
Telomerase

>  <URL> (1,317)
http://selleckchem.com/products/cyclogalegenol.html

>  <CAS Number> (1,317)
78574-94-4

$$$$
S5033 Terconazole.cdx
csChFnd80/10101813242D

 36 40  0  0  0  0  0  0  0  0999 V2000
   14.3228    6.8085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.2596    5.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8401    3.5155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8270    4.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,318)
1318

>  <Formula> (1,318)
C26H31Cl2N5O3

>  <MolWeight> (1,318)
532.46204

>  <Item Name> (1,318)
Terconazole

>  <Catalog Number> (1,318)
S5033

>  <Synonyms> (1,318)
Terazol 3, Terazol 7, Triaconazole, Gyno-Terazol 

>  <Target> (1,318)
Anti-infection

>  <Form> (1,318)
free base

>  <URL> (1,318)
http://selleckchem.com/products/terconazole.html

>  <CAS Number> (1,318)
67915-31-5

$$$$
S5049 Thiocolchicoside.cdx
csChFnd80/10101813242D

 39 42  0  0  0  0  0  0  0  0999 V2000
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    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3692    5.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3415    7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8286    9.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,319)
1319

>  <Formula> (1,319)
C27H33NO10S

>  <MolWeight> (1,319)
563.61662

>  <Item Name> (1,319)
Thiocolchicoside

>  <Catalog Number> (1,319)
S5049

>  <Synonyms> (1,319)
Thiocolchicine 2-glucoside analog, Coltramyl

>  <Target> (1,319)
GABA Receptor

>  <URL> (1,319)
http://selleckchem.com/products/thiocolchicoside.html

>  <CAS Number> (1,319)
602-41-5

$$$$
2-D08.cdx
csChFnd80/10101813242D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,320)
1320

>  <Formula> (1,320)
C15H10O5

>  <MolWeight> (1,320)
270.2369

>  <Item Name> (1,320)
2-D08
2-D08

>  <Catalog Number> (1,320)
S8696

>  <Synonyms> (1,320)
2',3',4'-trihydroxy flavone

>  <Target> (1,320)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (1,320)
free base

>  <URL> (1,320)
http://selleckchem.com/products/2-d08.html

>  <CAS Number> (1,320)
144707-18-6

$$$$
SHP099.cdx
csChFnd80/10101813242D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.2792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.8792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0618    0.2269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8477    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  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
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,321)
1321

>  <Formula> (1,321)
C16H20Cl3N5

>  <MolWeight> (1,321)
388.7225

>  <Item Name> (1,321)
SHP099 hydrochloride

>  <Catalog Number> (1,321)
S8278

>  <Synonyms> (1,321)
N/A

>  <Target> (1,321)
phosphatase

>  <Form> (1,321)
hydrochloride 

>  <URL> (1,321)
http://selleckchem.com/products/shp099-dihydrochloride.html

>  <CAS Number> (1,321)
1801747-42-1(free base)

$$$$
S4985 Dimetghyl4-Hydroxyisophthalate.cdx
csChFnd80/10101813242D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.4336    2.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220    4.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    0.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8356    2.0686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6115    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262    5.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    1.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    6.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0272    6.3135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447    5.5494    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
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  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
  6 10  2  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,322)
1322

>  <Formula> (1,322)
C10H10O5

>  <MolWeight> (1,322)
210.1834

>  <Item Name> (1,322)
Dimetghyl 4-Hydroxyisophthalate

>  <Catalog Number> (1,322)
S4985

>  <Synonyms> (1,322)
4-Hydroxyisophthalic acid dimethyl ester

>  <Target> (1,322)
Others

>  <Form> (1,322)
free base

>  <URL> (1,322)
http://selleckchem.com/products/dimetghyl4-hydroxyisophthalate.html

>  <CAS Number> (1,322)
5985-24-0

$$$$
S4989 Aminooxyacetic acid hemihydrochloride.cdx
csChFnd80/10101813242D

  7  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.5084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3506    0.0000    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
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
A    7
?0.5HCl?
M  END
>  <Mol_ID> (1,323)
1323

>  <Formula> (1,323)
C2H5NO3R

>  <MolWeight> (1,323)
91.066

>  <Item Name> (1,323)
AOA hemihydrochloride

>  <Catalog Number> (1,323)
S4989

>  <Synonyms> (1,323)
Carboxymethoxylamine hemihydrochloride, AOAA hemihydrochloride, AOA hemihydrochloride

>  <Target> (1,323)
Transferase

>  <Form> (1,323)
hemihydrochloride

>  <URL> (1,323)
http://selleckchem.com/products/aminooxyacetic-acid-hemihydrochloride.html

>  <CAS Number> (1,323)
2921-14-4

$$$$
S4990 TBHQ.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8386    1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1423    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    3.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    3.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8208    3.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    3.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,324)
1324

>  <Formula> (1,324)
C10H14O2

>  <MolWeight> (1,324)
166.21696

>  <Item Name> (1,324)
TBHQ

>  <Catalog Number> (1,324)
S4990

>  <Synonyms> (1,324)
Tert-butylhydroquinone

>  <Target> (1,324)
Nrf2

>  <Form> (1,324)
free base

>  <URL> (1,324)
http://selleckchem.com/products/tbhq.html

>  <CAS Number> (1,324)
1948-33-0

$$$$
S5023 Nadolol.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.4557    5.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4557    7.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    5.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6778    5.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6778    8.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    8.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    3.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9037    5.9835    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9037    7.3835    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    7.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4360    3.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1337    5.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1337    8.0796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4360    1.8153    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6145    1.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2496    1.1193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8011    1.8390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9835    1.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500    0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6833    2.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071    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  1  0  0  0  0
  6 11  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  1  0  0  0
  9 10  1  0  0  0  0
 10 14  1  1  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,325)
1325

>  <Formula> (1,325)
C17H27NO4

>  <MolWeight> (1,325)
309.40058

>  <Item Name> (1,325)
Nadolol

>  <Catalog Number> (1,325)
S5023

>  <Synonyms> (1,325)
Corgard, Solgol, Anabet

>  <Target> (1,325)
Androgen Receptor

>  <Form> (1,325)
free base

>  <URL> (1,325)
http://selleckchem.com/products/nadolol.html

>  <CAS Number> (1,325)
42200-33-9

$$$$
S5025 Efinaconazole.cdx
csChFnd80/10101813242D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.8724    4.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2803    6.0564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4394    7.1758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    8.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5769    7.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    6.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1812    2.8128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8921    1.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9272    0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2586    0.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5524    2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5133    3.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8575    3.2058    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1444    3.7463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2937    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3145    5.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    3.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    2.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    1.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4390    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    4.6187    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    1.9508    0.0000 O   0  0  0  0  0  0  0  0  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
  2  6  1  0  0  0  0
  1  2  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
  7 12  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  1  0  0  0  0
 13  1  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  1  1  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
 17 22  2  0  0  0  0
 20 23  1  0  0  0  0
 18 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  6  0  0  0
M  END
>  <Mol_ID> (1,326)
1326

>  <Formula> (1,326)
C18H22F2N4O

>  <MolWeight> (1,326)
348.3902864

>  <Item Name> (1,326)
Efinaconazole

>  <Catalog Number> (1,326)
S5025

>  <Synonyms> (1,326)
KP-103

>  <Target> (1,326)
Anti-infection

>  <Form> (1,326)
free base

>  <URL> (1,326)
http://selleckchem.com/products/efinaconazole.html

>  <CAS Number> (1,326)
164650-44-6

$$$$
S5030 Dihydralazine sulphate.cdx
csChFnd80/10101813242D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.6372    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 N   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
    2.4247    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
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7944    1.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8819    0.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  1  0  0  0  0
  4 12  2  0  0  0  0
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  1 14  2  0  0  0  0
 15 16  2  0  0  0  0
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 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,327)
1327

>  <Formula> (1,327)
C8H12N6O4S

>  <MolWeight> (1,327)
288.28368

>  <Item Name> (1,327)
Dihydralazine sulphate

>  <Catalog Number> (1,327)
S5030

>  <Synonyms> (1,327)
Nepresol; Depressan; 1,4-Dihydrazinophthalazine sulfate; Hydralazine sulfate

>  <Target> (1,327)
Others

>  <URL> (1,327)
http://selleckchem.com/products/dihydralazine-sulphate.html

>  <CAS Number> (1,327)
7327-87-9

$$$$
S5031 Sulfaquinoxaline sodium.cdx
csChFnd80/10101813242D

 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
    7.2746    0.7000    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 N   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
   12.1244    0.7000    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    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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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  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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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 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
 17 20  1  0  0  0  0
 12 21  2  0  0  0  0
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,328)
1328

>  <Formula> (1,328)
C14H11N4NaO2S

>  <MolWeight> (1,328)
322.31751

>  <Item Name> (1,328)
Sulfaquinoxaline sodium

>  <Catalog Number> (1,328)
S5031

>  <Synonyms> (1,328)
SQ-Na

>  <Target> (1,328)
Anti-infection

>  <Form> (1,328)
sodium salt

>  <URL> (1,328)
http://selleckchem.com/products/sulfaquinoxaline-sodium.html

>  <CAS Number> (1,328)
967-80-6

$$$$
S5036 Nisin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,329)
1329

>  <Formula> (1,329)
C143H230N42O37S7

>  <MolWeight> (1,329)
3354.0705

>  <Item Name> (1,329)
Nisin

>  <Catalog Number> (1,329)
S5036

>  <Synonyms> (1,329)
Ambicin N

>  <Target> (1,329)
Anti-infection

>  <URL> (1,329)
http://selleckchem.com/products/nisin.html

>  <CAS Number> (1,329)
1414-45-5

$$$$
S5047 Methyl ¦Á-D-mannopyranoside.cdx
csChFnd80/10101813242D

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M  END
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1330

>  <Formula> (1,330)
C7H14O6

>  <MolWeight> (1,330)
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>  <Item Name> (1,330)
Methyl ¦Á-D-mannopyranoside

>  <Catalog Number> (1,330)
S5047

>  <Synonyms> (1,330)
N/A

>  <Target> (1,330)
Others

>  <Form> (1,330)
free base

>  <URL> (1,330)
http://selleckchem.com/products/methyl-alpha-d-mannopyranoside.html

>  <CAS Number> (1,330)
617-04-9

$$$$
S5055 Milbemycin Oxime.cdx
csChFnd80/10101813242D

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M  END
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>  <Formula> (1,331)
C30H40NO7R2

>  <MolWeight> (1,331)
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>  <Item Name> (1,331)
Milbemycin Oxime

>  <Catalog Number> (1,331)
S5055

>  <Synonyms> (1,331)
N/A

>  <Target> (1,331)
Anti-infection

>  <URL> (1,331)
http://selleckchem.com/products/milbemycin-oxime.html

>  <CAS Number> (1,331)
129496-10-2

$$$$
S5059 Pixantrone Maleate.cdx
csChFnd80/10101813242D

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>  <Formula> (1,332)
C25H27N5O10

>  <MolWeight> (1,332)
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>  <Item Name> (1,332)
Pixantrone Maleate

>  <Catalog Number> (1,332)
S5059

>  <Synonyms> (1,332)
BBR-2778

>  <Target> (1,332)
Topoisomerase

>  <Form> (1,332)
dimaleate

>  <URL> (1,332)
http://selleckchem.com/products/pixantrone-maleate.html

>  <CAS Number> (1,332)
144675-97-8

$$$$
S5070 Mupirocin calcium.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,333)
1333

>  <Formula> (1,333)
C52H90CaO20

>  <MolWeight> (1,333)
1075.337

>  <Item Name> (1,333)
Mupirocin calcium

>  <Catalog Number> (1,333)
S5070

>  <Synonyms> (1,333)
pseudomonic acid A

>  <Target> (1,333)
Anti-infection

>  <Form> (1,333)
calcium salt dihydrate

>  <URL> (1,333)
http://selleckchem.com/products/mupirocin-calcium.html

>  <CAS Number> (1,333)
115074-43-6

$$$$
S5076 Xipamide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,334)
1334

>  <Formula> (1,334)
C15H15ClN2O4S

>  <MolWeight> (1,334)
354.8086

>  <Item Name> (1,334)
Xipamide

>  <Catalog Number> (1,334)
S5076

>  <Synonyms> (1,334)
N/A

>  <Target> (1,334)
Others

>  <Form> (1,334)
free base

>  <URL> (1,334)
http://selleckchem.com/products/xipamide.html

>  <CAS Number> (1,334)
14293-44-8

$$$$
S5083 Lentinan.cdx
csChFnd80/10101813242D

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A   80
n
A   81
n
M  END
>  <Mol_ID> (1,335)
1335

>  <Formula> (1,335)
C42H70O35R2

>  <MolWeight> (1,335)
1134.9842

>  <Item Name> (1,335)
Lentinan

>  <Catalog Number> (1,335)
S5083

>  <Synonyms> (1,335)
A823605, Bromoduline

>  <Target> (1,335)
Immunology & Inflammation related

>  <URL> (1,335)
http://selleckchem.com/products/lentinan.html

>  <CAS Number> (1,335)
37339-90-5

$$$$
S5085 Azamethiphos.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6414    2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600    2.5441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288    2.8145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7521    1.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4170    3.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9592    0.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    2.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1520    1.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7916    4.1332    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1949    0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2486    5.4565    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0219    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5719    4.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253    5.9135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7057    6.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8377    3.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6595    7.2881    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
  5 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  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
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,336)
1336

>  <Formula> (1,336)
C9H10ClN2O5PS

>  <MolWeight> (1,336)
324.677861

>  <Item Name> (1,336)
Azamethiphos

>  <Catalog Number> (1,336)
S5085

>  <Synonyms> (1,336)
N/A

>  <Target> (1,336)
Others

>  <Form> (1,336)
free base

>  <URL> (1,336)
http://selleckchem.com/products/azamethiphos.html

>  <CAS Number> (1,336)
35575-96-3

$$$$
S5086 p-Anisaldehyde.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8879    1.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763    2.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7764    2.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0882    1.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7998    0.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1997    0.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6883    1.2191    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
    6.2878    1.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9761    2.4922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    0.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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
  4  7  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,337)
1337

>  <Formula> (1,337)
C8H8O2

>  <MolWeight> (1,337)
136.14792

>  <Item Name> (1,337)
p-Anisaldehyde

>  <Catalog Number> (1,337)
S5086

>  <Synonyms> (1,337)
4-Methoxybenzaldehyde, Anisaldehyde, Anisic aldehyde, P-Methoxybenzaldehyde, 4-Anisaldehyde

>  <Target> (1,337)
Anti-infection

>  <Form> (1,337)
free base

>  <URL> (1,337)
http://selleckchem.com/products/p-anisaldehyde.html

>  <CAS Number> (1,337)
123-11-5

$$$$
S5089 4-Isopropylbenzaldehyde.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2368    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4509    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198    2.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2368    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0159    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4502    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0253    0.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    4.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    6.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    6.9990    0.0000 H   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
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,338)
1338

>  <Formula> (1,338)
C10H12O

>  <MolWeight> (1,338)
148.20168

>  <Item Name> (1,338)
4-Isopropylbenzaldehyde

>  <Catalog Number> (1,338)
S5089

>  <Synonyms> (1,338)
Cuminaldehyde, Cuminic aldehyde, Cuminal

>  <Target> (1,338)
Others

>  <Form> (1,338)
free base

>  <URL> (1,338)
http://selleckchem.com/products/4-isopropylbenzaldehyde.html

>  <CAS Number> (1,338)
122-03-2

$$$$
S5090 4-Isopropylbenzyl Alcohol.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1625    1.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8645    2.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546    0.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    1.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2623    2.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2521    0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269    2.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9634    1.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3633    1.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9989    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
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,339)
1339

>  <Formula> (1,339)
C10H14O

>  <MolWeight> (1,339)
150.21756

>  <Item Name> (1,339)
4-Isopropylbenzyl Alcohol

>  <Catalog Number> (1,339)
S5090

>  <Synonyms> (1,339)
Cumic alcohol, Cuminyl alcohol, Cuminic alcohol

>  <Target> (1,339)
Others

>  <Form> (1,339)
free base

>  <URL> (1,339)
http://selleckchem.com/products/4-isopropylbenzyl-alcohol.html

>  <CAS Number> (1,339)
536-60-7

$$$$
S5091 Geranyl acetate.cdx
csChFnd80/10101813242D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.0624    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.0999    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
   12.1249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    2.0999    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  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 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
M  END
>  <Mol_ID> (1,340)
1340

>  <Formula> (1,340)
C12H20O2

>  <MolWeight> (1,340)
196.286

>  <Item Name> (1,340)
Geranyl acetate

>  <Catalog Number> (1,340)
S5091

>  <Synonyms> (1,340)
Geraniol acetate, Geranyl ethanoate

>  <Target> (1,340)
Others

>  <Form> (1,340)
free base

>  <URL> (1,340)
http://selleckchem.com/products/geranyl-acetate.html

>  <CAS Number> (1,340)
105-87-3

$$$$
S5094 Maduramycin Ammonium.cdx
csChFnd80/10101813242D

 72 77  0  0  0  0  0  0  0  0999 V2000
    9.7501    7.4366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9835    6.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0332    6.2604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4744    8.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0548    8.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1809    7.2858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6062    6.2604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6575    8.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6062    8.6269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6365    7.3361    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6182    9.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4018    5.0631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9180    7.4436    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6023    9.6019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8267    6.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667    8.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7595    5.0845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1689    3.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0216    6.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9095    7.3145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4866    8.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0641    6.2821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0641    3.9159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8671    7.2786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3828    9.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6303    6.2821    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7595    7.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229    3.9086    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2399    8.6051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.0286    6.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9132    5.0988    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8988    7.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8988    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3257    2.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8097   10.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5102    5.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5944    1.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1936   11.4446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.8609    6.3896    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0283    1.5496    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8701    0.3523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1936   12.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4485   10.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8609    4.9915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0869    7.0851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4485   13.5099    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.6674   11.4446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.0869    4.3388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.3059    6.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0799    8.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6674   12.8214    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4126   14.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8791   10.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3059    4.9915    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.0837    3.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0473    3.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7633   15.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5249    4.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0869   15.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9339    6.1315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1715    6.0812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3016    7.9742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 50 55  1  0  0  0  0
 50 56  1  6  0  0  0
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 61 64  1  0  0  0  0
  6  8  1  0  0  0  0
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 20 21  1  0  0  0  0
 28 31  1  0  0  0  0
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 53 58  1  0  0  0  0
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M  END
>  <Mol_ID> (1,341)
1341

>  <Formula> (1,341)
C47H83NO17

>  <MolWeight> (1,341)
934.15842

>  <Item Name> (1,341)
Maduramycin Ammonium

>  <Catalog Number> (1,341)
S5094

>  <Synonyms> (1,341)
N/A

>  <Target> (1,341)
Anti-infection

>  <URL> (1,341)
http://selleckchem.com/products/maduramycin-ammonium.html

>  <CAS Number> (1,341)
84878-61-5

$$$$
S5096 SulfadiMethoxine sodiuM.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.5220    3.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3096    3.7009    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7345    3.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096    2.4885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0096    4.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972    4.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7345    0.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9469    3.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2098    2.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3096    1.2761    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  8 12  1  0  0  0  0
  9 12  2  0  0  0  0
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M  END
>  <Mol_ID> (1,342)
1342

>  <Formula> (1,342)
C12H13N4NaO4S

>  <MolWeight> (1,342)
332.31079

>  <Item Name> (1,342)
SulfadiMethoxine sodium

>  <Catalog Number> (1,342)
S5096

>  <Synonyms> (1,342)
Sulfadimethoxydiazine sodium

>  <Target> (1,342)
Anti-infection

>  <Form> (1,342)
sodium salt

>  <URL> (1,342)
http://selleckchem.com/products/sulfadiMethoxine-sodium.html

>  <CAS Number> (1,342)
1037-50-9

$$$$
S5099 4-Aminophenylarsonic acid.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    5.5892    1.3978    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    1.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4002    1.3791    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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  1  4  1  0  0  0  0
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  8 10  2  0  0  0  0
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 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,343)
1343

>  <Formula> (1,343)
C6H8AsNO3

>  <MolWeight> (1,343)
217.05422

>  <Item Name> (1,343)
4-Aminophenylarsonic acid

>  <Catalog Number> (1,343)
S5099

>  <Synonyms> (1,343)
Arsanilic acid, p-arsanilic acid

>  <Target> (1,343)
Anti-infection

>  <Form> (1,343)
free base

>  <URL> (1,343)
http://selleckchem.com/products/4-aminophenylarsonic-acid.html

>  <CAS Number> (1,343)
98-50-0

$$$$
S5200 Diaveridine.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8587    2.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0719    2.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8587    0.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2851    2.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6535    0.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4957    2.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2851    0.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    0.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2177    2.7978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9307    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,344)
1344

>  <Formula> (1,344)
C13H16N4O2

>  <MolWeight> (1,344)
260.29174

>  <Item Name> (1,344)
Diaveridine

>  <Catalog Number> (1,344)
S5200

>  <Synonyms> (1,344)
AI3-23935, CCRIS-3784

>  <Target> (1,344)
DHFR

>  <Form> (1,344)
free base

>  <URL> (1,344)
http://selleckchem.com/products/diaveridine.html

>  <CAS Number> (1,344)
5355-16-8

$$$$
S5201 Acetylisovaleryltylosin Tartrate.cdx
csChFnd80/10101813242D

 85 87  0  0  0  0  0  0  0  0999 V2000
   13.5799   10.1507    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6447   11.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1852   10.8096    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.4137    9.1627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4238   10.1527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0615   11.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3668   11.5315    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5978   10.4475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2837    9.2103    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6977    9.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    8.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   10.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    9.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8225    9.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4946    7.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8432    8.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0783    7.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3788    8.2488    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.4319    9.8002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.6443   10.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8468    9.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,345)
1345

>  <Formula> (1,345)
C57H93NO25

>  <MolWeight> (1,345)
1192.34002

>  <Item Name> (1,345)
Acetylisovaleryltylosin Tartrate

>  <Catalog Number> (1,345)
S5201

>  <Synonyms> (1,345)
AK105039

>  <Target> (1,345)
Anti-infection

>  <Form> (1,345)
tartrate

>  <URL> (1,345)
http://selleckchem.com/products/acetylisovaleryltylosin-tartrate.html

>  <CAS Number> (1,345)
63428-13-7

$$$$
S5202 Quinocetone.cdx
csChFnd80/10101813242D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6327    4.2006    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,346)
1346

>  <Formula> (1,346)
C18H14N2O3

>  <MolWeight> (1,346)
306.31536

>  <Item Name> (1,346)
Quinocetone

>  <Catalog Number> (1,346)
S5202

>  <Synonyms> (1,346)
N/A

>  <Target> (1,346)
Anti-infection

>  <Form> (1,346)
free base

>  <URL> (1,346)
http://selleckchem.com/products/quinocetone.html

>  <CAS Number> (1,346)
81810-66-4

$$$$
S5206 Benzylpenicillin potassiuM.cdx
csChFnd80/10101813242D

 25 26  0  0  0  0  0  0  0  0999 V2000
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   10.0172    2.3289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3648    2.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3663    4.1778    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0489    4.5954    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8924    3.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4260    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3749    1.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
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 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,347)
1347

>  <Formula> (1,347)
C16H17KN2O4S

>  <MolWeight> (1,347)
372.48048

>  <Item Name> (1,347)
Benzylpenicillin potassium

>  <Catalog Number> (1,347)
S5206

>  <Synonyms> (1,347)
Penicillin G potassium

>  <Target> (1,347)
Anti-infection

>  <Form> (1,347)
potassium salt

>  <URL> (1,347)
http://selleckchem.com/products/benzylpenicillin-potassium.html

>  <CAS Number> (1,347)
113-98-4

$$$$
S5208 Ciprofloxacin hydrochloride hydrate.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0623    3.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    2.6089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    2.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4933    3.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    5.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    5.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6488    3.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5822    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9822    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4933    4.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4311    2.6089    0.0000 N   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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 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,348)
1348

>  <Formula> (1,348)
C17H21ClFN3O4

>  <MolWeight> (1,348)
385.8177432

>  <Item Name> (1,348)
Ciprofloxacin hydrochloride hydrate

>  <Catalog Number> (1,348)
S5208

>  <Synonyms> (1,348)
Ciloxan, Ceprimax, Oftacilox

>  <Target> (1,348)
Anti-infection

>  <Form> (1,348)
hydrochloride hydrate

>  <URL> (1,348)
http://selleckchem.com/products/ciprofloxacin-hydrochloride-hydrate.html

>  <CAS Number> (1,348)
86393-32-0

$$$$
S5211 4-Aminosalicylic acid.cdx
csChFnd80/10101813242D

 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
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  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
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 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,349)
1349

>  <Formula> (1,349)
C7H7NO3

>  <MolWeight> (1,349)
153.13538

>  <Item Name> (1,349)
4-Aminosalicylic acid

>  <Catalog Number> (1,349)
S5211

>  <Synonyms> (1,349)
para-aminosalicylic acid, Aminosalicylic acid, 4-aminosalicylate

>  <Target> (1,349)
Anti-infection

>  <Form> (1,349)
free base

>  <URL> (1,349)
http://selleckchem.com/products/4-aminosalicylic-acid.html

>  <CAS Number> (1,349)
65-49-6

$$$$
S5212 Imidazolidinyl Urea.cdx
csChFnd80/10101813242D

 27 28  0  0  0  0  0  0  0  0999 V2000
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Anti-infection

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free base

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39236-46-9

$$$$
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csChFnd80/10101813242D

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1334298-90-6

$$$$
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$$$$
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csChFnd80/10101813242D

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2095432-55-4

$$$$
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Wnt/beta-catenin

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csChFnd80/10101813242D

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free base

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http://selleckchem.com/products/valpromide.html

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2430-27-5

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csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,356)
1356

>  <Formula> (1,356)
C63H91CoN13O14P

>  <MolWeight> (1,356)
1344.382301

>  <Item Name> (1,356)
Methylcobalamin

>  <Catalog Number> (1,356)
S4994

>  <Synonyms> (1,356)
Mecobalamin, Vancomin, Methycobal, Cobametin

>  <Target> (1,356)
Vitamin

>  <Form> (1,356)
inner salt

>  <URL> (1,356)
http://selleckchem.com/products/methylcobalamin.html

>  <CAS Number> (1,356)
13422-55-4

$$$$
S5039 Actarit.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,357)
1357

>  <Formula> (1,357)
C10H11NO3

>  <MolWeight> (1,357)
193.19924

>  <Item Name> (1,357)
Actarit

>  <Catalog Number> (1,357)
S5039

>  <Synonyms> (1,357)
4-acetylaminophenylacetic acid

>  <Target> (1,357)
Immunology & Inflammation related

>  <Form> (1,357)
free base

>  <URL> (1,357)
http://selleckchem.com/products/actarit.html

>  <CAS Number> (1,357)
18699-02-0

$$$$
S5043 Benorylate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,358)
1358

>  <Formula> (1,358)
C17H15NO5

>  <MolWeight> (1,358)
313.3047

>  <Item Name> (1,358)
Benorylate
Benorylate

>  <Catalog Number> (1,358)
S5043

>  <Synonyms> (1,358)
Benorilate, Benoral, Benortan

>  <Target> (1,358)
Immunology & Inflammation related

>  <Form> (1,358)
free base

>  <URL> (1,358)
http://selleckchem.com/products/benorylate.html

>  <CAS Number> (1,358)
5003-48-5

$$$$
S5045 Nomilin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,359)
1359

>  <Formula> (1,359)
C28H34O9

>  <MolWeight> (1,359)
514.56416

>  <Item Name> (1,359)
Nomilin

>  <Catalog Number> (1,359)
S5045

>  <Synonyms> (1,359)
N/A

>  <Target> (1,359)
Others

>  <Form> (1,359)
free base

>  <URL> (1,359)
http://selleckchem.com/products/nomilin.html

>  <CAS Number> (1,359)
1063-77-0

$$$$
S5052 Granisetron.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,360)
1360

>  <Formula> (1,360)
C18H24N4O

>  <MolWeight> (1,360)
312.40936

>  <Item Name> (1,360)
Granisetron

>  <Catalog Number> (1,360)
S5052

>  <Synonyms> (1,360)
Sancuso, Kevatril, Granisetronum, Sustol

>  <Target> (1,360)
5-HT Receptor

>  <URL> (1,360)
http://selleckchem.com/products/granisetron.html

>  <CAS Number> (1,360)
109889-09-0

$$$$
S5058 Revaprazan Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,361)
1361

>  <Formula> (1,361)
C22H24ClFN4

>  <MolWeight> (1,361)
398.9041632

>  <Item Name> (1,361)
Revaprazan Hydrochloride

>  <Catalog Number> (1,361)
S5058

>  <Synonyms> (1,361)
YH1885

>  <Target> (1,361)
Proton Pump

>  <URL> (1,361)
http://selleckchem.com/products/revaprazan-hydrochloride.html

>  <CAS Number> (1,361)
178307-42-1

$$$$
S5062 Daclatasvir Digydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,362)
1362

>  <Formula> (1,362)
C40H52Cl2N8O6

>  <MolWeight> (1,362)
811.79688

>  <Item Name> (1,362)
Daclatasvir Digydrochloride

>  <Catalog Number> (1,362)
S5062

>  <Synonyms> (1,362)
N/A

>  <Target> (1,362)
HCV Protease

>  <Form> (1,362)
dihydrochloride 

>  <URL> (1,362)
http://selleckchem.com/products/daclatasvir-digydrochloride.html

>  <CAS Number> (1,362)
1009119-65-6

$$$$
S5066 Pramipexole dihydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,363)
1363

>  <Formula> (1,363)
C10H19Cl2N3S

>  <MolWeight> (1,363)
284.24896

>  <Item Name> (1,363)
Pramipexole dihydrochloride

>  <Catalog Number> (1,363)
S5066

>  <Synonyms> (1,363)
N/A

>  <Target> (1,363)
Dopamine Receptor

>  <Form> (1,363)
dihydrochloride 

>  <URL> (1,363)
http://selleckchem.com/products/pramipexole-dihydrochloride.html

>  <CAS Number> (1,363)
104632-25-9

$$$$
S5075 Acotiamide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,364)
1364

>  <Formula> (1,364)
C21H30N4O5S

>  <MolWeight> (1,364)
450.5517

>  <Item Name> (1,364)
Acotiamide

>  <Catalog Number> (1,364)
S5075

>  <Synonyms> (1,364)
Acofide

>  <Target> (1,364)
AChR

>  <Form> (1,364)
free base

>  <URL> (1,364)
http://selleckchem.com/products/acotiamide.html

>  <CAS Number> (1,364)
185106-16-5

$$$$
S5079 Sitagliptin.cdx
csChFnd80/10101813242D

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S5079

>  <Synonyms> (1,365)
MK-0431

>  <Target> (1,365)
DPP-4

>  <Form> (1,365)
free base

>  <URL> (1,365)
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>  <CAS Number> (1,365)
486460-32-6

$$$$
S5084 Carbazochrome.cdx
csChFnd80/10101813242D

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Carbazochrome

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Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (1,366)
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>  <Form> (1,366)
free base

>  <URL> (1,366)
http://selleckchem.com/products/carbazochrome.html

>  <CAS Number> (1,366)
69-81-8

$$$$
S5092 Febantel.cdx
csChFnd80/10101813242D

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1367

>  <Formula> (1,367)
C20H22N4O6S

>  <MolWeight> (1,367)
446.47688

>  <Item Name> (1,367)
Febantel

>  <Catalog Number> (1,367)
S5092

>  <Synonyms> (1,367)
Rintal, Combotel, Oratel, Bay Vh 5757, Negabot Plus

>  <Target> (1,367)
Anti-infection

>  <Form> (1,367)
free base

>  <URL> (1,367)
http://selleckchem.com/products/febantel.html

>  <CAS Number> (1,367)
58306-30-2

$$$$
S5093 Rafoxanide.cdx
csChFnd80/10101813242D

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>  <Formula> (1,368)
C19H11Cl2I2NO3

>  <MolWeight> (1,368)
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>  <Item Name> (1,368)
Rafoxanide

>  <Catalog Number> (1,368)
S5093

>  <Synonyms> (1,368)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (1,368)
Anti-infection

>  <Form> (1,368)
free base

>  <URL> (1,368)
http://selleckchem.com/products/rafoxanide.html

>  <CAS Number> (1,368)
22662-39-1

$$$$
S5100 Pralidoxime Iodide.cdx
csChFnd80/10101813242D

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>  <Formula> (1,369)
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2-PAM

>  <Target> (1,369)
AChR

>  <Form> (1,369)
iodide salt

>  <URL> (1,369)
http://selleckchem.com/products/pralidoxime-lodide.html

>  <CAS Number> (1,369)
94-63-3

$$$$
S5214 Imidocarb dipropionate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,370)
1370

>  <Formula> (1,370)
C25H32N6O5

>  <MolWeight> (1,370)
496.55878

>  <Item Name> (1,370)
Imidocarb dipropionate

>  <Catalog Number> (1,370)
S5214

>  <Synonyms> (1,370)
N/A

>  <Target> (1,370)
Anti-infection

>  <Form> (1,370)
dipropionate

>  <URL> (1,370)
http://selleckchem.com/products/Imidocarb-dipropionate.html

>  <CAS Number> (1,370)
55750-06-6

$$$$
S5220 D-Pantethine.cdx
csChFnd80/10101813242D

 36 35  0  0  0  0  0  0  0  0999 V2000
   26.3487    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,371)
1371

>  <Formula> (1,371)
C22H42N4O8S2

>  <MolWeight> (1,371)
554.72088

>  <Item Name> (1,371)
D-Pantethine

>  <Catalog Number> (1,371)
S5220

>  <Synonyms> (1,371)
Bis-pantethine, Pantetina, Pantomin, Pantosin

>  <Target> (1,371)
Vitamin

>  <Form> (1,371)
free base

>  <URL> (1,371)
http://selleckchem.com/products/d-pantethine.html

>  <CAS Number> (1,371)
16816-67-4

$$$$
S5236 ¦Â-Estradiol 17-Acetate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,372)
1372

>  <Formula> (1,372)
C20H26O3

>  <MolWeight> (1,372)
314.41864

>  <Item Name> (1,372)
¦Â-Estradiol 17-Acetate

>  <Catalog Number> (1,372)
S5236

>  <Synonyms> (1,372)
N/A

>  <Target> (1,372)
Others

>  <Form> (1,372)
free base

>  <URL> (1,372)
http://selleckchem.com/products/beta-estradiol-17-acetate.html

>  <CAS Number> (1,372)
1743-60-8

$$$$
S5249 Coptisine chloride.cdx
csChFnd80/10101813242D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,373)
1373

>  <Formula> (1,373)
C19H14ClNO4

>  <MolWeight> (1,373)
355.77176

>  <Item Name> (1,373)
Coptisine chloride

>  <Catalog Number> (1,373)
S5249

>  <Synonyms> (1,373)
Q-100696, NSC-119754

>  <Target> (1,373)
Others

>  <Form> (1,373)
chloride 

>  <URL> (1,373)
http://selleckchem.com/products/coptisine-chloride.html

>  <CAS Number> (1,373)
6020-18-4

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,374)
1374

>  <Formula> (1,374)
C14H11NOS

>  <MolWeight> (1,374)
241.30824

>  <Item Name> (1,374)
2-Acetylphenothiazine (ML171)

>  <Catalog Number> (1,374)
S5304

>  <Synonyms> (1,374)
2-APT

>  <Target> (1,374)
NADPH-oxidase

>  <Form> (1,374)
free base

>  <URL> (1,374)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

>  <CAS Number> (1,374)
6631-94-3

$$$$
S5305 2-Bromo-N-carbamoyl-3-methylbutanamide.cdx
csChFnd80/10101813242D

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    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  3  0  0  0  0  0  0  0  0  0
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    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   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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  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,375)
1375

>  <Formula> (1,375)
C6H11BrN2O2

>  <MolWeight> (1,375)
223.06774

>  <Item Name> (1,375)
Bromisoval

>  <Catalog Number> (1,375)
S5305

>  <Synonyms> (1,375)
bromovalerylurea, Isobromyl, Bromaral, BRN 1773255, 2-Bromo-N-carbamoyl-3-methylbutanamide

>  <Target> (1,375)
Others

>  <Form> (1,375)
free base

>  <URL> (1,375)
http://selleckchem.com/products/bromisoval.html

>  <CAS Number> (1,375)
496-67-3

$$$$
S5309 Propyphenazone.cdx
csChFnd80/10101813242D

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    4.2068    2.4611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,376)
1376

>  <Formula> (1,376)
C14H18N2O

>  <MolWeight> (1,376)
230.30552

>  <Item Name> (1,376)
Propyphenazone (4-Isopropylantipyrine)

>  <Catalog Number> (1,376)
S5309

>  <Synonyms> (1,376)
Isopropylantipyrine, Isopropyrine

>  <Target> (1,376)
Others

>  <Form> (1,376)
free base

>  <URL> (1,376)
http://selleckchem.com/products/propyphenazone.html

>  <CAS Number> (1,376)
479-92-5

$$$$
BGB-3111.cdx
csChFnd80/10101813242D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.7440    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1689    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3813    1.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5938    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8062    1.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0187    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,377)
1377

>  <Formula> (1,377)
C24H25N5O3

>  <MolWeight> (1,377)
431.487

>  <Item Name> (1,377)
Btk inhibitor 2

>  <Catalog Number> (1,377)
S8542

>  <Synonyms> (1,377)
N/A

>  <Target> (1,377)
BTK

>  <Form> (1,377)
free base

>  <URL> (1,377)
http://selleckchem.com/products/btk-inhibitor-2.html

>  <CAS Number> (1,377)
1558036-85-3

$$$$
kira6.cdx
csChFnd80/10101813242D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,378)
1378

>  <Formula> (1,378)
C28H25F3N6O

>  <MolWeight> (1,378)
518.5329096

>  <Item Name> (1,378)
kira6

>  <Catalog Number> (1,378)
S8658

>  <Synonyms> (1,378)
N/A

>  <Target> (1,378)
Others

>  <URL> (1,378)
http://selleckchem.com/products/kira6.html

>  <CAS Number> (1,378)
1589527-65-0

$$$$
S4827 Manganese chloride.cdx
csChFnd80/10101813242D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 Mn  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
M  END
>  <Mol_ID> (1,379)
1379

>  <Formula> (1,379)
Cl2Mn

>  <MolWeight> (1,379)
125.844049

>  <Item Name> (1,379)
Manganese chloride

>  <Catalog Number> (1,379)
S4827

>  <Synonyms> (1,379)
N/A

>  <Target> (1,379)
Others

>  <Form> (1,379)
free base

>  <URL> (1,379)
http://selleckchem.com/products/manganese-chloride.html

>  <CAS Number> (1,379)
7773-01-5

$$$$
S4851 Tafluprost.cdx
csChFnd80/10101813242D

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    0.0000    2.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7984    1.8764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,380)
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>  <Formula> (1,380)
C25H34F2O5

>  <MolWeight> (1,380)
452.5312664

>  <Item Name> (1,380)
Tafluprost

>  <Catalog Number> (1,380)
S4851

>  <Synonyms> (1,380)
AFP-168

>  <Target> (1,380)
Others

>  <URL> (1,380)
http://selleckchem.com/products/tafluprost.html

>  <CAS Number> (1,380)
209860-87-7

$$$$
S5006 Teprenone.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,381)
1381

>  <Formula> (1,381)
C23H38O

>  <MolWeight> (1,381)
330.54722

>  <Item Name> (1,381)
Teprenone

>  <Catalog Number> (1,381)
S5006

>  <Synonyms> (1,381)
geranylgeranylacetone, Tetraprenylacetone

>  <Target> (1,381)
Others

>  <URL> (1,381)
http://selleckchem.com/products/teprenone.html

>  <CAS Number> (1,381)
6809-52-5

$$$$
S5012 Octenidine Dihydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,382)
1382

>  <Formula> (1,382)
C36H64Cl2N4

>  <MolWeight> (1,382)
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>  <Item Name> (1,382)
Octenidine Dihydrochloride

>  <Catalog Number> (1,382)
S5012

>  <Synonyms> (1,382)
N/A

>  <Target> (1,382)
Anti-infection

>  <URL> (1,382)
http://selleckchem.com/products/octenidine-ihydrochloride.html

>  <CAS Number> (1,382)
70775-75-6

$$$$
S5013 Ioversol.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,383)
1383

>  <Formula> (1,383)
C18H24I3N3O9

>  <MolWeight> (1,383)
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>  <Item Name> (1,383)
Ioversol

>  <Catalog Number> (1,383)
S5013

>  <Synonyms> (1,383)
N/A

>  <Target> (1,383)
Others

>  <URL> (1,383)
http://selleckchem.com/products/lversol.html

>  <CAS Number> (1,383)
87771-40-2

$$$$
S5014 Crisaborole (AN2728).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,384)
1384

>  <Formula> (1,384)
C14H10BNO3

>  <MolWeight> (1,384)
251.0451

>  <Item Name> (1,384)
Crisaborole (AN2728)

>  <Catalog Number> (1,384)
S5014

>  <Synonyms> (1,384)
N/A

>  <Target> (1,384)
PDE

>  <Form> (1,384)
free base

>  <URL> (1,384)
http://selleckchem.com/products/crisaborole-an2728.html

>  <CAS Number> (1,384)
906673-24-3

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,385)
1385

>  <Formula> (1,385)
C18H13BrN2O4S2

>  <MolWeight> (1,385)
465.34082

>  <Item Name> (1,385)
Skp2 inhibitor C1 (SKPin C1)

>  <Catalog Number> (1,385)
S8652

>  <Synonyms> (1,385)
N/A

>  <Target> (1,385)
CDK

>  <URL> (1,385)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

>  <CAS Number> (1,385)
432001-69-9

$$$$
DIPRIVAN (propofol).cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
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  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,386)
1386

>  <Formula> (1,386)
C12H18O

>  <MolWeight> (1,386)
178.27072

>  <Item Name> (1,386)
Propofol

>  <Catalog Number> (1,386)
S2023

>  <Synonyms> (1,386)
N/A

>  <Target> (1,386)
GABA Receptor

>  <URL> (1,386)
http://selleckchem.com/products/propofol-diprivan.html

>  <CAS Number> (1,386)
2078-54-8

$$$$
S4862 Squalene.cdx
csChFnd80/10101813242D

 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
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    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
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M  END
>  <Mol_ID> (1,387)
1387

>  <Formula> (1,387)
C30H50

>  <MolWeight> (1,387)
410.718

>  <Item Name> (1,387)
Squalene

>  <Catalog Number> (1,387)
S4862

>  <Synonyms> (1,387)
Spinacene, Supraene, trans-Squalene

>  <Target> (1,387)
Others

>  <Form> (1,387)
free base

>  <URL> (1,387)
http://selleckchem.com/products/squalene.html

>  <CAS Number> (1,387)
 111-02-4

$$$$
S4940 Maltol.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
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    3.6363    2.7806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0220    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,388)
1388

>  <Formula> (1,388)
C6H6O3

>  <MolWeight> (1,388)
126.11004

>  <Item Name> (1,388)
Maltol

>  <Catalog Number> (1,388)
S4940

>  <Synonyms> (1,388)
Larixinic acid, Palatone, Veltol

>  <Target> (1,388)
Others

>  <URL> (1,388)
http://selleckchem.com/products/maltol.html

>  <CAS Number> (1,388)
118-71-8

$$$$
S4941 Farnesol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,389)
1389

>  <Formula> (1,389)
C15H26O

>  <MolWeight> (1,389)
222.36634

>  <Item Name> (1,389)
Farnesol

>  <Catalog Number> (1,389)
S4941

>  <Synonyms> (1,389)
N/A

>  <Target> (1,389)
Others

>  <Form> (1,389)
free base

>  <URL> (1,389)
http://selleckchem.com/products/farnesol.html

>  <CAS Number> (1,389)
4602-84-0

$$$$
S4943 Isovanillin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,390)
1390

>  <Formula> (1,390)
C8H8O3

>  <MolWeight> (1,390)
152.14732

>  <Item Name> (1,390)
Isovanillin

>  <Catalog Number> (1,390)
s4943

>  <Synonyms> (1,390)
5-Formylguaiacol, 3-Hydroxy-p-anisaldehyde, 3-Hydroxy-4-methoxybenzaldehyde

>  <Target> (1,390)
Others

>  <Form> (1,390)
free base

>  <URL> (1,390)
http://selleckchem.com/products/lsovanillin.html

>  <CAS Number> (1,390)
621-59-0

$$$$
S4949 Nonanoic acid.cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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
    0.0000    0.0000    0.0000 O   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
   10.9119    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  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,391)
1391

>  <Formula> (1,391)
C9H18O2

>  <MolWeight> (1,391)
158.23802

>  <Item Name> (1,391)
Nonanoic acid

>  <Catalog Number> (1,391)
s4949

>  <Synonyms> (1,391)
pelargonic acid, Nonoic acid

>  <Target> (1,391)
Others

>  <Form> (1,391)
free base

>  <URL> (1,391)
http://selleckchem.com/products/nonanoic-acid.html

>  <CAS Number> (1,391)
112-05-0

$$$$
S4952 Fumaric acid.cdx
csChFnd80/10101813242D

  8  7  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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   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    1.4000    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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,392)
1392

>  <Formula> (1,392)
C4H4O4

>  <MolWeight> (1,392)
116.07216

>  <Item Name> (1,392)
Fumaric acid

>  <Catalog Number> (1,392)
S4952

>  <Synonyms> (1,392)
2-Butenedioic acid, Trans-Butenedioic acid, Allomaleic acid, Boletic acid, Donitic acid, Lichenic aci

>  <Target> (1,392)
Others

>  <Form> (1,392)
free base

>  <URL> (1,392)
http://selleckchem.com/products/fumaric-acid.html

>  <CAS Number> (1,392)
110-17-8

$$$$
S4953 Usnic acid.cdx
csChFnd80/10101813242D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0222    2.1098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6216    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6633    0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4264    2.1163    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2721    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    0.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4214    3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6445    1.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    3.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    5.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6395    4.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6445    0.0130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    6.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 15  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 17  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,393)
1393

>  <Formula> (1,393)
C18H16O7

>  <MolWeight> (1,393)
344.31544

>  <Item Name> (1,393)
Usnic acid

>  <Catalog Number> (1,393)
S4953

>  <Synonyms> (1,393)
Usniacin

>  <Target> (1,393)
Others

>  <Form> (1,393)
free base

>  <URL> (1,393)
http://selleckchem.com/products/usnic-acid.html

>  <CAS Number> (1,393)
125-46-2

$$$$
S4957 Linalool.cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  3  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
    6.7622    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   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
    8.1622    2.6124    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    1.4000    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
  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  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,394)
1394

>  <Formula> (1,394)
C10H18O

>  <MolWeight> (1,394)
154.24932

>  <Item Name> (1,394)
Linalool

>  <Catalog Number> (1,394)
S4957

>  <Synonyms> (1,394)
Phantol

>  <Target> (1,394)
NMDAR

>  <Form> (1,394)
free base

>  <URL> (1,394)
http://selleckchem.com/products/linalool.html

>  <CAS Number> (1,394)
78-70-6

$$$$
S4960 Jasmone.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2544    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6544    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  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
M  END
>  <Mol_ID> (1,395)
1395

>  <Formula> (1,395)
C11H16O

>  <MolWeight> (1,395)
164.24414

>  <Item Name> (1,395)
Jasmone

>  <Catalog Number> (1,395)
S4960

>  <Synonyms> (1,395)
N/A

>  <Target> (1,395)
Others

>  <URL> (1,395)
http://selleckchem.com/products/jasmone.html

>  <CAS Number> (1,395)
488-10-8

$$$$
S4969 Tropine.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.6508    2.7667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1302    4.0598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9156    2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3367    1.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1302    1.4029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8644    5.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4328    1.3355    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3418    0.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8038    0.7723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6782    3.8827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2576    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  6  0  0  0
  2  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
  5  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  1  0  0  0
  7 10  1  6  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,396)
1396

>  <Formula> (1,396)
C8H15NO

>  <MolWeight> (1,396)
141.2108

>  <Item Name> (1,396)
Tropine

>  <Catalog Number> (1,396)
S4969

>  <Synonyms> (1,396)
Pseudotropine, 3alpha-Tropanol

>  <Target> (1,396)
Others

>  <Form> (1,396)
free base

>  <URL> (1,396)
http://selleckchem.com/products/tropine.html

>  <CAS Number> (1,396)
120-29-6

$$$$
S4970 Nerol.cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   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
    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
  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
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,397)
1397

>  <Formula> (1,397)
C10H18O

>  <MolWeight> (1,397)
154.24932

>  <Item Name> (1,397)
Nerol

>  <Catalog Number> (1,397)
S4970

>  <Synonyms> (1,397)
Cis-Geraniol, Neryl alcohol

>  <Target> (1,397)
Others

>  <Form> (1,397)
free base

>  <URL> (1,397)
http://selleckchem.com/products/nerol.html

>  <CAS Number> (1,397)
106-25-2

$$$$
S5123 Dihydrocholesterol.cdx
csChFnd80/10101813242D

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.2663    3.5100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0583    2.8129    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2663    4.8923    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5766    3.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442    3.5100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0583    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5766    5.3252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0583    5.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3759    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302    2.8129    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8442    4.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0394    6.6655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6302    1.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4222    3.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3975    6.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1077    7.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    2.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3112    5.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    1.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6755    6.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5771    5.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1023    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9653    5.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0492    4.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    6.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,398)
1398

>  <Formula> (1,398)
C27H48O

>  <MolWeight> (1,398)
388.66942

>  <Item Name> (1,398)
Dihydrocholesterol

>  <Catalog Number> (1,398)
S5123

>  <Synonyms> (1,398)
Beta-Cholestanol, Zymostanol, 5alpha-Cholestanol

>  <Target> (1,398)
Others

>  <Form> (1,398)
free base

>  <URL> (1,398)
http://selleckchem.com/products/dihydrocholesterol.html

>  <CAS Number> (1,398)
80-97-7

$$$$
BMS-935177.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,399)
1399

>  <Formula> (1,399)
C31H26N4O3

>  <MolWeight> (1,399)
502.56314

>  <Item Name> (1,399)
BMS-935177

>  <Catalog Number> (1,399)
S8348

>  <Synonyms> (1,399)
N/A

>  <Target> (1,399)
BTK,Trk receptor,c-RET

>  <Form> (1,399)
free base

>  <URL> (1,399)
http://selleckchem.com/products/bms-935177.html

>  <CAS Number> (1,399)
1231889-53-4

$$$$
KPT-9274.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,400)
1400

>  <Formula> (1,400)
C35H29F3N4O3

>  <MolWeight> (1,400)
610.6249696

>  <Item Name> (1,400)
KPT-9274

>  <Catalog Number> (1,400)
S8444

>  <Synonyms> (1,400)
N/A

>  <Target> (1,400)
NAMPT,PAK

>  <Form> (1,400)
free base

>  <URL> (1,400)
http://selleckchem.com/products/kpt-9274.html

>  <CAS Number> (1,400)
1643913-93-2

$$$$
S4818 Chloral hydrate.cdx
csChFnd80/10101813242D

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    2.3846    1.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,401)
1401

>  <Formula> (1,401)
C2H3Cl3O2

>  <MolWeight> (1,401)
165.40302

>  <Item Name> (1,401)
Chloral hydrate

>  <Catalog Number> (1,401)
S4818

>  <Form> (1,401)
free base

>  <CAS Number> (1,401)
302-17-0

$$$$
>  <Mol_ID> (1,402)
1402

>  <Item Name> (1,402)
Diastase

>  <Catalog Number> (1,402)
S4820

>  <Synonyms> (1,402)
N/A

>  <Target> (1,402)
Others

>  <URL> (1,402)
http://selleckchem.com/products/diastase.html

>  <CAS Number> (1,402)
9000-92-4

$$$$
S4828 Sodium carbonate.cdx
csChFnd80/10101813242D

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  4  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,403)
1403

>  <Formula> (1,403)
CNa2O3

>  <MolWeight> (1,403)
105.98844

>  <Item Name> (1,403)
Sodium carbonate

>  <Catalog Number> (1,403)
S4828

>  <Synonyms> (1,403)
Disodium carbonate, Soda Ash, Carbonic acid disodium salt

>  <Target> (1,403)
Others

>  <URL> (1,403)
http://selleckchem.com/products/sodium-carbonate.html

>  <CAS Number> (1,403)
497-19-8

$$$$
S4841 Laurocapram.cdx
csChFnd80/10101813242D

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   12.7055    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9179    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1304    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3428    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5552    2.1730    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
  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
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  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
 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
M  END
>  <Mol_ID> (1,404)
1404

>  <Formula> (1,404)
C18H35NO

>  <MolWeight> (1,404)
281.4766

>  <Item Name> (1,404)
Laurocapram

>  <Catalog Number> (1,404)
S4841

>  <Synonyms> (1,404)
N-Dodecylcaprolactam, Azone, N-0252, N-Lauryl caprolactam, Tranzone

>  <Target> (1,404)
Others

>  <Form> (1,404)
free base

>  <URL> (1,404)
http://selleckchem.com/products/laurocapram.html

>  <CAS Number> (1,404)
59227-89-3

$$$$
S4872 Titanium tetrafluoride.cdx
csChFnd80/10101813242D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.4000    1.4000    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 F   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
M  END
>  <Mol_ID> (1,405)
1405

>  <Formula> (1,405)
F4Ti

>  <MolWeight> (1,405)
123.8606128

>  <Item Name> (1,405)
Titanium tetrafluoride

>  <Catalog Number> (1,405)
S4872

>  <Synonyms> (1,405)
N/A

>  <Target> (1,405)
Others

>  <Form> (1,405)
salt

>  <URL> (1,405)
http://selleckchem.com/products/titanium-tetrafluoride.html

>  <CAS Number> (1,405)
7783-63-3

$$$$
S4942 4-Hydroxy-3,5-dimethoxybenzyl alcohol.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4268    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295    2.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    0.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    2.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2171    2.8141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8338    2.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    4.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4223    4.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2535    0.6986    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
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,406)
1406

>  <Formula> (1,406)
C9H12O4

>  <MolWeight> (1,406)
184.18918

>  <Item Name> (1,406)
4-Hydroxy-3,5-dimethoxybenzyl alcohol

>  <Catalog Number> (1,406)
S4942

>  <Synonyms> (1,406)
Syringic alcohol, Syringyl alcohol

>  <Target> (1,406)
Anti-infection

>  <Form> (1,406)
free base

>  <URL> (1,406)
http://selleckchem.com/products/4-hydroxy-3-5-dimethoxybenzyl-alcohol.html

>  <CAS Number> (1,406)
530-56-3

$$$$
S4946 2,3-Dihydroxybenzoic acid.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 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  2  0  0  0  0
  5 11  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,407)
1407

>  <Formula> (1,407)
C7H6O4

>  <MolWeight> (1,407)
154.12014

>  <Item Name> (1,407)
2,3-Dihydroxybenzoic acid

>  <Catalog Number> (1,407)
S4946

>  <Synonyms> (1,407)
Pyrocatechuic acid, O-Pyrocatechuic acid, 2-Pyrocatechuic acid, 3-Hydroxysalicylic acid, Hypogallic a

>  <Target> (1,407)
Others

>  <Form> (1,407)
free base

>  <URL> (1,407)
http://selleckchem.com/products/2-3-dihydroxybenzoic-acid.html

>  <CAS Number> (1,407)
303-38-8

$$$$
S4958 Glycocholic acid.cdx
csChFnd80/10101813242D

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.0811    2.8345    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3052    3.5302    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8765    3.5302    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0811    1.4172    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3052    4.9474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6258    3.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655    2.8345    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8765    4.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8765    0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3372    0.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6258    5.3789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0811    5.6496    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3052    6.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4181    4.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655    1.4172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4543    3.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655    4.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0960    6.7123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0811    7.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4543    0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2497    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4616    6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1682    7.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2497    1.4172    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9062    8.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2847    8.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7420    9.9076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2122    7.5434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1205   10.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5715   11.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6503   12.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9502   11.7950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0811    4.2517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3052    2.1322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8765    2.1131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 34  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 35  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 36  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  6  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  1  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  1  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 14  1  1  0  0  0
 12 19  1  6  0  0  0
 15 20  1  0  0  0  0
 15 37  1  1  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  6  0  0  0
 20 24  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (1,408)
1408

>  <Formula> (1,408)
C26H43NO6

>  <MolWeight> (1,408)
465.62272

>  <Item Name> (1,408)
Glycocholic acid

>  <Catalog Number> (1,408)
S4958

>  <Synonyms> (1,408)
cholylglycine, Glycocholate

>  <Target> (1,408)
Others

>  <Form> (1,408)
free base

>  <URL> (1,408)
http://selleckchem.com/products/glycocholic-acid.html

>  <CAS Number> (1,408)
475-31-0

$$$$
S4959 Skatole.cdx
csChFnd80/10101813242D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4298    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7628    2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548    0.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817    1.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    3.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7043    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  2  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,409)
1409

>  <Formula> (1,409)
C9H9N

>  <MolWeight> (1,409)
131.17446

>  <Item Name> (1,409)
Skatole

>  <Catalog Number> (1,409)
S4959

>  <Synonyms> (1,409)
3-methylindole, Scatole

>  <Target> (1,409)
Anti-infection

>  <URL> (1,409)
http://selleckchem.com/products/skatole.html

>  <CAS Number> (1,409)
83-34-1

$$$$
S4961 3,4,5-Trimethoxycinnamic acid.cdx
csChFnd80/10101813242D

 17 17  0  0  0  0  0  0  0  0999 V2000
    8.4868    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  8 12  1  0  0  0  0
 14 15  1  0  0  0  0
  7 14  1  0  0  0  0
 16 17  1  0  0  0  0
  6 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,410)
1410

>  <Formula> (1,410)
C12H14O5

>  <MolWeight> (1,410)
238.23656

>  <Item Name> (1,410)
3,4,5-Trimethoxycinnamic acid

>  <Catalog Number> (1,410)
S4961

>  <Synonyms> (1,410)
N/A

>  <Target> (1,410)
Others

>  <Form> (1,410)
free base

>  <URL> (1,410)
http://selleckchem.com/products/trimethoxycinnamic-acid.html

>  <CAS Number> (1,410)
90-50-6

$$$$
S4962 Agmatine sulfate.cdx
csChFnd80/10101813242D

 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
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  1  4  2  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,411)
1411

>  <Formula> (1,411)
C5H16N4O4S

>  <MolWeight> (1,411)
228.26994

>  <Item Name> (1,411)
Agmatine sulfate

>  <Catalog Number> (1,411)
S4962

>  <Synonyms> (1,411)
N/A

>  <Target> (1,411)
NOS

>  <URL> (1,411)
http://selleckchem.com/products/agmatine-sulfate.html

>  <CAS Number> (1,411)
2482-00-0

$$$$
S4963 Purpurin.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8611    3.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674    4.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0777    4.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6572    1.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501    3.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674    5.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0777    5.5881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  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  2  0  0  0  0
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  4 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,412)
1412

>  <Formula> (1,412)
C14H8O5

>  <MolWeight> (1,412)
256.21032

>  <Item Name> (1,412)
Purpurin

>  <Catalog Number> (1,412)
S4963

>  <Synonyms> (1,412)
1,2,4-Trihydroxyanthraquinone; Hydroxylizaric acid; Verantin

>  <Target> (1,412)
Others

>  <Form> (1,412)
free base

>  <URL> (1,412)
http://selleckchem.com/products/purpurin.html

>  <CAS Number> (1,412)
81-54-9

$$$$
S4964 Lactobionic acid.cdx
csChFnd80/10101813242D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.8530    5.6290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8530    4.2290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406    6.3290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3  7  1  6  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
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  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
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  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 16 22  1  1  0  0  0
 16 20  1  0  0  0  0
 20 23  1  1  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,413)
1413

>  <Formula> (1,413)
C12H22O12

>  <MolWeight> (1,413)
358.29588

>  <Item Name> (1,413)
Lactobionic acid

>  <Catalog Number> (1,413)
S4964

>  <Synonyms> (1,413)
Galactosylgluconic acid

>  <Target> (1,413)
Others

>  <URL> (1,413)
http://selleckchem.com/products/lactobionic-acid.html

>  <CAS Number> (1,413)
96-82-2

$$$$
S4965 Helicin.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.2032    2.4017    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6032    2.4017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4873    3.6360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5123    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3031    3.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1009    3.6338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0773    1.2159    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2123    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6191    4.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,414)
1414

>  <Formula> (1,414)
C13H16O7

>  <MolWeight> (1,414)
284.26194

>  <Item Name> (1,414)
Helecin

>  <Catalog Number> (1,414)
S4965

>  <Synonyms> (1,414)
Helicin

>  <Target> (1,414)
Others

>  <Form> (1,414)
free base

>  <URL> (1,414)
http://selleckchem.com/products/helicin.html

>  <CAS Number> (1,414)
618-65-5

$$$$
S4966 4-Methylesculetin.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,415)
1415

>  <Formula> (1,415)
C10H8O4

>  <MolWeight> (1,415)
192.16812

>  <Item Name> (1,415)
4-Methylesculetin

>  <Catalog Number> (1,415)
S4966

>  <Synonyms> (1,415)
N/A

>  <Target> (1,415)
Immunology & Inflammation related

>  <Form> (1,415)
free base

>  <URL> (1,415)
http://selleckchem.com/products/methylesculetin.html

>  <CAS Number> (1,415)
529-84-0

$$$$
S4973 Iminostilbene.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,416)
1416

>  <Formula> (1,416)
C14H11N

>  <MolWeight> (1,416)
193.24384

>  <Item Name> (1,416)
Iminostilbene

>  <Catalog Number> (1,416)
S4973

>  <Synonyms> (1,416)
Dibenzazepine

>  <Target> (1,416)
Others

>  <Form> (1,416)
free base

>  <URL> (1,416)
http://selleckchem.com/products/iminostilbene.html

>  <CAS Number> (1,416)
256-96-2

$$$$
S4975 Fimasartan.cdx
csChFnd80/10101813242D

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Kanarb

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RAAS

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free base

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http://selleckchem.com/products/fimasartan.html

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247257-48-3

$$$$
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csChFnd80/10101813242D

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Efonidipine

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NZ-105

>  <Target> (1,418)
Calcium Channel

>  <Form> (1,418)
free base

>  <URL> (1,418)
http://selleckchem.com/products/efonidipine.html

>  <CAS Number> (1,418)
111011-63-3

$$$$
S5017 Oxyclozanide.cdx
csChFnd80/10101813242D

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>  <Item Name> (1,419)
Oxyclozanide

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>  <Synonyms> (1,419)
Oxiclozanidum, Zanil, Oxyclozanid, Zanilox

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Anti-infection

>  <Form> (1,419)
free base

>  <URL> (1,419)
http://selleckchem.com/products/oxyclozanide.html

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2277-92-1

$$$$
S5019 Indobufen.cdx
csChFnd80/10101813242D

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free base

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http://selleckchem.com/products/indobufen.html

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63610-08-2

$$$$
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csChFnd80/10101813242D

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   10.9989    5.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6275    2.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369    6.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460    4.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183    6.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2091    4.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8399    2.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460    6.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552    4.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0766    2.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8436    0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4664    6.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 33  2  0  0  0  0
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 29 35  2  0  0  0  0
 29 36  2  0  0  0  0
 30 31  1  0  0  0  0
 32 37  1  0  0  0  0
 32 38  2  0  0  0  0
 32 39  2  0  0  0  0
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 41 44  2  0  0  0  0
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 42 47  1  0  0  0  0
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 44 49  1  0  0  0  0
 45 50  1  0  0  0  0
 46 51  1  0  0  0  0
 47 52  2  0  0  0  0
 48 53  1  0  0  0  0
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 49 55  1  0  0  0  0
 50 55  1  0  0  0  0
 51 56  2  0  0  0  0
 52 56  1  0  0  0  0
 53 57  2  0  0  0  0
 54 58  1  0  0  0  0
 55 59  1  0  0  0  0
 57 60  1  0  0  0  0
 58 60  2  0  0  0  0
M  END
>  <Mol_ID> (1,425)
1425

>  <Formula> (1,425)
C48H48N4O6S2

>  <MolWeight> (1,425)
841.04792

>  <Item Name> (1,425)
Mebhydrolin napadisylate

>  <Catalog Number> (1,425)
S5018

>  <Synonyms> (1,425)
Diazoline, Diazolin, Incidal, Omeril

>  <Target> (1,425)
Histamine Receptor

>  <Form> (1,425)
salt

>  <URL> (1,425)
http://selleckchem.com/products/mebhydrolin-napadisylate.html

>  <CAS Number> (1,425)
6153-33-9

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/10101813242D

 32 32  0  0  0  0  0  0  0  0999 V2000
   11.0894    3.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853    3.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5365    2.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0148    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2756    2.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334    4.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4129    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9090    1.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3873    4.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9077    1.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3785    4.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4282    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8344    3.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9467    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
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  5  7  1  0  0  0  0
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  7 12  2  0  0  0  0
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  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  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
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,426)
1426

>  <Formula> (1,426)
C25H36Cl2N2O3

>  <MolWeight> (1,426)
483.47094

>  <Item Name> (1,426)
Tilorone dihydrochloride

>  <Catalog Number> (1,426)
S5020

>  <Synonyms> (1,426)
N/A

>  <Target> (1,426)
Anti-infection

>  <Form> (1,426)
dihydrochloride 

>  <URL> (1,426)
http://selleckchem.com/products/tilorone-dihydrochloride.html

>  <CAS Number> (1,426)
27591-69-1

$$$$
S5027 Mebeverine Hydrochloride.cdx
csChFnd80/10101813242D

 32 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    1.2124    5.6000    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    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    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
    0.0000    7.7000    0.0000 C   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
    0.0000    2.1000    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
   12.1244    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    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
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    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
  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
  4  7  1  0  0  0  0
  4  8  2  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
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
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 24 25  1  0  0  0  0
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 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,427)
1427

>  <Formula> (1,427)
C25H36ClNO5

>  <MolWeight> (1,427)
466.01004

>  <Item Name> (1,427)
Mebeverine Hydrochloride

>  <Catalog Number> (1,427)
S5027

>  <Synonyms> (1,427)
Duspatalin Hydrochloride, Duspatal Hydrochloride, Colofac Hydrochloride

>  <Target> (1,427)
Others

>  <Form> (1,427)
hydrochloride 

>  <URL> (1,427)
http://selleckchem.com/products/mebeverine-hydrochlo.html

>  <CAS Number> (1,427)
 2753-45-9

$$$$
S5028 Dalfampridine4-Aminopyridine.cdx
csChFnd80/10101813242D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.1993    2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    2.1127    0.0000 C   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
    1.1993    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    0.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0120    0.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    0.0000    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
  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,428)
1428

>  <Formula> (1,428)
C5H6N2

>  <MolWeight> (1,428)
94.11454

>  <Item Name> (1,428)
4-Aminopyridine

>  <Catalog Number> (1,428)
S5028

>  <Synonyms> (1,428)
fampridine, dalfampridine

>  <Target> (1,428)
Potassium Channel

>  <Form> (1,428)
free base

>  <URL> (1,428)
http://selleckchem.com/products/aminopyridine.html

>  <CAS Number> (1,428)
504-24-5

$$$$
S4972 Choline Glycerophosphate.cdx
csChFnd80/10101813242D

 16 15  0  0  0  0  0  0  0  0999 V2000
    6.0541    1.0518    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.1558    1.8806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9380    1.8872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0976    0.0097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9765    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4494    1.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    1.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5752    2.1877    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5145    2.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8738    1.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3898    3.5840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    1.6866    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.9945    2.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8582    0.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  6  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,429)
1429

>  <Formula> (1,429)
C8H20NO6P

>  <MolWeight> (1,429)
257.221261

>  <Item Name> (1,429)
Choline Glycerophosphate

>  <Catalog Number> (1,429)
S4972

>  <Synonyms> (1,429)
Glycerophosphorylcholine

>  <Target> (1,429)
Others

>  <URL> (1,429)
http://selleckchem.com/products/choline-glycerophosphate.html

>  <CAS Number> (1,429)
28319-77-9

$$$$
S4976 Sulfalene(SMPZ).cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,430)
1430

>  <Formula> (1,430)
C11H12N4O3S

>  <MolWeight> (1,430)
280.30298

>  <Item Name> (1,430)
Sulfalene(SMPZ)

>  <Catalog Number> (1,430)
S4976

>  <Synonyms> (1,430)
Butadiene sulfone, 3-Sulfolene

>  <Target> (1,430)
Others

>  <Form> (1,430)
free base

>  <URL> (1,430)
http://selleckchem.com/products/sulfalene-smpz.html

>  <CAS Number> (1,430)
152-47-6

$$$$
S4982 2,2'5',2''-Terthiophene.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,431)
1431

>  <Formula> (1,431)
C12H8S3

>  <MolWeight> (1,431)
248.38692

>  <Item Name> (1,431)
2,2':5',2''-Terthiophene

>  <Catalog Number> (1,431)
S4982

>  <Synonyms> (1,431)
N/A

>  <Target> (1,431)
Others

>  <Form> (1,431)
free base

>  <URL> (1,431)
http://selleckchem.com/products/terthiophene.html

>  <CAS Number> (1,431)
1081-34-1

$$$$
S4983 Sorbic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,432)
1432

>  <Formula> (1,432)
C6H8O2

>  <MolWeight> (1,432)
112.12652

>  <Item Name> (1,432)
Sorbic acid

>  <Catalog Number> (1,432)
S4983

>  <Synonyms> (1,432)
2,4-Hexadienoic acid

>  <Target> (1,432)
Others

>  <Form> (1,432)
free base

>  <URL> (1,432)
http://selleckchem.com/products/sorbic-acid.html

>  <CAS Number> (1,432)
110-44-1

$$$$
S5016 Isoprinosine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,433)
1433

>  <Formula> (1,433)
C52H78N10O17

>  <MolWeight> (1,433)
1115.23252

>  <Item Name> (1,433)
Isoprinosine

>  <Catalog Number> (1,433)
S5016

>  <Synonyms> (1,433)
inosine pranobex, Immunovir, Groprinosin, Delimmun

>  <Target> (1,433)
Anti-infection,Immunology & Inflammation rel

>  <Form> (1,433)
salt

>  <URL> (1,433)
http://selleckchem.com/products/isoprinosine.html

>  <CAS Number> (1,433)
36703-88-5

$$$$
S5029 Etofylline.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,434)
1434

>  <Formula> (1,434)
C9H12N4O3

>  <MolWeight> (1,434)
224.21658

>  <Item Name> (1,434)
Etofylline

>  <Catalog Number> (1,434)
S5029

>  <Synonyms> (1,434)
Aethophyllinum, Cordalin, Oxyphylline

>  <Target> (1,434)
Others

>  <URL> (1,434)
http://selleckchem.com/products/etofylline.html

>  <CAS Number> (1,434)
 519-37-9

$$$$
S5032 Mephenesin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,435)
1435

>  <Formula> (1,435)
C10H14O3

>  <MolWeight> (1,435)
182.21636

>  <Item Name> (1,435)
Mephenesin

>  <Catalog Number> (1,435)
S5032

>  <Synonyms> (1,435)
Decontractyl, Cresoxydiol, Memphenesin, Mephedan

>  <Target> (1,435)
NMDAR

>  <Form> (1,435)
free base

>  <URL> (1,435)
http://selleckchem.com/products/mephenesin.html

>  <CAS Number> (1,435)
59-47-2

$$$$
S5034 Melitracen hydrochloride.cdx
csChFnd80/10101813242D

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    2.4285    3.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,436)
1436

>  <Formula> (1,436)
C21H26ClN

>  <MolWeight> (1,436)
327.89084

>  <Item Name> (1,436)
Melitracen hydrochloride

>  <Catalog Number> (1,436)
S5034

>  <Synonyms> (1,436)
Thymeol hydrochloride

>  <Target> (1,436)
Dopamine Receptor

>  <Form> (1,436)
hydrochloride 

>  <URL> (1,436)
http://selleckchem.com/products/melitracen-hydrochloride.html

>  <CAS Number> (1,436)
10563-70-9

$$$$
S5040 Tiamulin.cdx
csChFnd80/10101813242D

 35 37  0  0  0  0  0  0  0  0999 V2000
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   11.6565    3.3202    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5514    1.3718    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.0227    3.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,437)
1437

>  <Formula> (1,437)
C28H47NO4S

>  <MolWeight> (1,437)
493.74208

>  <Item Name> (1,437)
Tiamulin

>  <Catalog Number> (1,437)
S5040

>  <Synonyms> (1,437)
N/A

>  <Target> (1,437)
Others

>  <Form> (1,437)
free base

>  <URL> (1,437)
http://selleckchem.com/products/tiamulin.html

>  <CAS Number> (1,437)
55297-95-5

$$$$
S5042 Bevantolol hydrochloride.cdx
csChFnd80/10101813242D

 26 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,438)
1438

>  <Formula> (1,438)
C20H28ClNO4

>  <MolWeight> (1,438)
381.89362

>  <Item Name> (1,438)
Bevantolol hydrochloride

>  <Catalog Number> (1,438)
S5042

>  <Synonyms> (1,438)
NC-1400 hydrochloride

>  <Target> (1,438)
Adrenergic Receptor

>  <Form> (1,438)
hydrochloride 

>  <URL> (1,438)
http://selleckchem.com/products/bevantolol-hydrochloride.html

>  <CAS Number> (1,438)
42864-78-8

$$$$
S5044 Isoxepac.cdx
csChFnd80/10101813242D

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>  <Synonyms> (1,439)
N/A

>  <Target> (1,439)
Immunology & Inflammation related

>  <Form> (1,439)
free base

>  <URL> (1,439)
http://selleckchem.com/products/isoxepac.html

>  <CAS Number> (1,439)
55453-87-7

$$$$
S5046 Clonixin.cdx
csChFnd80/10101813242D

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Clonixin

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S5046

>  <Synonyms> (1,440)
Clonixic acid

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Immunology & Inflammation related

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free base

>  <URL> (1,440)
http://selleckchem.com/products/clonixin.html

>  <CAS Number> (1,440)
 17737-65-4

$$$$
PHTPP.cdx
csChFnd80/10101813242D

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PHTPP

>  <Catalog Number> (1,441)
S8686

>  <Synonyms> (1,441)
N/A

>  <Target> (1,441)
Estrogen/progestogen Receptor

>  <Form> (1,441)
free base

>  <URL> (1,441)
http://selleckchem.com/products/phtpp.html

>  <CAS Number> (1,441)
805239-56-9

$$$$
RAF709.cdx
csChFnd80/10101813242D

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>  <Synonyms> (1,442)
N/A

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Raf

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free base

>  <URL> (1,442)
http://selleckchem.com/products/raf709.html

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1628838-42-5

$$$$
ML221.cdx
csChFnd80/10101813242D

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>  <Synonyms> (1,443)
N/A

>  <Target> (1,443)
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>  <URL> (1,443)
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877636-42-5

$$$$
S5073 Donepezil.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,444)
1444

>  <Formula> (1,444)
C24H29NO3

>  <MolWeight> (1,444)
379.49196

>  <Item Name> (1,444)
Donepezil

>  <Catalog Number> (1,444)
S5073

>  <Synonyms> (1,444)
Aricept, Donepezilo

>  <Target> (1,444)
AChR

>  <Form> (1,444)
free base

>  <URL> (1,444)
http://selleckchem.com/products/donepezil.html

>  <CAS Number> (1,444)
120014-06-4

$$$$
S5081 Ceforanide.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,445)
1445

>  <Formula> (1,445)
C20H21N7O6S2

>  <MolWeight> (1,445)
519.55404

>  <Item Name> (1,445)
Ceforanide

>  <Catalog Number> (1,445)
S5081

>  <Synonyms> (1,445)
N/A

>  <Target> (1,445)
Anti-infection

>  <Form> (1,445)
free base

>  <URL> (1,445)
http://selleckchem.com/products/ceforanide.html

>  <CAS Number> (1,445)
60925-61-3

$$$$
S5082VitaminK2.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,446)
1446

>  <Formula> (1,446)
C31H40O2

>  <MolWeight> (1,446)
444.6481

>  <Item Name> (1,446)
 Vitamin K2

>  <Catalog Number> (1,446)
S5082

>  <Synonyms> (1,446)
menaquinone

>  <Target> (1,446)
Vitamin

>  <Form> (1,446)
free base

>  <URL> (1,446)
http://selleckchem.com/products/vitamin-k2.html

>  <CAS Number> (1,446)
863-61-6

$$$$
S5088 Labetalone hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,447)
1447

>  <Formula> (1,447)
C19H23ClN2O3

>  <MolWeight> (1,447)
362.85052

>  <Item Name> (1,447)
Labetalone hydrochloride

>  <Catalog Number> (1,447)
S5088

>  <Synonyms> (1,447)
Benzoic amide

>  <Target> (1,447)
Adrenergic Receptor

>  <Form> (1,447)
hydrochloride 

>  <URL> (1,447)
http://selleckchem.com/products/labetalone-hydrochloride.html

>  <CAS Number> (1,447)
96441-14-4

$$$$
S5097 Methotrexate disodium.cdx
csChFnd80/10101813242D

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   14.5816    4.2059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0065    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2189    4.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4313    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4313    2.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6438    4.9059    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5816    7.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0065    7.0059    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.3692    4.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1567    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1567    2.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9401    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    4.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383    4.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3692    6.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5075    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5075    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2933    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6518    2.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0817    2.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    0.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4297    4.2201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  5  3  1  6  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
  3 11  2  0  0  0  0
  3 12  1  0  0  0  0
 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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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 13 20  2  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 24 33  2  0  0  0  0
 28 33  1  0  0  0  0
 27 34  1  0  0  0  0
 25 35  1  0  0  0  0
 23 30  1  0  0  0  0
 21 23  1  0  0  0  0
 17 21  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,448)
1448

>  <Formula> (1,448)
C20H20N8Na2O5

>  <MolWeight> (1,448)
498.40294

>  <Item Name> (1,448)
Methotrexate disodium

>  <Catalog Number> (1,448)
S5097

>  <Synonyms> (1,448)
N/A

>  <Target> (1,448)
DHFR,Dehydrogenase

>  <Form> (1,448)
disodium salt

>  <URL> (1,448)
http://selleckchem.com/products/methotrexate-disodium.html

>  <CAS Number> (1,448)
7413-34-5

$$$$
S5222 Coluracetam.cdx
csChFnd80/10101813242D

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.8263    2.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0454    2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6072    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    4.2709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0454    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3653    2.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6072    0.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4176    2.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366    4.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3653    0.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2060    1.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3670    0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
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  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  2  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,449)
1449

>  <Formula> (1,449)
C19H23N3O3

>  <MolWeight> (1,449)
341.40422

>  <Item Name> (1,449)
Coluracetam

>  <Catalog Number> (1,449)
S5222

>  <Synonyms> (1,449)
MKC-231, BCI-540

>  <Target> (1,449)
Others

>  <Form> (1,449)
free base

>  <URL> (1,449)
http://selleckchem.com/products/coluracetam.html

>  <CAS Number> (1,449)
135463-81-9

$$$$
S5232 Alectinib hydrochloride.cdx
csChFnd80/10101813242D

 37 41  0  0  0  0  0  0  0  0999 V2000
   13.4556    5.2894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1242    3.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4556    3.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0249    1.7452    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> (1,450)
1450

>  <Formula> (1,450)
C30H35ClN4O2

>  <MolWeight> (1,450)
519.0775

>  <Item Name> (1,450)
Alectinib hydrochloride

>  <Catalog Number> (1,450)
S5232

>  <Synonyms> (1,450)
AF802 hydrochloride

>  <Target> (1,450)
ALK

>  <Form> (1,450)
hydrochloride 

>  <URL> (1,450)
http://selleckchem.com/products/alectinib-hydrochloride.html

>  <CAS Number> (1,450)
1256589-74-8

$$$$
S5245 Raltegravir potassium.cdx
csChFnd80/10101813242D

 33 34  0  0  0  0  0  0  0  0999 V2000
   10.8839    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8869    3.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4684    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6761    1.4187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4653    3.5014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6761    4.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6201    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724    3.4866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3333    1.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    1.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2559    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929    3.7756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0963    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0994    4.2014    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   16.9412    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7323    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9494    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  1  1  0  0  0  0
 13  1  1  0  0  0  0
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 21  5  1  0  0  0  0
 18  6  2  0  0  0  0
  7 10  1  0  0  0  0
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 12  8  1  0  0  0  0
 15  9  1  0  0  0  0
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 30 11  1  0  0  0  0
 31 11  1  0  0  0  0
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 32 15  1  0  0  0  0
 22 17  1  0  0  0  0
 24 22  1  0  0  0  0
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 25 23  1  0  0  0  0
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 28 24  1  0  0  0  0
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 26 28  2  0  0  0  0
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M  END
>  <Mol_ID> (1,451)
1451

>  <Formula> (1,451)
C20H20FKN6O5

>  <MolWeight> (1,451)
482.5067032

>  <Item Name> (1,451)
Raltegravir potassium

>  <Catalog Number> (1,451)
S5245

>  <Synonyms> (1,451)
N/A

>  <Target> (1,451)
Integrase,HIV Protease

>  <Form> (1,451)
potassium salt

>  <URL> (1,451)
http://selleckchem.com/products/raltegravir-potassium.html

>  <CAS Number> (1,451)
871038-72-1

$$$$
S5302 6-Methoxy-2-naphthoic acid.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,452)
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>  <Formula> (1,452)
C12H10O3

>  <MolWeight> (1,452)
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>  <Item Name> (1,452)
6-Methoxy-2-naphthoic acid

>  <Catalog Number> (1,452)
S5302

>  <Synonyms> (1,452)
6-Methoxy-2-naphthalenecarboxylic acid

>  <Target> (1,452)
NMDAR

>  <Form> (1,452)
free base

>  <URL> (1,452)
http://selleckchem.com/products/6-methoxy-2-naphthoic-acid.html

>  <CAS Number> (1,452)
2471-70-7

$$$$
S5306 Forchlorfenuron.cdx
csChFnd80/10101813242D

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>  <Item Name> (1,453)
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>  <Catalog Number> (1,453)
S5306

>  <Synonyms> (1,453)
N/A

>  <Target> (1,453)
Others

>  <Form> (1,453)
free base

>  <URL> (1,453)
http://selleckchem.com/products/forchlorfenuron.html

>  <CAS Number> (1,453)
68157-60-8

$$$$
S5307 2'-deoxy-2'-fluoro-2'-C-methyluridine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,454)
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>  <Formula> (1,454)
C10H13FN2O5

>  <MolWeight> (1,454)
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>  <Item Name> (1,454)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Catalog Number> (1,454)
S5307

>  <Synonyms> (1,454)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Target> (1,454)
HCV Protease

>  <Form> (1,454)
free base

>  <URL> (1,454)
http://selleckchem.com/products/psi-6206-ro-2433-gs-331007.html

>  <CAS Number> (1,454)
863329-66-2

$$$$
S5403 Ombitasvir(ABT-267).cdx
csChFnd80/10101813242D

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>  <Formula> (1,455)
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>  <Item Name> (1,455)
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>  <Catalog Number> (1,455)
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>  <Synonyms> (1,455)
N/A

>  <Target> (1,455)
HCV Protease

>  <Form> (1,455)
free base

>  <URL> (1,455)
http://selleckchem.com/products/ombitasvir-abt-267.html

>  <CAS Number> (1,455)
1258226-87-7

$$$$
S5404 Paritaprevir(ABT-450).cdx
csChFnd80/10101813242D

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$$$$
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$$$$
S1151 Ibutamoren mesylate.cdx
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159752-10-0

$$$$
S3880 Schisantherin A.cdx
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   12.4674    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6315    0.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7443    1.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0087    7.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3087    8.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 30 33  2  0  0  0  0
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M  END
>  <Mol_ID> (1,459)
1459

>  <Formula> (1,459)
C30H32O9

>  <MolWeight> (1,459)
536.56968

>  <Item Name> (1,459)
Schisantherin A

>  <Catalog Number> (1,459)
S3880

>  <Synonyms> (1,459)
Gomisin C, Schisanwilsonin H, Arisanschinin K

>  <Target> (1,459)
OX Receptor

>  <Form> (1,459)
free base

>  <URL> (1,459)
http://selleckchem.com/products/schisantherin-a.html

>  <CAS Number> (1,459)
58546-56-8

$$$$
S5035 6-AMinopenicillanic acid.cdx
csChFnd80/10101813242D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.3862    2.8551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    4.2489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7221    2.4310    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9891    2.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9891    4.2489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.5412    3.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1719    1.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7648    2.9225    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
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  3  8  1  6  0  0  0
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  7 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,460)
1460

>  <Formula> (1,460)
C8H12N2O3S

>  <MolWeight> (1,460)
216.25748

>  <Item Name> (1,460)
 6-AMinopenicillanic acid

>  <Catalog Number> (1,460)
S5035

>  <Synonyms> (1,460)
N/A

>  <Target> (1,460)
Anti-infection

>  <Form> (1,460)
free base

>  <URL> (1,460)
http://selleckchem.com/products/6-aminopenicillanic-acid.html

>  <CAS Number> (1,460)
551-16-6

$$$$
S5048 Fosfomycin Disodium.cdx
csChFnd80/10101813242D

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    3.8045    1.8981    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090    1.2191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9938    3.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8744    2.8034    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7948    0.9394    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2083    1.2053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9204    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
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  2  7  1  0  0  0  0
  6  8  1  1  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,461)
1461

>  <Formula> (1,461)
C3H5Na2O4P

>  <MolWeight> (1,461)
182.022701

>  <Item Name> (1,461)
Fosfomycin Disodium

>  <Catalog Number> (1,461)
S5048

>  <Synonyms> (1,461)
Phosphonemycin Disodium

>  <Target> (1,461)
Anti-infection

>  <URL> (1,461)
http://selleckchem.com/products/fosfomycin-disodium.html

>  <CAS Number> (1,461)
26016-99-9

$$$$
S5051 Pipemidic acid.cdx
csChFnd80/10101813242D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  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  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
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  9 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,462)
1462

>  <Formula> (1,462)
C14H17N5O3

>  <MolWeight> (1,462)
303.31648

>  <Item Name> (1,462)
Pipemidic acid

>  <Catalog Number> (1,462)
S5051

>  <Synonyms> (1,462)
Acido pipemidico 

>  <Target> (1,462)
Anti-infection

>  <Form> (1,462)
free base

>  <URL> (1,462)
http://selleckchem.com/products/pipemidic-acid.html

>  <CAS Number> (1,462)
51940-44-4

$$$$
S5053 Imazalil.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,463)
1463

>  <Formula> (1,463)
C14H14Cl2N2O

>  <MolWeight> (1,463)
297.17976

>  <Item Name> (1,463)
Imazalil

>  <Catalog Number> (1,463)
S5053

>  <Synonyms> (1,463)
Enilconazole, chloramizole

>  <Target> (1,463)
Others

>  <Form> (1,463)
free base

>  <URL> (1,463)
http://selleckchem.com/products/imazalil.html

>  <CAS Number> (1,463)
35554-44-0

$$$$
S5056 Dinoprost tromethamine.cdx
csChFnd80/10101813242D

 33 32  0  0  0  0  0  0  0  0999 V2000
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    2.0738    2.7935    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9302    4.7497    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4231    4.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1192    1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320    6.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4231    6.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1432    1.2132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483    2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6418    6.9887    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  6  0  0  0
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M  END
>  <Mol_ID> (1,464)
1464

>  <Formula> (1,464)
C24H45NO8

>  <MolWeight> (1,464)
475.616

>  <Item Name> (1,464)
Dinoprost tromethamine

>  <Catalog Number> (1,464)
S5056

>  <Synonyms> (1,464)
Dinolytic, PGF2-alpha tham, Zinoprost, Prostin F2 alpha, Dinoprost Trometamol

>  <Target> (1,464)
Others

>  <Form> (1,464)
tromethamine

>  <URL> (1,464)
http://selleckchem.com/products/.html

>  <CAS Number> (1,464)
38562-01-5

$$$$
S4880 Cefathiamidine.cdx
csChFnd80/10101813242D

 32 33  0  0  0  0  0  0  0  0999 V2000
   10.3323    2.7736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3323    4.2759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4622    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7514    1.7836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7224    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,465)
1465

>  <Formula> (1,465)
C19H28N4O6S2

>  <MolWeight> (1,465)
472.57882

>  <Item Name> (1,465)
Cefathiamidine

>  <Catalog Number> (1,465)
S4880

>  <Synonyms> (1,465)
N/A

>  <Target> (1,465)
Anti-infection

>  <Form> (1,465)
free base

>  <URL> (1,465)
http://selleckchem.com/products/cefathiamidine.html

>  <CAS Number> (1,465)
33075-00-2

$$$$
S4889 Perospirone hydrochloride.cdx
csChFnd80/10101813242D

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   14.3852    2.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2000    3.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9853    2.2554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2165    1.1295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8985    4.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2859    1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2844    3.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,466)
1466

>  <Formula> (1,466)
C23H31ClN4O2S

>  <MolWeight> (1,466)
463.03584

>  <Item Name> (1,466)
Perospirone hydrochloride

>  <Catalog Number> (1,466)
S4889

>  <Synonyms> (1,466)
SM-9018 hydrochloride

>  <Target> (1,466)
5-HT Receptor,Dopamine Receptor

>  <Form> (1,466)
hydrochloride 

>  <URL> (1,466)
http://selleckchem.com/products/perospirone-hydrochloride.html

>  <CAS Number> (1,466)
129273-38-7

$$$$
S4890 Bifendate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,467)
1467

>  <Formula> (1,467)
C20H18O10

>  <MolWeight> (1,467)
418.35092

>  <Item Name> (1,467)
Bifendate

>  <Catalog Number> (1,467)
S4890

>  <Synonyms> (1,467)
N/A

>  <Target> (1,467)
Reverse Transcriptase

>  <Form> (1,467)
free base

>  <URL> (1,467)
http://selleckchem.com/products/bifendate.html

>  <CAS Number> (1,467)
73536-69-3

$$$$
S4999 Avermectin B1.cdx
csChFnd80/10101813242D

 65 71  0  0  0  0  0  0  0  0999 V2000
   18.7965    9.5261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,468)
1468

>  <Formula> (1,468)
C48H72O14

>  <MolWeight> (1,468)
873.07688

>  <Item Name> (1,468)
Avermectin B1

>  <Catalog Number> (1,468)
S4999

>  <Synonyms> (1,468)
abamectin

>  <Target> (1,468)
Anti-infection

>  <URL> (1,468)
http://selleckchem.com/products/avermectin.html

>  <CAS Number> (1,468)
71751-41-2

$$$$
S5060 Metadoxine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,469)
1469

>  <Formula> (1,469)
C13H18N2O6

>  <MolWeight> (1,469)
298.29182

>  <Item Name> (1,469)
 Metadoxine

>  <Catalog Number> (1,469)
S5060

>  <Synonyms> (1,469)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (1,469)
Others

>  <Form> (1,469)
salt

>  <URL> (1,469)
http://selleckchem.com/products/metadoxine.html

>  <CAS Number> (1,469)
74536-44-0

$$$$
S5223 Phenylpiracetam.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,470)
1470

>  <Formula> (1,470)
C12H14N2O2

>  <MolWeight> (1,470)
218.25176

>  <Item Name> (1,470)
Phenylpiracetam

>  <Catalog Number> (1,470)
S5223

>  <Synonyms> (1,470)
Phenotropil, Carphedon, 4-Phenylpiracetam

>  <Target> (1,470)
Others

>  <Form> (1,470)
free base

>  <URL> (1,470)
http://selleckchem.com/products/phenylpiracetam.html

>  <CAS Number> (1,470)
77472-70-9

$$$$
S5224 Adrafinil.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,471)
1471

>  <Formula> (1,471)
C15H15NO3S

>  <MolWeight> (1,471)
289.3495

>  <Item Name> (1,471)
Adrafinil

>  <Catalog Number> (1,471)
S5224

>  <Synonyms> (1,471)
benzhydrylsulfinylacetohydroxamic acid, adrafinyl, CRL-40028

>  <Target> (1,471)
Others

>  <Form> (1,471)
free base

>  <URL> (1,471)
http://selleckchem.com/products/adrafinil.html

>  <CAS Number> (1,471)
63547-13-7

$$$$
S5225 Boldenone.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,472)
1472

>  <Formula> (1,472)
C19H26O2

>  <MolWeight> (1,472)
286.40854

>  <Item Name> (1,472)
Boldenone

>  <Catalog Number> (1,472)
S5225

>  <Synonyms> (1,472)
Dehydrotestosterone

>  <Target> (1,472)
Others

>  <Form> (1,472)
free base

>  <URL> (1,472)
http://selleckchem.com/products/boldenone.html

>  <CAS Number> (1,472)
846-48-0

$$$$
S5226 L-carnosine.cdx
csChFnd80/10101813242D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.7721    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    2.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.8721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5564    2.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4288    0.2876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
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 11 15  1  0  0  0  0
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 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,473)
1473

>  <Formula> (1,473)
C9H14N4O3

>  <MolWeight> (1,473)
226.23246

>  <Item Name> (1,473)
L-carnosine

>  <Catalog Number> (1,473)
S5226

>  <Synonyms> (1,473)
Karnozin

>  <Target> (1,473)
Others

>  <Form> (1,473)
free base

>  <URL> (1,473)
http://selleckchem.com/products/l-carnosine.html

>  <CAS Number> (1,473)
305-84-0

$$$$
S5227 Erythromycin thiocyanate.cdx
csChFnd80/10101813242D

 56 57  0  0  0  0  0  0  0  0999 V2000
    7.3290    8.4505    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4260    9.8651    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.3290    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6861    3.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651   10.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260   11.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1271    4.9618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2736   10.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6689   10.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8782   10.6230    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 52  1  1  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  7  3  1  6  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  4 10  1  1  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 53  1  1  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 16 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 18  1  1  0  0  0
 13 19  1  0  0  0  0
 13 20  1  1  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  6  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  2  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  6  0  0  0
 21 30  1  6  0  0  0
 21 28  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  2  0  0  0  0
 24 33  1  0  0  0  0
 25 34  1  0  0  0  0
 26 35  1  0  0  0  0
 29 36  1  0  0  0  0
 29 37  1  0  0  0  0
 31 38  1  0  0  0  0
 31 39  1  1  0  0  0
 33 40  1  0  0  0  0
 33 41  1  1  0  0  0
 33 42  1  6  0  0  0
 34 43  1  6  0  0  0
 34 40  1  0  0  0  0
 35 44  1  0  0  0  0
 35 45  1  6  0  0  0
 38 46  1  1  0  0  0
 38 44  1  0  0  0  0
 40 47  1  1  0  0  0
 41 48  1  0  0  0  0
 44 49  1  6  0  0  0
 44 50  1  1  0  0  0
 45 51  1  0  0  0  0
 54 55  3  0  0  0  0
 54 56  1  0  0  0  0
M  END
>  <Mol_ID> (1,474)
1474

>  <Formula> (1,474)
C38H68N2O13S

>  <MolWeight> (1,474)
793.01712

>  <Item Name> (1,474)
Erythromycin thiocyanate

>  <Catalog Number> (1,474)
S5227

>  <Synonyms> (1,474)
N/A

>  <Target> (1,474)
Anti-infection

>  <Form> (1,474)
thiocyanate 

>  <URL> (1,474)
http://selleckchem.com/products/erythromycin-thiocyanate.html

>  <CAS Number> (1,474)
7704-67-8

$$$$
S5228 Minoxidil sulphate.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4062    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    5.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    6.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6186    4.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    5.4560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6171    1.2133    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4062    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    7.5728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    3.3326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9166    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8295    0.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182    8.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6185    8.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6193    9.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182    9.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4109   10.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  1  1  0  0  0  0
  8  1  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
 13  3  2  0  0  0  0
  4  6  1  0  0  0  0
  9  4  1  0  0  0  0
  6  5  2  0  0  0  0
 10  5  1  0  0  0  0
  7  8  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 18 15  1  0  0  0  0
 17 16  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,475)
1475

>  <Formula> (1,475)
C9H15N5O4S

>  <MolWeight> (1,475)
289.3115

>  <Item Name> (1,475)
Minoxidil sulphate

>  <Catalog Number> (1,475)
S5228

>  <Synonyms> (1,475)
U-58838

>  <Target> (1,475)
Others

>  <Form> (1,475)
free base

>  <URL> (1,475)
http://selleckchem.com/products/minoxidil-sulphate.html

>  <CAS Number> (1,475)
83701-22-8

$$$$
S5229 Isosorbide dinitrate.cdx
csChFnd80/10101813242D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.1387    3.3835    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1387    4.7729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.7807    2.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4204    5.2121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2540    4.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8866    1.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9293    4.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2758    1.3400    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9492    6.8536    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  1 17  1  6  0  0  0
  2  5  1  0  0  0  0
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  2 18  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5  9  1  0  0  0  0
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  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,476)
1476

>  <Formula> (1,476)
C6H8N2O8

>  <MolWeight> (1,476)
236.13632

>  <Item Name> (1,476)
Isosorbide dinitrate

>  <Catalog Number> (1,476)
S5229

>  <Synonyms> (1,476)
Sorbide nitrate, Sorbidnitrate, Isordil, Nitrosorbide

>  <Target> (1,476)
Others

>  <Form> (1,476)
free base

>  <URL> (1,476)
http://selleckchem.com/products/isosorbide-dinitrate.html

>  <CAS Number> (1,476)
87-33-2

$$$$
S5230 Elubiol.cdx
csChFnd80/10101813242D

 38 42  0  0  0  0  0  0  0  0999 V2000
   21.4456    2.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2227    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7977    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0205    2.0824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7977    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1929    2.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3704    1.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5956    2.1177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5956    3.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4177    4.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1929    3.5530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5967    4.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7590    3.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9920    4.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9920    5.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8151    6.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5967    5.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (1,477)
C27H30Cl2N4O5

>  <MolWeight> (1,477)
561.4569

>  <Item Name> (1,477)
Elubiol

>  <Catalog Number> (1,477)
S5230

>  <Synonyms> (1,477)
dichlorophenyl imidazoldioxolan

>  <Target> (1,477)
Others

>  <Form> (1,477)
free base

>  <URL> (1,477)
http://selleckchem.com/products/elubiol.html

>  <CAS Number> (1,477)
67914-69-6

$$$$
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csChFnd80/10101813242D

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>  <Mol_ID> (1,478)
1478

>  <Formula> (1,478)
C18H17F3N2O2

>  <MolWeight> (1,478)
350.3349896

>  <Item Name> (1,478)
J147

>  <Catalog Number> (1,478)
S5269

>  <Synonyms> (1,478)
N/A

>  <Target> (1,478)
Others

>  <Form> (1,478)
free base

>  <URL> (1,478)
http://selleckchem.com/products/j147.html

>  <CAS Number> (1,478)
1146963-51-0

$$$$
S5273 Canrenone.cdx
csChFnd80/10101813242D

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>  <Formula> (1,479)
C22H28O3

>  <MolWeight> (1,479)
340.45592

>  <Item Name> (1,479)
Canrenone

>  <Catalog Number> (1,479)
S5273

>  <Synonyms> (1,479)
Aldadiene, SC-9376, RP-11614, 6,7-Dehydro-7¦Á-desthioacetylspironolactone

>  <Target> (1,479)
Others

>  <Form> (1,479)
free base

>  <URL> (1,479)
http://selleckchem.com/products/canrenone.html

>  <CAS Number> (1,479)
976-71-6

$$$$
S5274 GS967.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,480)
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>  <Formula> (1,480)
C14H7F6N3O

>  <MolWeight> (1,480)
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 GS967

>  <Catalog Number> (1,480)
S5274

>  <Synonyms> (1,480)
GS458967

>  <Target> (1,480)
Sodium Channel

>  <Form> (1,480)
free base

>  <URL> (1,480)
http://selleckchem.com/products/gs967.html

>  <CAS Number> (1,480)
1262618-39-2

$$$$
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  3 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  3  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 19  1  0  0  0  0
 16 20  2  0  0  0  0
 18 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
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 21 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  3  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  6  0  0  0
M  END
>  <Mol_ID> (1,481)
1481

>  <Formula> (1,481)
C20H16ClN5O2

>  <MolWeight> (1,481)
393.82634

>  <Item Name> (1,481)
RAD140

>  <Catalog Number> (1,481)
S5275

>  <Synonyms> (1,481)
testolone

>  <Target> (1,481)
Androgen Receptor

>  <Form> (1,481)
free base

>  <URL> (1,481)
http://selleckchem.com/products/rad140.html

>  <CAS Number> (1,481)
1182367-47-0

$$$$
S5282 Lactitol monohydrate.cdx
csChFnd80/10101813242D

 24 23  0  0  0  0  0  0  0  0999 V2000
   10.9118    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  2  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
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  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
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    9.2780    0.4888    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  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 22 23  1  0  0  0  0
 13 21  1  0  0  0  0
 13  8  1  1  0  0  0
M  END
>  <Mol_ID> (1,482)
1482

>  <Formula> (1,482)
C12H26O12

>  <MolWeight> (1,482)
362.32764

>  <Item Name> (1,482)
Lactitol monohydrate

>  <Catalog Number> (1,482)
S5282

>  <Synonyms> (1,482)
N/A

>  <Target> (1,482)
Others

>  <Form> (1,482)
hydrate 

>  <URL> (1,482)
http://selleckchem.com/products/lactitol-monohydrate.html

>  <CAS Number> (1,482)
81025-04-9

$$$$
S5283 TMB-PS.cdx
csChFnd80/10101813242D

 25 26  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
    6.3127    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2929    3.6471    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
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7207    1.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6936    3.6611    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
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4104    2.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4207    0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3936    4.8736    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
    1.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8103    2.4529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5127    3.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9103    3.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6109    4.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0103    4.8829    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.4103    4.8829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0103    3.4832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0103    6.2832    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
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
 14 18  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 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,483)
1483

>  <Formula> (1,483)
C19H26N2O3S

>  <MolWeight> (1,483)
362.48634

>  <Item Name> (1,483)
TMB-PS

>  <Catalog Number> (1,483)
S5283

>  <Synonyms> (1,483)
TMBZ-PS, TetraMethyl BisPhenol S, Bis-(2,6dimethyl-4-hydroxyphenyl)-sulfone

>  <Target> (1,483)
Others

>  <Form> (1,483)
free base

>  <URL> (1,483)
http://selleckchem.com/products/tmb-ps.html

>  <CAS Number> (1,483)
102062-36-2

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10101813242D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    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
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,484)
1484

>  <Formula> (1,484)
C10H16N5O8P

>  <MolWeight> (1,484)
365.236501

>  <Item Name> (1,484)
Adenosine 5'-monophosphate monohydrate

>  <Catalog Number> (1,484)
S5284

>  <Synonyms> (1,484)
5'-Adenylic acid, 5'-AMP

>  <Target> (1,484)
AMPK

>  <Form> (1,484)
hydrate 

>  <URL> (1,484)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

>  <CAS Number> (1,484)
18422-05-4

$$$$
S5308 7-(Diethylamino)coumarin-3-carboxylic acid.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.0068    4.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0068    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2232    4.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867    4.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867    2.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2232    2.0836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4470    4.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5628    4.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5628    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4470    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6477    4.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3466    2.0836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6670    2.0836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8019    4.1442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6477    6.1815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1421    2.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3466    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1847    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
  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 10  1  0  0  0  0
  8  9  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
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,485)
1485

>  <Formula> (1,485)
C14H15NO4

>  <MolWeight> (1,485)
261.2732

>  <Item Name> (1,485)
7-(Diethylamino)coumarin-3-carboxylic acid

>  <Catalog Number> (1,485)
S5308

>  <Synonyms> (1,485)
7-DCCA

>  <Target> (1,485)
Others

>  <Form> (1,485)
free base

>  <URL> (1,485)
http://selleckchem.com/products/7-diethylamino-coumarin-3-carboxylic-acid.html

>  <CAS Number> (1,485)
50995-74-9 

$$$$
S5310 4,4'-DIMETHOXYBENZIL.cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8607    2.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0786    2.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6538    2.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2855    2.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0897    0.6712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4359    2.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316    4.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5034    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    4.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5145    0.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7103    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    4.8326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7325    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9282    2.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9393    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1573    0.0192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3641    0.7288    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  2  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
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  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
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,486)
1486

>  <Formula> (1,486)
C16H14O4

>  <MolWeight> (1,486)
270.27996

>  <Item Name> (1,486)
4,4'-DIMETHOXYBENZIL

>  <Catalog Number> (1,486)
S5310

>  <Synonyms> (1,486)
p-Anisil

>  <Target> (1,486)
Others

>  <Form> (1,486)
free base

>  <URL> (1,486)
http://selleckchem.com/products/dimethoxybenzil.html

>  <CAS Number> (1,486)
1226-42-2

$$$$
S5312  Urolithin A.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,487)
1487

>  <Formula> (1,487)
C13H8O4

>  <MolWeight> (1,487)
228.20022

>  <Catalog Number> (1,487)
S5312

>  <Synonyms> (1,487)
3,8-Dihydroxy Urolithin; 2',7-Dihydroxy-3,4-benzocoumarin

>  <Target> (1,487)
Autophagy

>  <Form> (1,487)
free base

>  <URL> (1,487)
http://selleckchem.com/products/urolithin-a.html

>  <CAS Number> (1,487)
1143-70-0

$$$$
S5315  PRT4165.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,488)
1488

>  <Formula> (1,488)
C15H9NO2

>  <MolWeight> (1,488)
235.23746

>  <Item Name> (1,488)
PRT4165

>  <Catalog Number> (1,488)
S5315

>  <Synonyms> (1,488)
N/A

>  <Target> (1,488)
E3 Ligase ,BMI-1

>  <Form> (1,488)
free base

>  <URL> (1,488)
http://selleckchem.com/products/prt4165.html

>  <CAS Number> (1,488)
31083-55-3

$$$$
S5402 Dasabuvir(ABT-333).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,489)
1489

>  <Formula> (1,489)
C26H27N3O5S

>  <MolWeight> (1,489)
493.57468

>  <Catalog Number> (1,489)
S5402

>  <Synonyms> (1,489)
N/A

>  <Target> (1,489)
HCV Protease

>  <Form> (1,489)
free base

>  <URL> (1,489)
http://selleckchem.com/products/dasabuvir-abt-333.html

>  <CAS Number> (1,489)
1132935-63-7

$$$$
S4995 Nicotinic acid N-oxide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,490)
1490

>  <Formula> (1,490)
C6H5NO3

>  <MolWeight> (1,490)
139.1088

>  <Item Name> (1,490)
Nicotinic acid N-oxide

>  <Catalog Number> (1,490)
S4995

>  <Synonyms> (1,490)
Oxiniacic acid, Nicotinic acid 1-oxide

>  <Target> (1,490)
Others

>  <Form> (1,490)
free base

>  <URL> (1,490)
http://selleckchem.com/products/nicotinic-acid-n-oxide.html

>  <CAS Number> (1,490)
2398-81-4

$$$$
S5321 Y15.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,491)
1491

>  <Formula> (1,491)
C6H14Cl4N4

>  <MolWeight> (1,491)
284.01416

>  <Item Name> (1,491)
Y15

>  <Catalog Number> (1,491)
S5321

>  <Synonyms> (1,491)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (1,491)
FAK

>  <Form> (1,491)
tetrahydrochloride 

>  <URL> (1,491)
http://selleckchem.com/products/y15.html

>  <CAS Number> (1,491)
4506-66-5

$$$$
S5324 Oxidopamine (hydrobromide).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,492)
1492

>  <Formula> (1,492)
C8H12BrNO3

>  <MolWeight> (1,492)
250.08978

>  <Item Name> (1,492)
Oxidopamine (hydrobromide)

>  <Catalog Number> (1,492)
S5324

>  <Synonyms> (1,492)
6-hydroxydopamine; 6-OHDA; 2,4,5-trihydroxyphenethylamine

>  <Target> (1,492)
Dopamine Receptor

>  <Form> (1,492)
hydrobromide 

>  <URL> (1,492)
http://selleckchem.com/products/oxidopamine-hydrobromide.html

>  <CAS Number> (1,492)
636-00-0

$$$$
S5332 Cefquinome sulfate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,493)
1493

>  <Formula> (1,493)
C23H26N6O9S3

>  <MolWeight> (1,493)
626.68234

>  <Item Name> (1,493)
Cefquinome sulfate

>  <Catalog Number> (1,493)
S5332

>  <Synonyms> (1,493)
N/A

>  <Target> (1,493)
Anti-infection

>  <URL> (1,493)
http://selleckchem.com/products/cefquinome-sulfate.html

>  <CAS Number> (1,493)
118443-89-3

$$$$
S5474 Dibenzoyl Thiamine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,494)
1494

>  <Formula> (1,494)
C26H26N4O4S

>  <MolWeight> (1,494)
490.57404

>  <Item Name> (1,494)
Dibenzoyl Thiamine

>  <Catalog Number> (1,494)
S5474

>  <Synonyms> (1,494)
Bentiamine|O,S-Dibenzoylthiamine

>  <Target> (1,494)
Vitamin

>  <Form> (1,494)
free base

>  <URL> (1,494)
http://selleckchem.com/products/dibenzoyl-thiamine.html

>  <CAS Number> (1,494)
299-88-7

$$$$
S5483 Trimethobenzamide Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,495)
1495

>  <Formula> (1,495)
C21H29ClN2O5

>  <MolWeight> (1,495)
424.91836

>  <Item Name> (1,495)
Tribenzagan Hydrochloride

>  <Catalog Number> (1,495)
S5483

>  <Synonyms> (1,495)
Tribenzagan Hydrochloride

>  <Target> (1,495)
Others

>  <Form> (1,495)
hydrochloride 

>  <URL> (1,495)
http://selleckchem.com/products/trimethobenzamide-hydrochloride.html

>  <CAS Number> (1,495)
554-92-7

$$$$
S5484 Rimantadine Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,496)
1496

>  <Formula> (1,496)
C12H22ClN

>  <MolWeight> (1,496)
215.76278

>  <Item Name> (1,496)
Rimantadine Hydrochloride

>  <Catalog Number> (1,496)
S5484

>  <Synonyms> (1,496)
N/A

>  <Target> (1,496)
DNA/RNA Synthesis

>  <Form> (1,496)
hydrochloride 

>  <URL> (1,496)
http://selleckchem.com/products/rimantadine-hydrochloride.html

>  <CAS Number> (1,496)
1501-84-4

$$$$
S5215 Abacavir.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,497)
1497

>  <Formula> (1,497)
C14H18N6O

>  <MolWeight> (1,497)
286.33232

>  <Item Name> (1,497)
Abacavir

>  <Catalog Number> (1,497)
S5215

>  <Synonyms> (1,497)
N/A

>  <Target> (1,497)
Reverse Transcriptase

>  <Form> (1,497)
free base

>  <URL> (1,497)
http://selleckchem.com/products/abacavir.html

>  <CAS Number> (1,497)
136470-78-5

$$$$
S5218 Iodixanol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,498)
1498

>  <Formula> (1,498)
C35H44I6N6O15

>  <MolWeight> (1,498)
1550.18188

>  <Item Name> (1,498)
Iodixanol

>  <Catalog Number> (1,498)
S5218

>  <Synonyms> (1,498)
N/A

>  <Target> (1,498)
Others

>  <Form> (1,498)
free base

>  <URL> (1,498)
http://selleckchem.com/products/iodixanol.html

>  <CAS Number> (1,498)
92339-11-2

$$$$
S5252 Ozagrel sodium.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,499)
1499

>  <Formula> (1,499)
C13H11N2NaO2

>  <MolWeight> (1,499)
250.22841

>  <Item Name> (1,499)
Ozagrel sodium

>  <Catalog Number> (1,499)
S5252

>  <Synonyms> (1,499)
KCT-0809, Cataclot, Xanbo 

>  <Target> (1,499)
Thrombin

>  <URL> (1,499)
http://selleckchem.com/products/ozagrel-sodium.html

>  <CAS Number> (1,499)
189224-26-8

$$$$
S5253 Cisapride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,500)
1500

>  <Formula> (1,500)
C23H29ClFN3O4

>  <MolWeight> (1,500)
465.9454632

>  <Item Name> (1,500)
Cisapride

>  <Catalog Number> (1,500)
S5253

>  <Synonyms> (1,500)
Kaudalit, Kinestase, Prepulsid, Presid, Pridesia, Propulsid

>  <Target> (1,500)
5-HT Receptor

>  <URL> (1,500)
http://selleckchem.com/products/cisapride.html

>  <CAS Number> (1,500)
81098-60-4

$$$$
S5257 Doxapram.cdx
csChFnd80/10101813242D

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1184136-10-4

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S5314

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N/A

>  <Target> (1,505)
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http://selleckchem.com/products/hthq-1-o-hexyl-2-3-5-trimethylhydroquinone.html

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148081-72-5

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O(6)-Cyclohexylmethylguanine

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CDK

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free base

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http://selleckchem.com/products/nu2058.html

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161058-83-9

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http://selleckchem.com/products/uk5099.html

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56396-35-1

$$$$
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csChFnd80/10101813242D

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Acacetin

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Linarigenin, 5,7-dihydroxy-4'-methoxyflavone, 4'-Methoxyapigenin

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Immunology & Inflammation related

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free base

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http://selleckchem.com/products/acacetin.html

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480-44-4

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N/A

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Sodium Channel

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http://selleckchem.com/products/disopyramide.html

>  <CAS Number> (1,509)
3737-09-5

$$$$
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csChFnd80/10101813242D

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P2 Receptor

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free base

>  <URL> (1,511)
http://selleckchem.com/products/a-804598.html

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 1125758-85-1

$$$$
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csChFnd80/10101813242D

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free base

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65646-68-6

$$$$
S5246 Entecavir.cdx
csChFnd80/10101813242D

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>  <Catalog Number> (1,513)
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N/A

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Reverse Transcriptase

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free base

>  <URL> (1,513)
http://selleckchem.com/products/entecavir.html

>  <CAS Number> (1,513)
142217-69-4

$$$$
S5250 Darunavir.cdx
csChFnd80/10101813242D

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 31 16  1  0  0  0  0
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M  END
>  <Mol_ID> (1,514)
1514

>  <Formula> (1,514)
C27H37N3O7S

>  <MolWeight> (1,514)
547.66358

>  <Item Name> (1,514)
Darunavir

>  <Catalog Number> (1,514)
S5250

>  <Synonyms> (1,514)
TMC114

>  <Target> (1,514)
HIV Protease

>  <Form> (1,514)
free base

>  <URL> (1,514)
http://selleckchem.com/products/darunavir.html

>  <CAS Number> (1,514)
206361-99-1

$$$$
S5261 Ufenamate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,515)
1515

>  <Formula> (1,515)
C18H18F3NO2

>  <MolWeight> (1,515)
337.3362296

>  <Item Name> (1,515)
Ufenamate

>  <Catalog Number> (1,515)
S5261

>  <Synonyms> (1,515)
Butyl flufenamate, Flufenamic acid butyl ester, fenazol

>  <Target> (1,515)
Immunology & Inflammation related

>  <Form> (1,515)
free base

>  <URL> (1,515)
http://selleckchem.com/products/ufenamate.html

>  <CAS Number> (1,515)
67330-25-0

$$$$
S5271 Suloctidil.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,516)
1516

>  <Formula> (1,516)
C20H35NOS

>  <MolWeight> (1,516)
337.563

>  <Item Name> (1,516)
Suloctidil

>  <Catalog Number> (1,516)
S5271

>  <Synonyms> (1,516)
N/A

>  <Target> (1,516)
Others

>  <Form> (1,516)
free base

>  <URL> (1,516)
http://selleckchem.com/products/suloctidil.html

>  <CAS Number> (1,516)
54767-75-8

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,517)
1517

>  <Formula> (1,517)
C23H26ClN

>  <MolWeight> (1,517)
351.91224

>  <Item Name> (1,517)
Fendiline hydrochloride

>  <Catalog Number> (1,517)
S5279

>  <Synonyms> (1,517)
N/A

>  <Target> (1,517)
Calcium Channel,Ras

>  <Form> (1,517)
hydrochloride 

>  <URL> (1,517)
http://selleckchem.com/products/fendiline-hydrochloride.html

>  <CAS Number> (1,517)
13636-18-5

$$$$
S5285 RU58841.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,518)
1518

>  <Formula> (1,518)
C17H18F3N3O3

>  <MolWeight> (1,518)
369.3383296

>  <Item Name> (1,518)
RU58841

>  <Catalog Number> (1,518)
S5285

>  <Synonyms> (1,518)
PSK3841, HMR3841

>  <Target> (1,518)
Androgen Receptor

>  <Form> (1,518)
free base

>  <URL> (1,518)
http://selleckchem.com/products/ru58841.html

>  <CAS Number> (1,518)
154992-24-2

$$$$
S5286 Ramatroban.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,519)
1519

>  <Formula> (1,519)
C21H21FN2O4S

>  <MolWeight> (1,519)
416.4658432

>  <Item Name> (1,519)
Ramatroban

>  <Catalog Number> (1,519)
S5286

>  <Synonyms> (1,519)
BAY u 3405

>  <Target> (1,519)
Thrombin

>  <Form> (1,519)
free base

>  <URL> (1,519)
http://selleckchem.com/products/ramatroban.html

>  <CAS Number> (1,519)
116649-85-5

$$$$
S5289 Ceftezole.cdx
csChFnd80/10101813242D

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  3  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,520)
1520

>  <Formula> (1,520)
C13H12N8O4S3

>  <MolWeight> (1,520)
440.48058

>  <Item Name> (1,520)
Ceftezole

>  <Catalog Number> (1,520)
S5289

>  <Synonyms> (1,520)
Celoslin, Falomesin

>  <Target> (1,520)
Anti-infection

>  <Form> (1,520)
free base

>  <URL> (1,520)
http://selleckchem.com/products/ceftezole.html

>  <CAS Number> (1,520)
26973-24-0

$$$$
S5291 Sulfisomidin.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,521)
1521

>  <Formula> (1,521)
C12H14N4O2S

>  <MolWeight> (1,521)
278.33016

>  <Item Name> (1,521)
sulfaisodimidine

>  <Catalog Number> (1,521)
S5291

>  <Synonyms> (1,521)
sulfamethin, sulfaisodimidine

>  <Target> (1,521)
Anti-infection

>  <Form> (1,521)
free base

>  <URL> (1,521)
http://selleckchem.com/products/sulfaisodimidine.html

>  <CAS Number> (1,521)
515-64-0

$$$$
S5292 Diazolidinyl urea.cdx
csChFnd80/10101813242D

 19 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,522)
1522

>  <Formula> (1,522)
C8H14N4O7

>  <MolWeight> (1,522)
278.21936

>  <Item Name> (1,522)
Diazolidinyl urea

>  <Catalog Number> (1,522)
S5292

>  <Synonyms> (1,522)
Germall II

>  <Target> (1,522)
Anti-infection

>  <Form> (1,522)
free base

>  <URL> (1,522)
http://selleckchem.com/products/diazolidinyl-urea.html

>  <CAS Number> (1,522)
78491-02-8

$$$$
S5293 Nimustine Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,523)
1523

>  <Formula> (1,523)
C9H14Cl2N6O2

>  <MolWeight> (1,523)
309.15246

>  <Item Name> (1,523)
Nimustine Hydrochloride

>  <Catalog Number> (1,523)
S5293

>  <Synonyms> (1,523)
Nidran hydrochloride

>  <Target> (1,523)
DNA/RNA Synthesis

>  <Form> (1,523)
hydrochloride

>  <URL> (1,523)
http://selleckchem.com/products/nimustine-hydrochloride.html

>  <CAS Number> (1,523)
55661-38-6

$$$$
S5294 Cephalotin acid.cdx
csChFnd80/10101813242D

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  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,524)
1524

>  <Formula> (1,524)
C16H16N2O6S2

>  <MolWeight> (1,524)
396.43804

>  <Item Name> (1,524)
Cephalotin acid

>  <Catalog Number> (1,524)
S5294

>  <Synonyms> (1,524)
N/A

>  <Target> (1,524)
Anti-infection

>  <Form> (1,524)
free base

>  <URL> (1,524)
http://selleckchem.com/products/cephalotin-acid.html

>  <CAS Number> (1,524)
153-61-7

$$$$
S5295 Lincomycin Hydrochloride Monohydrate.cdx
csChFnd80/10101813242D

 29 28  0  0  0  0  0  0  0  0999 V2000
    8.8806    4.2899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6526    4.9716    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0885    4.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8604    2.9067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4498    4.2899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6677    6.3748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2962    4.2650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0732    2.2001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6426    2.2101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823    4.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8906    7.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4649    7.0765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2811    2.8867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5290    4.9465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0431    0.8018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0595    4.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2923    6.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4990    2.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5139    6.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9341    2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416    4.9064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    2.6663    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8694    3.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258    6.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9795    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5863    1.2831    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
   16.5142    2.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5871    4.7065    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  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  6  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
  7 13  1  0  0  0  0
  7 14  1  6  0  0  0
  8 15  1  1  0  0  0
  8 13  1  0  0  0  0
 16 10  1  6  0  0  0
 10 17  2  0  0  0  0
 13 18  1  6  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  1  0  0  0
 22 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,525)
1525

>  <Formula> (1,525)
C18H37ClN2O7S

>  <MolWeight> (1,525)
461.01358

>  <Item Name> (1,525)
Lincomycin Hydrochloride Monohydrate

>  <Catalog Number> (1,525)
S5295

>  <Synonyms> (1,525)
N/A

>  <Target> (1,525)
Anti-infection

>  <Form> (1,525)
hydrochloride, hydrate

>  <URL> (1,525)
http://selleckchem.com/products/lincomycin-hydrochloride-monohydrate.html

>  <CAS Number> (1,525)
7179-49-9

$$$$
S5296 Cephradine monohydrate.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
    8.7829    2.9324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7860    4.3321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3837    2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9944    2.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3863    4.3358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0017    5.0287    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3892    1.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2078    2.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9879    0.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4010    5.3303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2120    4.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4181    2.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1982    0.1231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733    0.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0480    4.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0609    5.9708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6800    3.6263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7081    5.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4298    7.3226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393    4.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7226    6.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9853    3.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3686    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4299    5.6860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2953    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  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
  4  9  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  1  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
  3  5  1  0  0  0  0
  8 11  1  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  6  0  0  0
M  END
>  <Mol_ID> (1,526)
1526

>  <Formula> (1,526)
C16H21N3O5S

>  <MolWeight> (1,526)
367.42004

>  <Item Name> (1,526)
Cephradine monohydrate

>  <Catalog Number> (1,526)
S5296

>  <Synonyms> (1,526)
N/A

>  <Target> (1,526)
Anti-infection

>  <Form> (1,526)
hydrate 

>  <URL> (1,526)
http://selleckchem.com/products/cephradine-monohydrate.html

>  <CAS Number> (1,526)
75975-70-1

$$$$
S5297 Vidarabine monohydrate.cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.1810    6.9304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5154    7.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7396    5.6018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3610    8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5279    8.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7146    6.6489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    5.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5617    4.4758    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2016    9.1981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7369    9.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9393    7.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    3.7712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7177    3.3396    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9616    4.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9415    8.7566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7369   10.8537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735    2.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    2.0031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1880    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
  8 14  1  1  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,527)
1527

>  <Formula> (1,527)
C10H15N5O5

>  <MolWeight> (1,527)
285.2566

>  <Item Name> (1,527)
Vidarabine monohydrate

>  <Catalog Number> (1,527)
S5297

>  <Synonyms> (1,527)
Spongoadenosine monohydrate, Vira-A monohydrate

>  <Target> (1,527)
DNA/RNA Synthesis

>  <Form> (1,527)
hydrate 

>  <URL> (1,527)
http://selleckchem.com/products/vidarabine-monohydrate.html

>  <CAS Number> (1,527)
24356-66-9

$$$$
S5298 Amoxicillin trihydrate.cdx
csChFnd80/10101813242D

 29 28  0  0  0  0  0  0  0  0999 V2000
   17.2020    7.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1920    6.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7536    4.7729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5718    3.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6081    2.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6162    4.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7439    2.5076    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.4144    2.9461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1883    1.5644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0089    2.9576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0189    1.9676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6658    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6759    1.3523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0382    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3236    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9612    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6090    3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6190    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667    2.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9813    1.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3336    0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3124    3.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4205    4.3461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0258    4.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0359    5.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5626    6.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   29.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   29.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   19.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 15 21  2  0  0  0  0
 12 22  2  0  0  0  0
  3 23  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 10 24  1  0  0  0  0
 24 25  2  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,528)
1528

>  <Formula> (1,528)
C16H25N3O8S

>  <MolWeight> (1,528)
419.45

>  <Item Name> (1,528)
Amoxicillin trihydrate

>  <Catalog Number> (1,528)
S5298

>  <Synonyms> (1,528)
Amoxil trihydrate, Amoxipen trihydrate, Moxaline trihydrate 

>  <Target> (1,528)
Anti-infection

>  <Form> (1,528)
trihydrate

>  <URL> (1,528)
http://selleckchem.com/products/amoxicillin-trihydrate.html

>  <CAS Number> (1,528)
61336-70-7

$$$$
S5299 Tosufloxacin p-Toluenesulfonate Hydrate.cdx
csChFnd80/10101813242D

 41 43  0  0  0  0  0  0  0  0999 V2000
    7.2454   10.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    9.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454   11.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    9.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702   10.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579   12.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329   12.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206   10.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    7.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455    7.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702   11.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579   13.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206   11.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6079    9.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    6.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8828    8.2181    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455    6.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827   12.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6079   12.4181    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   10.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    8.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    5.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951   11.7181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827   13.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    9.1472    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0924    7.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    4.0183    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5292    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8269    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7292    1.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    2.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9169    1.3998    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9169    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9169    2.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3568    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 26 29  1  0  0  0  0
  7 12  1  0  0  0  0
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 18 23  2  0  0  0  0
 26 27  1  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
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
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 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  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 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 36 39  2  0  0  0  0
 31 36  1  0  0  0  0
 34 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,529)
1529

>  <Formula> (1,529)
C26H25F3N4O7S

>  <MolWeight> (1,529)
594.5595096

>  <Item Name> (1,529)
Tosufloxacin p-Toluenesulfonate Hydrate

>  <Catalog Number> (1,529)
S5299

>  <Synonyms> (1,529)
Tosufloxacin Tosylate Hydrate, T-3262 Tosylate Hydrate

>  <Target> (1,529)
Anti-infection

>  <Form> (1,529)
4-methylbenzenesulfonate, hy

>  <URL> (1,529)
http://selleckchem.com/products/tosufloxacin-p-toluenesulfonate-hydrate.html

>  <CAS Number> (1,529)
1400591-39-0

$$$$
S5331 Ceftezole sodium.cdx
csChFnd80/10101813242D

 30 32  0  0  0  0  0  0  0  0999 V2000
   11.9891    0.0270    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.3455    2.7981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5343    2.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7648    2.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7551    4.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5352    4.9111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3303    4.1980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9303    4.1829    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9456    2.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5343    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7376    0.0053    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.9542    2.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1758    2.8331    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.6895    2.6769    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3883    2.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5030    0.7473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8638    0.4185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5971    1.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9404    5.1728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5978    4.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2172    3.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6078    5.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2581    5.4919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1938    6.4014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3265    4.3088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7222    4.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9556    1.7928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9551    5.5468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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
  2  9  1  0  0  0  0
  2  7  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  3 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 15 19  1  0  0  0  0
 14 16  1  0  0  0  0
 13 14  1  0  0  0  0
  4 13  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 24 28  1  0  0  0  0
 23 24  1  0  0  0  0
 20 21  1  0  0  0  0
  8 20  1  1  0  0  0
  9 29  2  0  0  0  0
  7 30  1  6  0  0  0
M  END
>  <Mol_ID> (1,530)
1530

>  <Formula> (1,530)
C13H11N8NaO4S3

>  <MolWeight> (1,530)
462.46241

>  <Item Name> (1,530)
Ceftezole sodium

>  <Catalog Number> (1,530)
S5331

>  <Synonyms> (1,530)
Celoslin sodium, Falomesin sodium

>  <Target> (1,530)
Anti-infection

>  <Form> (1,530)
sodium salt 

>  <URL> (1,530)
http://selleckchem.com/products/ceftezole-sodium.html

>  <CAS Number> (1,530)
41136-22-5 

$$$$
S5333 Sulbenicillin Sodium.cdx
csChFnd80/10101813242D

 30 30  0  0  0  0  0  0  0  0999 V2000
    9.5848    2.9222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5848    4.3177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9219    2.4994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1651    2.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1651    4.3033    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9072    4.7359    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7289    3.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4177    1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1781    1.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1927    5.3290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9104    4.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9834    2.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4940    0.0488    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.8424    0.9193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8216    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8249    5.9563    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4180    3.7343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2173    7.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5627    5.5517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2401    8.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3685    5.1667    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1382    6.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218    4.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9353    8.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6325    9.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   10.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0934    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.2478    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.3642    5.7002    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
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
  2 30  1  6  0  0  0
M  END
>  <Mol_ID> (1,531)
1531

>  <Formula> (1,531)
C16H16N2Na2O7S2

>  <MolWeight> (1,531)
458.41698

>  <Item Name> (1,531)
Sulbenicillin Sodium

>  <Catalog Number> (1,531)
S5333

>  <Synonyms> (1,531)
Sulfocillin, Sulfobenzylpenicillin

>  <Target> (1,531)
Anti-infection

>  <Form> (1,531)
sodium salt

>  <URL> (1,531)
http://selleckchem.com/products/sulbenicillin-sodium.html

>  <CAS Number> (1,531)
28002-18-8 

$$$$
S5335 COREY LACTONE DIOL.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.5735    2.7919    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5735    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2083    3.2162    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9322    3.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519    0.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9043    0.9386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3997    2.0473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7561    4.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7578    2.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3825    4.8118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1576    2.0453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5735    4.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5735    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  1  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  1 13  1  6  0  0  0
  2 14  1  6  0  0  0
M  END
>  <Mol_ID> (1,532)
1532

>  <Formula> (1,532)
C8H12O4

>  <MolWeight> (1,532)
172.17848

>  <Item Name> (1,532)
Corey Lactone Diol

>  <Catalog Number> (1,532)
S5335

>  <Synonyms> (1,532)
N/A

>  <Target> (1,532)
Others

>  <Form> (1,532)
free base

>  <URL> (1,532)
http://selleckchem.com/products/corey-lactone-diol.html

>  <CAS Number> (1,532)
32233-40-2

$$$$
S5337 Rauwolscine hydrochloride.cdx
csChFnd80/10101813242D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.3195    6.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5819    5.5107    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1714    7.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0295    5.5546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7290    6.3065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7026    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8045    7.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3349    8.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1295    6.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0133    5.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6028    7.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9705    3.5568    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1075    9.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7190    6.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1506    4.3745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0748    2.1462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6969    9.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4185    3.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3371    1.5753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9552    1.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5227    2.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7630    2.6949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5227    5.2473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3173    3.9396    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 12 15  1  0  0  0  0
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 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
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 16 20  1  0  0  0  0
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 17 18  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  6  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,533)
1533

>  <Formula> (1,533)
C21H27ClN2O3

>  <MolWeight> (1,533)
390.90368

>  <Item Name> (1,533)
Rauwolscine hydrochloride

>  <Catalog Number> (1,533)
S5337

>  <Synonyms> (1,533)
Isoyohimbine hydrochloride, ¦Á-Yohimbine hydrochloride, corynanthidine hydrochloride

>  <Target> (1,533)
Adrenergic Receptor

>  <Form> (1,533)
hydrochloride 

>  <URL> (1,533)
http://selleckchem.com/products/rauwolscine-hydrochloride.html

>  <CAS Number> (1,533)
6211-32-1

$$$$
S5338 L(-)-Sorbose.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.6339    2.0975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8452    1.3959    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4205    1.3991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6357    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186    0.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2657    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0560    3.4944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4791    2.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,534)
1534

>  <Formula> (1,534)
C6H12O6

>  <MolWeight> (1,534)
180.15588

>  <Item Name> (1,534)
L(-)-Sorbose

>  <Catalog Number> (1,534)
S5338

>  <Synonyms> (1,534)
L(-)-Sorbopyranose

>  <Target> (1,534)
Others

>  <Form> (1,534)
free base

>  <URL> (1,534)
http://selleckchem.com/products/l-sorbose.html

>  <CAS Number> (1,534)
87-79-6

$$$$
S5339 4-Allylanisole.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6291    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6206    2.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459    0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    2.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0574    0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    0.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0488    2.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2596    2.8189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    2.1188    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
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  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
M  END
>  <Mol_ID> (1,535)
1535

>  <Formula> (1,535)
C10H12O

>  <MolWeight> (1,535)
148.20168

>  <Item Name> (1,535)
4-Allylanisole

>  <Catalog Number> (1,535)
S5339

>  <Synonyms> (1,535)
Estragole, p-Allylanisole, Methyl chavicol

>  <Target> (1,535)
Others

>  <Form> (1,535)
free base

>  <URL> (1,535)
http://selleckchem.com/products/4-allylanisole.html

>  <CAS Number> (1,535)
140-67-0

$$$$
S5340 3-Aminopropionitrile fumarate.cdx
csChFnd80/10101813242D

 18 15  0  0  0  0  0  0  0  0999 V2000
   10.9914    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7790    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2039    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5666    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4163    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2039    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3541    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5666    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212    4.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3996    3.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076    3.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1132    3.9912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0941    3.1723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2865    0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6944    0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9809    0.1087    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  3  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  3  0  0  0  0
M  END
>  <Mol_ID> (1,536)
1536

>  <Formula> (1,536)
C10H16N4O4

>  <MolWeight> (1,536)
256.25844

>  <Item Name> (1,536)
3-Aminopropionitrile fumarate

>  <Catalog Number> (1,536)
S5340

>  <Synonyms> (1,536)
Beta-Aminopropionitrile fumarate

>  <Target> (1,536)
Others

>  <Form> (1,536)
fumarate 

>  <URL> (1,536)
http://selleckchem.com/products/3-aminopropionitrile-fumarate.html

>  <CAS Number> (1,536)
2079-89-2

$$$$
S5342 Dihydrojasmone.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.1539    2.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3261    3.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521    1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    2.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380    4.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095    1.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8110    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2595    3.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6536    3.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3551    4.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7536    4.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  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
M  END
>  <Mol_ID> (1,537)
1537

>  <Formula> (1,537)
C11H18O

>  <MolWeight> (1,537)
166.26002

>  <Item Name> (1,537)
Dihydrojasmone

>  <Catalog Number> (1,537)
S5342

>  <Synonyms> (1,537)
N/A

>  <Target> (1,537)
Others

>  <Form> (1,537)
free base

>  <URL> (1,537)
http://selleckchem.com/products/dihydrojasmone.html

>  <CAS Number> (1,537)
1128-08-1

$$$$
S5343 Vanillic acid.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4183    2.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6243    2.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    2.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    4.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    4.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    4.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8368    4.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0337    4.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8361    6.2820    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
  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> (1,538)
1538

>  <Formula> (1,538)
C8H8O4

>  <MolWeight> (1,538)
168.14672

>  <Item Name> (1,538)
Vanillic acid

>  <Catalog Number> (1,538)
S5343

>  <Synonyms> (1,538)
4-hydroxy-3-methoxybenzoic acid

>  <Target> (1,538)
Others

>  <Form> (1,538)
free base

>  <URL> (1,538)
http://selleckchem.com/products/vanillic-acid.html

>  <CAS Number> (1,538)
121-34-6

$$$$
S5344 1,4-Diaminobutane dihydrochloride.cdx
csChFnd80/10101813242D

  8  5  0  0  0  0  0  0  0  0999 V2000
    8.6366    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8491    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2118    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0615    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9993    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.7883    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7883    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,539)
1539

>  <Formula> (1,539)
C4H14Cl2N2

>  <MolWeight> (1,539)
161.07336

>  <Item Name> (1,539)
1,4-Diaminobutane dihydrochloride

>  <Catalog Number> (1,539)
S5344

>  <Synonyms> (1,539)
Putrescine dihydrochloride; Tetramethylenediamine dihydrochloride; 1,4-Butanediamine dihydrochloride

>  <Target> (1,539)
Others

>  <Form> (1,539)
dihydrochloride 

>  <URL> (1,539)
http://selleckchem.com/products/1-4-diaminobutane-dihydrochloride.html

>  <CAS Number> (1,539)
333-93-7

$$$$
S5345 Nerolidol.cdx
csChFnd80/10101813242D

 16 15  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    3.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  1  3  1  0  0  0  0
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  2  6  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,540)
1540

>  <Formula> (1,540)
C15H26O

>  <MolWeight> (1,540)
222.36634

>  <Item Name> (1,540)
Nerolidol

>  <Catalog Number> (1,540)
S5345

>  <Synonyms> (1,540)
Peruviol

>  <Target> (1,540)
Others

>  <Form> (1,540)
free base

>  <URL> (1,540)
http://selleckchem.com/products/nerolidol.html

>  <CAS Number> (1,540)
7212-44-4

$$$$
S5346 2-Phenylethylamine hydrochloride.cdx
csChFnd80/10101813242D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.4258    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    2.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    2.8001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,541)
1541

>  <Formula> (1,541)
C8H12ClN

>  <MolWeight> (1,541)
157.64058

>  <Item Name> (1,541)
2-Phenylethylamine hydrochloride

>  <Catalog Number> (1,541)
S5346

>  <Synonyms> (1,541)
¦Â-Phenylethylamine hydrochloride, benzeneethanamine hydrochloride, ¦Â-aminoethylbenzene hydrochlorid

>  <Target> (1,541)
Others

>  <Form> (1,541)
hydrochloride 

>  <URL> (1,541)
http://selleckchem.com/products/2-phenylethylamine-hydrochloride.html

>  <CAS Number> (1,541)
156-28-5

$$$$
S5347 2-Phenylethylamine.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
    6.0454    2.7894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  2  0  0  0  0
  1  2  1  0  0  0  0
M  END
>  <Mol_ID> (1,542)
1542

>  <Formula> (1,542)
C8H11N

>  <MolWeight> (1,542)
121.17964

>  <Item Name> (1,542)
2-Phenylethylamine

>  <Catalog Number> (1,542)
S5347

>  <Synonyms> (1,542)
¦Â-Phenylethylamine, benzeneethanamine, ¦Â-aminoethylbenzene 

>  <Target> (1,542)
Others

>  <Form> (1,542)
free base

>  <URL> (1,542)
http://selleckchem.com/products/2-phenylethylamine.html

>  <CAS Number> (1,542)
64-04-0

$$$$
S5348 4-(4-Acetoxyphenyl)-2-butanone.cdx
csChFnd80/10101813242D

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.2812    3.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0507    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2812    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7062    3.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8376    2.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9188    4.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2067    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
  3  6  2  0  0  0  0
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  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
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  8 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
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,543)
1543

>  <Formula> (1,543)
C12H14O3

>  <MolWeight> (1,543)
206.23776

>  <Item Name> (1,543)
Pherocon (4-(4-Acetoxyphenyl)-2-butanone)

>  <Catalog Number> (1,543)
S5348

>  <Synonyms> (1,543)
4-(p-Acetoxyphenyl)-2-butanone, 4--(3-Oxobutyl)phenyl acetate

>  <Target> (1,543)
Others

>  <Form> (1,543)
free base

>  <URL> (1,543)
http://selleckchem.com/products/pherocon-4-4-acetoxyphenyl-2-butanone.html

>  <CAS Number> (1,543)
 3572-06-3

$$$$
S5420 Clindamycin alcoholate.cdx
csChFnd80/10101813242D

 30 29  0  0  0  0  0  0  0  0999 V2000
    8.9564    6.4295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9503    5.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1738    7.1276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3791    5.0258    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3794    6.4225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7451    7.1312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3155    7.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5336    6.4295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1617    4.3277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8331    6.9856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041    6.4295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.9519    5.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7451    8.5279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1589    2.9221    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551    4.7546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.1742    8.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6026    7.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9725    3.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3670    2.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4694    1.7434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
  6  1  1  0  0  0  0
  9  2  1  0  0  0  0
  5  3  1  0  0  0  0
  3 19  1  6  0  0  0
  4  5  1  0  0  0  0
  4 18  1  1  0  0  0
  9  4  1  0  0  0  0
  5 20  1  6  0  0  0
  6  8  1  6  0  0  0
 15  6  1  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  6  0  0  0
 13  7  2  0  0  0  0
  9 16  1  1  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 21 10  1  0  0  0  0
 14 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 15 22  1  1  0  0  0
 25 15  1  0  0  0  0
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 17 23  1  1  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
  1 29  1  1  0  0  0
M  END
>  <Mol_ID> (1,544)
1544

>  <Formula> (1,544)
C18H36Cl2N2O6S

>  <MolWeight> (1,544)
479.45924

>  <Item Name> (1,544)
Clindamycin alcoholate

>  <Catalog Number> (1,544)
S5420

>  <Synonyms> (1,544)
N/A

>  <Target> (1,544)
Anti-infection

>  <Form> (1,544)
hydrochloride, monohydrate

>  <URL> (1,544)
http://selleckchem.com/products/clindamycin-alcoholate.html

>  <CAS Number> (1,544)
58207-19-5

$$$$
S5421 Fluoroquinolonic Acid.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8876    2.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6736    3.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8876    1.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    3.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6736    4.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    2.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1859    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5893    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    4.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8876    5.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    5.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527    3.3332    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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  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 11  1  0  0  0  0
  6 12  2  0  0  0  0
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 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
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 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,545)
1545

>  <Formula> (1,545)
C13H9ClFNO3

>  <MolWeight> (1,545)
281.6668632

>  <Item Name> (1,545)
Fluoroquinolonic Acid

>  <Catalog Number> (1,545)
S5421

>  <Synonyms> (1,545)
Ciprofloxacin Impurity A, Q-Acid 

>  <Target> (1,545)
Anti-infection

>  <Form> (1,545)
free base

>  <URL> (1,545)
http://selleckchem.com/products/fluoroquinolonic-acid.html

>  <CAS Number> (1,545)
86393-33-1

$$$$
S5436 2-Hydroxycaprylic acid.cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 C   0  0  3  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
    8.4870    2.1000    0.0000 C   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
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    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    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
    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  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,546)
1546

>  <Formula> (1,546)
C8H16O3

>  <MolWeight> (1,546)
160.21084

>  <Item Name> (1,546)
2-Hydroxycaprylic acid

>  <Catalog Number> (1,546)
S5436

>  <Synonyms> (1,546)
2-hydroxyoctanoic acid

>  <Target> (1,546)
Others

>  <Form> (1,546)
free base

>  <URL> (1,546)
http://selleckchem.com/products/2-hydroxycaprylic-acid.html

>  <CAS Number> (1,546)
617-73-2

$$$$
S5443 N,O-Bis(trimethylsilyl)trifluoroacetamide.cdx
csChFnd80/10101813242D

 15 14  0  0  0  0  0  0  0  0999 V2000
    4.1954    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    2.4561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4079    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3175    4.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.8184    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    5.4079    1.4000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
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    5.7121    4.7727    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    4.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8079    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4079    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0079    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  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
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,547)
1547

>  <Formula> (1,547)
C8H18F3NOSi2

>  <MolWeight> (1,547)
257.4008296

>  <Item Name> (1,547)
BSTFA-TMCS

>  <Catalog Number> (1,547)
S5443

>  <Synonyms> (1,547)
N/A

>  <Target> (1,547)
Others

>  <Form> (1,547)
free base

>  <URL> (1,547)
http://selleckchem.com/products/bstfa-tmcs.html

>  <CAS Number> (1,547)
25561-30-2

$$$$
S5446 2-Chloro-1-(4-fluorobenzyl)benzimidazole.cdx
csChFnd80/10101813242D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4885    3.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8053    3.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4692    5.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2620    2.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2467    1.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6022    4.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    5.4813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    5.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0008    4.3561    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5517    2.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0400    0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9230    2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4112    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    1.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7436    0.7617    0.0000 F   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  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,548)
1548

>  <Formula> (1,548)
C14H10ClFN2

>  <MolWeight> (1,548)
260.6940032

>  <Item Name> (1,548)
2-Chloro-1-(4-fluorobenzyl)benzimidazole

>  <Catalog Number> (1,548)
S5446

>  <Synonyms> (1,548)
N/A

>  <Target> (1,548)
Others

>  <Form> (1,548)
free base

>  <URL> (1,548)
http://selleckchem.com/products/2-chloro-1-4-fluorobenzyl-benzimidazole.html

>  <CAS Number> (1,548)
84946-20-3

$$$$
S5447 Triprolidine hydrochloride monohydrate.cdx
csChFnd80/10101813242D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.6234    5.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    6.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    6.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    3.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8394    3.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    7.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    5.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8394    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    8.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    6.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    6.3065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    5.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4159    7.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5100    6.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7945    7.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0921    2.3496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9065    0.6818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  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  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,549)
1549

>  <Formula> (1,549)
C19H25ClN2O

>  <MolWeight> (1,549)
332.8676

>  <Item Name> (1,549)
Triprolidine Hydrochloride

>  <Catalog Number> (1,549)
S5447

>  <Synonyms> (1,549)
N/A

>  <Target> (1,549)
Histamine Receptor

>  <Form> (1,549)
hydrochloride, hydrate

>  <URL> (1,549)
http://selleckchem.com/products/triprolidine-hydrochloride.html

>  <CAS Number> (1,549)
6138-79-0

$$$$
S5449 3-Methoxybenzamide.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2184    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    2.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    4.8999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    0.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    0.7062    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
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,550)
1550

>  <Formula> (1,550)
C8H9NO2

>  <MolWeight> (1,550)
151.16256

>  <Item Name> (1,550)
3-Methoxybenzamide

>  <Catalog Number> (1,550)
S5449

>  <Synonyms> (1,550)
3-MBA

>  <Target> (1,550)
Transferase

>  <Form> (1,550)
free base

>  <URL> (1,550)
http://selleckchem.com/products/3-methoxybenzamide.html

>  <CAS Number> (1,550)
5813-86-5

$$$$
S5479 Cloperastine hydrochloride.cdx
csChFnd80/10101813242D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.6526    2.8106    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8649    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    2.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6526    4.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    2.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649    0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2313    2.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    0.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411    0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0769    7.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5117    0.0276    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2919    6.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0769    8.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295    7.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3025    9.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295    8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5455    3.3321    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  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,551)
1551

>  <Formula> (1,551)
C20H25Cl2NO

>  <MolWeight> (1,551)
366.3246

>  <Item Name> (1,551)
Cloperastine hydrochloride

>  <Catalog Number> (1,551)
S5479

>  <Synonyms> (1,551)
HT-11 hydrochloride

>  <Target> (1,551)
Histamine Receptor

>  <Form> (1,551)
hydrochloride 

>  <URL> (1,551)
http://selleckchem.com/products/cloperastine-hydrochloride.html

>  <CAS Number> (1,551)
14984-68-0

$$$$
S5481 Molindone hydrochloride.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8866    4.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8866    2.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1911    4.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    4.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1911    2.3598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0206    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292    5.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    4.1805    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6416    6.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    2.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4206    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0137    6.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2326    9.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1602    0.0000    0.0000 Cl  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
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,552)
1552

>  <Formula> (1,552)
C16H25ClN2O2

>  <MolWeight> (1,552)
312.8349

>  <Item Name> (1,552)
Molindone hydrochloride

>  <Catalog Number> (1,552)
S5481

>  <Synonyms> (1,552)
N/A

>  <Target> (1,552)
Dopamine Receptor

>  <Form> (1,552)
hydrochloride 

>  <URL> (1,552)
http://selleckchem.com/products/molindone-hydrochloride.html

>  <CAS Number> (1,552)
 15622-65-8

$$$$
S5492 Econazole.cdx
csChFnd80/10101813242D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    3.7835    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4870    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4866    1.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    0.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0023    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7023    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5832    0.0000 Cl  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
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 18  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,553)
1553

>  <Formula> (1,553)
C18H15Cl3N2O

>  <MolWeight> (1,553)
381.6835

>  <Item Name> (1,553)
Econazole

>  <Catalog Number> (1,553)
S5492

>  <Synonyms> (1,553)
N/A

>  <Target> (1,553)
Anti-infection

>  <Form> (1,553)
free base

>  <URL> (1,553)
http://selleckchem.com/products/econazole.html

>  <CAS Number> (1,553)
27220-47-9

$$$$
S5497 Iopanoic acid.cdx
csChFnd80/10101813242D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.7999    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
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  3  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
    2.4249    4.1999    0.0000 I   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
    4.8498    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    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
    0.0000    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 I   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
  3  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  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 12  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,554)
1554

>  <Formula> (1,554)
C11H12I3NO2

>  <MolWeight> (1,554)
570.93189

>  <Item Name> (1,554)
Iopanoic acid

>  <Catalog Number> (1,554)
S5497

>  <Synonyms> (1,554)
Acidum iopanoicum, Iodopanoic acid

>  <Target> (1,554)
Others

>  <Form> (1,554)
free base

>  <URL> (1,554)
http://selleckchem.com/products/iopanoic-acid.html

>  <CAS Number> (1,554)
96-83-3

$$$$
S5499 Amantadine.cdx
csChFnd80/10101813242D

 11 13  0  0  0  0  0  0  0  0999 V2000
    2.3187    3.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    1.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    2.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915    2.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3525    4.5017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797    0.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5933    1.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1050    1.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6611    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3118    0.8475    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  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
M  END
>  <Mol_ID> (1,555)
1555

>  <Formula> (1,555)
C10H17N

>  <MolWeight> (1,555)
151.24868

>  <Item Name> (1,555)
Amantadine

>  <Catalog Number> (1,555)
S5499

>  <Synonyms> (1,555)
1-Adamantanamine, 1-Adamantylamine, 1-Aminoadamantane

>  <Target> (1,555)
Anti-infection

>  <Form> (1,555)
free base

>  <URL> (1,555)
http://selleckchem.com/products/amantadine.html

>  <CAS Number> (1,555)
768-94-5

$$$$
S5508 Dehydroepiandrosterone acetate.cdx
csChFnd80/10101813242D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.6368    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    0.7076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4228    0.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    2.1016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458    0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2725    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4888    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4885    2.1062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7061    2.8087    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0535    2.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8678    3.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0208    4.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4336    6.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6956    5.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4749    4.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    4.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2797    2.8036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0635    2.1027    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0594    3.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8465    2.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2677    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4769    3.5177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  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  2  0  0  0  0
 15 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  1  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 11  1  0  0  0  0
 21 22  1  0  0  0  0
 22  8  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24  1  1  0  0  0  0
 21 25  1  6  0  0  0
  1  2  1  0  0  0  0
 11 26  1  1  0  0  0
  2  3  1  1  0  0  0
 12 27  1  6  0  0  0
M  END
>  <Mol_ID> (1,556)
1556

>  <Formula> (1,556)
C21H30O3

>  <MolWeight> (1,556)
330.4611

>  <Item Name> (1,556)
Dehydroepiandrosterone acetate

>  <Catalog Number> (1,556)
S5508

>  <Synonyms> (1,556)
DHEA acetate, androstenolone acetate

>  <Target> (1,556)
Others

>  <Form> (1,556)
free base

>  <URL> (1,556)
http://selleckchem.com/products/dehydroepiandrosterone-acetate.html

>  <CAS Number> (1,556)
853-23-6

$$$$
S5509 4-Aminophenol.cdx
csChFnd80/10101813242D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.4104    1.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    2.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5059    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5059    2.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2044    1.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6182    1.2113    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
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,557)
1557

>  <Formula> (1,557)
C6H7NO

>  <MolWeight> (1,557)
109.12588

>  <Item Name> (1,557)
4-Aminophenol

>  <Catalog Number> (1,557)
S5509

>  <Synonyms> (1,557)
p-Aminophenol, para-Aminophenol, 4-hydroxyaniline, p-hydroxyaniline

>  <Target> (1,557)
Others

>  <Form> (1,557)
free base

>  <URL> (1,557)
http://selleckchem.com/products/4-aminophenol.html

>  <CAS Number> (1,557)
123-30-8

$$$$
S5515 Penicillin G Procaine.cdx
csChFnd80/10101813242D

 42 43  0  0  0  0  0  0  0  0999 V2000
   11.7008    8.9381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292    8.4963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8599    9.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0450   10.7615    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7105   10.3381    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3140   10.3513    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2974    8.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4525    7.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5085    6.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8199    6.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3240   11.3412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9903   11.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5634    9.6529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0003   11.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6538   11.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6990   12.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3349   12.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255   11.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8803   10.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2444   10.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9068   10.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5011   11.7224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    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
    2.4206    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0579    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2703    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4827    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9076    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9076    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1200    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4047    1.7061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  1  5  1  0  0  0  0
  8  9  2  0  0  0  0
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  2  8  1  6  0  0  0
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 12 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
 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
 11 12  1  0  0  0  0
  6 11  1  1  0  0  0
  7 21  2  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  5 24  1  6  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 31  2  0  0  0  0
 25 32  2  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
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 36 38  1  0  0  0  0
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 37 40  1  0  0  0  0
 29 41  1  0  0  0  0
M  END
>  <Mol_ID> (1,558)
1558

>  <Formula> (1,558)
C29H40N4O7S

>  <MolWeight> (1,558)
588.7155

>  <Item Name> (1,558)
Penicillin G Procaine

>  <Catalog Number> (1,558)
S5515

>  <Synonyms> (1,558)
Procaine benzylpenicillin

>  <Target> (1,558)
Anti-infection

>  <Form> (1,558)
salt

>  <URL> (1,558)
http://selleckchem.com/products/penicillin-g-procaine.html

>  <CAS Number> (1,558)
6130-64-9

$$$$
S5520 Phenidone.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.2221    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600    5.0190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0948    5.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4297    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0048    2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9320    6.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5320    6.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7588    7.4817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    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  1  0  0  0  0
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  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7  8  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,559)
1559

>  <Formula> (1,559)
C9H10N2O

>  <MolWeight> (1,559)
162.1885

>  <Item Name> (1,559)
Phenidone

>  <Catalog Number> (1,559)
S5520

>  <Synonyms> (1,559)
1-phenyl-3-pyrazolidinone

>  <Target> (1,559)
COX,Lipoxygenase

>  <Form> (1,559)
free base

>  <URL> (1,559)
http://selleckchem.com/products/phenidone.html

>  <CAS Number> (1,559)
92-43-3

$$$$
GSK'963.cdx
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NF-¦ÊB,TNF-alpha

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2049868-46-2

$$$$
bpV (HOpic).cdx
csChFnd80/10101813242D

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PTEN

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potassium 

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http://selleckchem.com/products/bpv-hopic.html

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722494-26-0

$$$$
79-6 (CID5721353, BCL6 inhibitor).cdx
csChFnd80/10101813242D

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C15H9BrN2O6S2

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79-6 (CID5721353, BCL6 inhibitor)

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S8250

>  <Synonyms> (1,562)
N/A

>  <Target> (1,562)
Bcl-6

>  <URL> (1,562)
http://selleckchem.com/products/79-6-cid5721353-bcl6-inhibitor.html

>  <CAS Number> (1,562)
301356-95-6

$$$$
Anlotinib (AL3818).cdx
csChFnd80/10101813242D

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>  <Synonyms> (1,563)
N/A

>  <Target> (1,563)
VEGFR

>  <Form> (1,563)
dihydrochloride 

>  <URL> (1,563)
http://selleckchem.com/products/anlotinib-al3818.html

>  <CAS Number> (1,563)
1360460-82-7

$$$$
DCC-2618.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,570)
1570

>  <Formula> (1,570)
C21H28O2

>  <MolWeight> (1,570)
312.44582

>  <Item Name> (1,570)
Guggulsterone E&Z

>  <Catalog Number> (1,570)
S3792

>  <Synonyms> (1,570)
N/A

>  <Target> (1,570)
FXR

>  <Form> (1,570)
free base

>  <URL> (1,570)
http://selleckchem.com/products/guggulsterone.html

>  <CAS Number> (1,570)
95975-55-6

$$$$
S3970 Vindoline.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,571)
1571

>  <Formula> (1,571)
C25H32N2O6

>  <MolWeight> (1,571)
456.53138

>  <Item Name> (1,571)
Vindoline

>  <Catalog Number> (1,571)
S3970

>  <Synonyms> (1,571)
N/A

>  <Target> (1,571)
Microtubule Associated

>  <Form> (1,571)
free base

>  <URL> (1,571)
http://selleckchem.com/products/vindoline.html

>  <CAS Number> (1,571)
2182-14-1

$$$$
S3971 Fusidine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,572)
1572

>  <Formula> (1,572)
C31H48O6

>  <MolWeight> (1,572)
516.70922

>  <Item Name> (1,572)
Fusidine

>  <Catalog Number> (1,572)
S3971

>  <Synonyms> (1,572)
Fusidic Acid

>  <Target> (1,572)
Anti-infection

>  <Form> (1,572)
free base

>  <URL> (1,572)
http://selleckchem.com/products/fusidine.html

>  <CAS Number> (1,572)
6990-06-3

$$$$
S3972 Lobeline  hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,573)
1573

>  <Formula> (1,573)
C22H28ClNO2

>  <MolWeight> (1,573)
373.91622

>  <Item Name> (1,573)
Lobeline hydrochloride

>  <Catalog Number> (1,573)
S3972

>  <Synonyms> (1,573)
N/A

>  <Target> (1,573)
AChR,Opioid Receptor

>  <Form> (1,573)
hydrochloride 

>  <URL> (1,573)
http://selleckchem.com/products/lobeline-hydrochloride.html

>  <CAS Number> (1,573)
134-63-4

$$$$
S4590 Dithranol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,574)
1574

>  <Formula> (1,574)
C14H10O3

>  <MolWeight> (1,574)
226.2274

>  <Item Name> (1,574)
Dithranol

>  <Catalog Number> (1,574)
S4590

>  <Synonyms> (1,574)
Anthralin; cignoline; 1,8,9-trihydroxyanthracene

>  <Target> (1,574)
Others

>  <Form> (1,574)
free base

>  <URL> (1,574)
http://selleckchem.com/products/dithranol.html

>  <CAS Number> (1,574)
1143-38-0

$$$$
S4833 Cefoxitin sodium.cdx
csChFnd80/10101813242D

 30 31  0  0  0  0  0  0  0  0999 V2000
    8.6520    4.7120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,575)
1575

>  <Formula> (1,575)
C16H16N3NaO7S2

>  <MolWeight> (1,575)
449.43391

>  <Item Name> (1,575)
Cefoxitin sodium

>  <Catalog Number> (1,575)
S4833

>  <Synonyms> (1,575)
N/A

>  <Target> (1,575)
Anti-infection

>  <Form> (1,575)
sodium salt

>  <URL> (1,575)
http://selleckchem.com/products/cefoxitin-sodium.html

>  <CAS Number> (1,575)
33564-30-6

$$$$
S4845 Rabeprazole.cdx
csChFnd80/10101813242D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4344    3.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4344    1.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  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> (1,576)
1576

>  <Formula> (1,576)
C18H21N3O3S

>  <MolWeight> (1,576)
359.44264

>  <Item Name> (1,576)
Rabeprazole

>  <Catalog Number> (1,576)
S4845

>  <Synonyms> (1,576)
N/A

>  <Target> (1,576)
Proton Pump

>  <Form> (1,576)
free base

>  <URL> (1,576)
http://selleckchem.com/products/rabeprazole.html

>  <CAS Number> (1,576)
117976-89-3

$$$$
S4846 Meropenem Trihydrate.cdx
csChFnd80/10101813242D

 31 30  0  0  0  0  0  0  0  0999 V2000
   11.7775    2.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7757    4.1517    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1096    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3791    2.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3758    4.1475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1067    4.5859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9310    3.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5442    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3891    1.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9758    4.1475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5374    5.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3310    3.4564    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8965    0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2764    5.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5061    1.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6358    1.9962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   20.0351    2.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   24.8084    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
  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  2  0  0  0  0
  4  5  1  0  0  0  0
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  6 11  1  1  0  0  0
  6  7  1  0  0  0  0
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  5 27  1  1  0  0  0
  2 28  1  6  0  0  0
M  END
>  <Mol_ID> (1,577)
1577

>  <Formula> (1,577)
C17H31N3O8S

>  <MolWeight> (1,577)
437.50834

>  <Item Name> (1,577)
Meropenem Trihydrate

>  <Catalog Number> (1,577)
S4846

>  <Synonyms> (1,577)
N/A

>  <Target> (1,577)
Anti-infection

>  <Form> (1,577)
trihydrate 

>  <URL> (1,577)
http://selleckchem.com/products/meropenem-trihydrate.html

>  <CAS Number> (1,577)
119478-56-7

$$$$
S4850 Flucloxacillin sodium.cdx
csChFnd80/10101813242D

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.8576    5.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8576    3.7026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1894    5.5683    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4455    5.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4455    3.7026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1894    3.2951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0390    4.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5855    6.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4868    6.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4868    2.7152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3306    5.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3592    3.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8288    2.3191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,578)
1578

>  <Formula> (1,578)
C19H16ClFN3NaO5S

>  <MolWeight> (1,578)
475.8536132

>  <Item Name> (1,578)
Flucloxacillin sodium

>  <Catalog Number> (1,578)
S4850

>  <Synonyms> (1,578)
floxacillin sodium

>  <Target> (1,578)
Anti-infection

>  <Form> (1,578)
sodium salt 

>  <URL> (1,578)
http://selleckchem.com/products/flucloxacillin-sodium.html

>  <CAS Number> (1,578)
1847-24-1

$$$$
S4853 Ecabet sodium.cdx
csChFnd80/10101813242D

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.4246    4.8817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6320    5.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4246    6.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6320    6.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,579)
1579

>  <Formula> (1,579)
C20H27NaO5S

>  <MolWeight> (1,579)
402.48015

>  <Item Name> (1,579)
Ecabet sodium

>  <Catalog Number> (1,579)
S4853

>  <Synonyms> (1,579)
TA-2711, TA-2711E

>  <Target> (1,579)
Others

>  <Form> (1,579)
sodium salt 

>  <URL> (1,579)
http://selleckchem.com/products/ecabet-sodium.html

>  <CAS Number> (1,579)
86408-72-2

$$$$
S4865 Cefetamet pivoxil hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,580)
1580

>  <Formula> (1,580)
C20H26ClN5O7S2

>  <MolWeight> (1,580)
548.03274

>  <Item Name> (1,580)
Cefetamet pivoxil hydrochloride

>  <Catalog Number> (1,580)
S4865

>  <Synonyms> (1,580)
N/A

>  <Target> (1,580)
Anti-infection

>  <Form> (1,580)
hydrochloride 

>  <URL> (1,580)
http://selleckchem.com/products/cefetamet-pivoxil-hydrochloride.html

>  <CAS Number> (1,580)
111696-23-2

$$$$
S4873 Dicyclanil.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,581)
1581

>  <Formula> (1,581)
C8H10N6

>  <MolWeight> (1,581)
190.2052

>  <Item Name> (1,581)
Dicyclanil

>  <Catalog Number> (1,581)
S4873

>  <Synonyms> (1,581)
N/A

>  <Target> (1,581)
Others

>  <Form> (1,581)
free base

>  <URL> (1,581)
http://selleckchem.com/products/dicyclanil.html

>  <CAS Number> (1,581)
112636-83-6

$$$$
S4955 Acetosyringone.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,582)
1582

>  <Formula> (1,582)
C10H12O4

>  <MolWeight> (1,582)
196.19988

>  <Item Name> (1,582)
Acetosyringone

>  <Catalog Number> (1,582)
S4955

>  <Synonyms> (1,582)
Acetosyringenin

>  <Target> (1,582)
Others

>  <Form> (1,582)
free base

>  <URL> (1,582)
http://selleckchem.com/products/acetosyringone.html

>  <CAS Number> (1,582)
2478-38-8

$$$$
S4992 Nanofin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,583)
1583

>  <Formula> (1,583)
C7H15N

>  <MolWeight> (1,583)
113.2007

>  <Item Name> (1,583)
Nanofin

>  <Catalog Number> (1,583)
S4992

>  <Synonyms> (1,583)
2,6-Dimethylpiperidine; Lupetidine; Naniopinum

>  <Target> (1,583)
AChR

>  <URL> (1,583)
http://selleckchem.com/products/nanofin.html

>  <CAS Number> (1,583)
504-03-0

$$$$
S4996 AN-2690.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,584)
1584

>  <Formula> (1,584)
C7H6BFO2

>  <MolWeight> (1,584)
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>  <Item Name> (1,584)
Tavaborole (AN-2690)

>  <Catalog Number> (1,584)
S4996

>  <Synonyms> (1,584)
N/A

>  <Target> (1,584)
Anti-infection

>  <Form> (1,584)
free base

>  <URL> (1,584)
http://selleckchem.com/products/tavaborole-an-2690.html

>  <CAS Number> (1,584)
174671-46-6

$$$$
S5071 Duloxetine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,585)
1585

>  <Formula> (1,585)
C18H19NOS

>  <MolWeight> (1,585)
297.41456

>  <Item Name> (1,585)
Duloxetine

>  <Catalog Number> (1,585)
S5071

>  <Synonyms> (1,585)
LY-248686

>  <Target> (1,585)
5-HT Receptor

>  <Form> (1,585)
free base

>  <URL> (1,585)
http://selleckchem.com/products/duloxetine.html

>  <CAS Number> (1,585)
116539-59-4

$$$$
S5072 Rosuvastatin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,586)
1586

>  <Formula> (1,586)
C22H28FN3O6S

>  <MolWeight> (1,586)
481.5376232

>  <Item Name> (1,586)
Rosuvastatin

>  <Catalog Number> (1,586)
S5072

>  <Synonyms> (1,586)
N/A

>  <Target> (1,586)
HMG-CoA Reductase

>  <URL> (1,586)
http://selleckchem.com/products/rosuvastatin.html

>  <CAS Number> (1,586)
287714-41-4

$$$$
S5087 Tianeptine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,587)
1587

>  <Formula> (1,587)
C21H25ClN2O4S

>  <MolWeight> (1,587)
436.9522

>  <Item Name> (1,587)
Tianeptine

>  <Catalog Number> (1,587)
S5087

>  <Synonyms> (1,587)
S-1574, JNJ-39823277, TPI-1062

>  <Target> (1,587)
Opioid Receptor

>  <Form> (1,587)
free base

>  <URL> (1,587)
http://selleckchem.com/products/tianeptine.html

>  <CAS Number> (1,587)
72797-41-2

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,588)
1588

>  <Formula> (1,588)
C3H8NO6P

>  <MolWeight> (1,588)
185.072481

>  <Item Name> (1,588)
O-Phospho-L-serine

>  <Catalog Number> (1,588)
S5137

>  <Synonyms> (1,588)
Dexfosfoserine

>  <Target> (1,588)
GluR

>  <Form> (1,588)
free base

>  <URL> (1,588)
http://selleckchem.com/products/o-phospho-l-serine.html

>  <CAS Number> (1,588)
407-41-0

$$$$
S5153 Tetrahydroberberine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,589)
1589

>  <Formula> (1,589)
C20H21NO4

>  <MolWeight> (1,589)
339.38504

>  <Item Name> (1,589)
Tetrahydroberberine

>  <Catalog Number> (1,589)
S5153

>  <Synonyms> (1,589)
Canadine

>  <Target> (1,589)
Dopamine Receptor,5-HT Receptor

>  <Form> (1,589)
free base

>  <URL> (1,589)
http://selleckchem.com/products/tetrahydroberberine.html

>  <CAS Number> (1,589)
522-97-4

$$$$
S5320 Octinoxate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,590)
1590

>  <Formula> (1,590)
C18H26O3

>  <MolWeight> (1,590)
290.39724

>  <Item Name> (1,590)
Octinoxate

>  <Catalog Number> (1,590)
S5320

>  <Synonyms> (1,590)
Octyl methoxycinnamate, ethylhexyl methoxycinnamate

>  <Target> (1,590)
Others

>  <Form> (1,590)
free base

>  <URL> (1,590)
http://selleckchem.com/products/octinoxate.html

>  <CAS Number> (1,590)
5466-77-3 

$$$$
S5322 Sodium gualenate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,591)
1591

>  <Formula> (1,591)
C15H17NaO3S

>  <MolWeight> (1,591)
300.34845

>  <Item Name> (1,591)
Sodium gualenate

>  <Catalog Number> (1,591)
S5322

>  <Synonyms> (1,591)
Guaiazulenesulfonate sodium

>  <Target> (1,591)
Immunology & Inflammation related

>  <Form> (1,591)
sodium salt

>  <URL> (1,591)
http://selleckchem.com/products/sodium-gualenate.html

>  <CAS Number> (1,591)
6223-35-4

$$$$
S5325 Nitisinone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,592)
1592

>  <Formula> (1,592)
C14H10F3NO5

>  <MolWeight> (1,592)
329.2281096

>  <Item Name> (1,592)
Nitisinone

>  <Catalog Number> (1,592)
S5325

>  <Synonyms> (1,592)
N/A

>  <Target> (1,592)
Others

>  <Form> (1,592)
free base

>  <URL> (1,592)
http://selleckchem.com/products/nitisinone.html

>  <CAS Number> (1,592)
104206-65-7

$$$$
S5327 Meisoindigo.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,593)
1593

>  <Formula> (1,593)
C17H12N2O2

>  <MolWeight> (1,593)
276.28938

>  <Item Name> (1,593)
Meisoindigo

>  <Catalog Number> (1,593)
S5327

>  <Synonyms> (1,593)
N-Methylisoindigotin, Methylisoindigotin, Dian III

>  <Target> (1,593)
Others

>  <Form> (1,593)
free base

>  <URL> (1,593)
http://selleckchem.com/products/meisoindigo.html

>  <CAS Number> (1,593)
97207-47-1

$$$$
S5329 FAAH-IN-2.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,594)
1594

>  <Formula> (1,594)
C15H11ClFN3O2

>  <MolWeight> (1,594)
319.7181432

>  <Item Name> (1,594)
FAAH-IN-2

>  <Catalog Number> (1,594)
S5329

>  <Synonyms> (1,594)
N/A

>  <Target> (1,594)
FAAH

>  <Form> (1,594)
free base

>  <URL> (1,594)
http://selleckchem.com/products/faah-in-2.html

>  <CAS Number> (1,594)
184475-71-6

$$$$
S5341 Metroprolol succinate.cdx
csChFnd80/10101813242D

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   15.7723    8.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,595)
1595

>  <Formula> (1,595)
C34H56N2O10

>  <MolWeight> (1,595)
652.81584

>  <Item Name> (1,595)
Metroprolol succinate

>  <Catalog Number> (1,595)
S5341

>  <Synonyms> (1,595)
Metoprolol succinate

>  <Target> (1,595)
Adrenergic Receptor

>  <Form> (1,595)
succinate

>  <URL> (1,595)
http://selleckchem.com/products/metroprolol-succinate.html

>  <CAS Number> (1,595)
98418-47-4

$$$$
S5349 Ethyl chrysanthemumate.cdx
csChFnd80/10101813242D

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    3.6373    2.1123    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.4249    2.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2648    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,596)
1596

>  <Formula> (1,596)
C12H20O2

>  <MolWeight> (1,596)
196.286

>  <Item Name> (1,596)
Ethyl chrysanthemumate

>  <Catalog Number> (1,596)
S5349

>  <Synonyms> (1,596)
Chrysanthemic acid ethyl ester

>  <Target> (1,596)
Others

>  <URL> (1,596)
http://selleckchem.com/products/ethyl-chrysanthemumate.html

>  <CAS Number> (1,596)
97-41-6

$$$$
S5154 Tetrahydropiperine.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,597)
1597

>  <Formula> (1,597)
C17H23NO3

>  <MolWeight> (1,597)
289.36942

>  <Item Name> (1,597)
Tetrahydropiperine

>  <Catalog Number> (1,597)
S5154

>  <Synonyms> (1,597)
Cosmoperine

>  <Target> (1,597)
Others

>  <Form> (1,597)
free base

>  <URL> (1,597)
http://selleckchem.com/products/tetrahydropiperine.html

>  <CAS Number> (1,597)
23434-88-0

$$$$
S5155 Raffinose.cdx
csChFnd80/10101813242D

 34 36  0  0  0  0  0  0  0  0999 V2000
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   11.4975    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2882    2.1053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2944    3.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0851    4.2107    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0912    5.6105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8818    6.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8878    7.7158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6784    8.4210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4751   10.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2597    9.8314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,598)
1598

>  <Formula> (1,598)
C18H32O16

>  <MolWeight> (1,598)
504.43708

>  <Item Name> (1,598)
Raffinose

>  <Catalog Number> (1,598)
S5155

>  <Synonyms> (1,598)
Melitose, Melitriose

>  <Target> (1,598)
Others

>  <Form> (1,598)
free base

>  <URL> (1,598)
http://selleckchem.com/products/raffinose.html

>  <CAS Number> (1,598)
512-69-6

$$$$
S5156 4-Methoxysalicylaldehyde.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,599)
1599

>  <Formula> (1,599)
C8H8O3

>  <MolWeight> (1,599)
152.14732

>  <Item Name> (1,599)
4-Methoxysalicylaldehyde

>  <Catalog Number> (1,599)
S5156

>  <Synonyms> (1,599)
2-Hydroxy-4-methoxybenzaldehyde 

>  <Target> (1,599)
Others

>  <Form> (1,599)
free base

>  <URL> (1,599)
http://selleckchem.com/products/4-methoxysalicylaldehyde.html

>  <CAS Number> (1,599)
673-22-3

$$$$
S5158 alpha-Naphthoflavone.cdx
csChFnd80/10101813242D

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  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 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  1  0  0  0  0
  9 15  1  0  0  0  0
  9 13  2  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,600)
1600

>  <Formula> (1,600)
C19H12O2

>  <MolWeight> (1,600)
272.29738

>  <Item Name> (1,600)
alpha-Naphthoflavone

>  <Catalog Number> (1,600)
S5158

>  <Synonyms> (1,600)
7,8-benzoflavone

>  <Target> (1,600)
Aromatase

>  <Form> (1,600)
free base

>  <URL> (1,600)
http://selleckchem.com/products/alpha-naphthoflavone.html

>  <CAS Number> (1,600)
604-59-1

$$$$
S5213 Piroctone Olamine.cdx
csChFnd80/10101813242D

 21 20  0  0  0  0  0  0  0  0999 V2000
    6.0623    3.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.6355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5020    3.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    1.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.3462    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2915    5.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5008    4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7144    2.6477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    4.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9678    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1802    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3927    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,601)
1601

>  <Formula> (1,601)
C16H30N2O3

>  <MolWeight> (1,601)
298.421

>  <Item Name> (1,601)
Piroctone Olamine

>  <Catalog Number> (1,601)
S5213

>  <Synonyms> (1,601)
piroctone ethanolamine

>  <Target> (1,601)
Anti-infection

>  <URL> (1,601)
http://selleckchem.com/products/piroctone-olamine.html

>  <CAS Number> (1,601)
68890-66-4

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/10101813242D

 46 49  0  0  0  0  0  0  0  0999 V2000
    7.3937    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.9326    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8497    1.4000    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
    2.4249    1.4000    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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8263    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8363    6.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4840    5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4941    6.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    8.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    8.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1987    7.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    5.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    6.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6915    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    9.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4936    9.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    8.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9977    7.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262   10.8811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2956   11.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6579   12.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2855   10.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6378   10.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6278    9.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9801    9.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3424   11.2693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3525   12.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0002   11.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6947   11.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9362   11.8710    0.0000 C   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
   16.4689    4.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6813    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2565    4.0011    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.9565    2.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5565    5.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0440    3.3011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 10  1  0  0  0  0
  2 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 15 20  2  0  0  0  0
 14 15  1  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
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 22 27  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
 35 38  1  0  0  0  0
 31 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
 25 28  1  0  0  0  0
 21 22  1  0  0  0  0
 14 21  1  0  0  0  0
  3 14  2  0  0  0  0
 12 40  1  0  0  0  0
 41 42  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <Mol_ID> (1,602)
1602

>  <Formula> (1,602)
C33H39N5O7S

>  <MolWeight> (1,602)
649.75706

>  <Item Name> (1,602)
Nintedanib Ethanesulfonate Salt

>  <Catalog Number> (1,602)
S5234

>  <Synonyms> (1,602)
Intedanib, BIBF 1120

>  <Target> (1,602)
VEGFR,FGFR,PDGFR

>  <Form> (1,602)
ethanesulfonate 

>  <URL> (1,602)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

>  <CAS Number> (1,602)
656247-18-6

$$$$
S5237 Dihydroartemisinic acid.cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.1399    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3523    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7772    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9896    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2020    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5647    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  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  6  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 10 16  1  6  0  0  0
  6 17  1  6  0  0  0
  5 18  1  6  0  0  0
  7 19  1  6  0  0  0
  3 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,603)
1603

>  <Formula> (1,603)
C15H24O2

>  <MolWeight> (1,603)
236.34986

>  <Item Name> (1,603)
Dihydroartemisinic acid

>  <Catalog Number> (1,603)
S5237

>  <Synonyms> (1,603)
N/A

>  <Target> (1,603)
Others

>  <Form> (1,603)
free base

>  <URL> (1,603)
http://selleckchem.com/products/dihydroartemisinic-acid.html

>  <CAS Number> (1,603)
85031-59-0

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/10101813242D

 41 44  0  0  0  0  0  0  0  0999 V2000
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    9.6166    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8290    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8290    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    7.8882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7509    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9633    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7509    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9591    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9633    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1715    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9591    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1673    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
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M  END
>  <Mol_ID> (1,604)
1604

>  <Formula> (1,604)
C29H31FN4O7

>  <MolWeight> (1,604)
566.5774432

>  <Item Name> (1,604)
Cediranib Maleate

>  <Catalog Number> (1,604)
S5242

>  <Synonyms> (1,604)
AZD-2171 maleate

>  <Target> (1,604)
VEGFR

>  <Form> (1,604)
maleate

>  <URL> (1,604)
http://selleckchem.com/products/cediranib-maleate.html

>  <CAS Number> (1,604)
 857036-77-2

$$$$
S5248 Apatinib.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,605)
1605

>  <Formula> (1,605)
C24H23N5O

>  <MolWeight> (1,605)
397.47232

>  <Item Name> (1,605)
Apatinib

>  <Catalog Number> (1,605)
S5248

>  <Synonyms> (1,605)
YN968D1

>  <Target> (1,605)
VEGFR,c-RET

>  <Form> (1,605)
free base

>  <URL> (1,605)
http://selleckchem.com/products/apatinib.html

>  <CAS Number> (1,605)
811803-05-1

$$$$
S5256 Benproperine phosphate.cdx
csChFnd80/10101813242D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,606)
1606

>  <Formula> (1,606)
C21H30NO5P

>  <MolWeight> (1,606)
407.440361

>  <Item Name> (1,606)
Benproperine phosphate

>  <Catalog Number> (1,606)
S5256

>  <Synonyms> (1,606)
Blascorid, Pirexyl phosphate

>  <Target> (1,606)
Others

>  <Form> (1,606)
phosphate 

>  <URL> (1,606)
http://selleckchem.com/products/benproperine-phosphate.html

>  <CAS Number> (1,606)
19428-14-9

$$$$
S5258 Revefenacin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,607)
1607

>  <Formula> (1,607)
C35H43N5O4

>  <MolWeight> (1,607)
597.74702

>  <Item Name> (1,607)
Revefenacin

>  <Catalog Number> (1,607)
S5258

>  <Synonyms> (1,607)
TD-4208, GSK-1160724

>  <Target> (1,607)
AChR

>  <URL> (1,607)
http://selleckchem.com/products/revefenacin.html

>  <CAS Number> (1,607)
864750-70-9

$$$$
S5266 Stiripentol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,608)
1608

>  <Formula> (1,608)
C14H18O3

>  <MolWeight> (1,608)
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>  <Item Name> (1,608)
Stiripentol

>  <Catalog Number> (1,608)
S5266

>  <Synonyms> (1,608)
BCX2600

>  <Target> (1,608)
Others

>  <URL> (1,608)
http://selleckchem.com/products/stiripentol.html

>  <CAS Number> (1,608)
49763-96-4

$$$$
S5281 Dapiprazole Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,609)
1609

>  <Formula> (1,609)
C19H28ClN5

>  <MolWeight> (1,609)
361.91212

>  <Item Name> (1,609)
Dapiprazole Hydrochloride

>  <Catalog Number> (1,609)
S5281

>  <Synonyms> (1,609)
Glamidolo Hydrochloride, Reversil Hydrochloride

>  <Target> (1,609)
Adrenergic Receptor

>  <Form> (1,609)
hydrochloride

>  <URL> (1,609)
http://selleckchem.com/products/dapiprazole-hydrochloride.html

>  <CAS Number> (1,609)
72822-13-0

$$$$
S5319 AWD 131-138.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,610)
1610

>  <Formula> (1,610)
C13H14ClN3O2

>  <MolWeight> (1,610)
279.72216

>  <Item Name> (1,610)
AWD 131-138

>  <Catalog Number> (1,610)
S5319

>  <Synonyms> (1,610)
Imepitoin, ELB-138

>  <Target> (1,610)
Others

>  <Form> (1,610)
free base

>  <URL> (1,610)
http://selleckchem.com/products/awd-131-138.html

>  <CAS Number> (1,610)
188116-07-6

$$$$
S5350 Cefpodoxime proxetil.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,611)
1611

>  <Formula> (1,611)
C21H27N5O9S2

>  <MolWeight> (1,611)
557.59718

>  <Item Name> (1,611)
Cefpodoxime proxetil

>  <Catalog Number> (1,611)
S5350

>  <Synonyms> (1,611)
N/A

>  <Target> (1,611)
Anti-infection

>  <Form> (1,611)
free base

>  <URL> (1,611)
http://selleckchem.com/products/cefpodoxime-proxetil.html

>  <CAS Number> (1,611)
87239-81-4

$$$$
S5355 Piperaquine phosphate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,612)
1612

>  <Formula> (1,612)
C29H35Cl2N6O4P

>  <MolWeight> (1,612)
633.505761

>  <Item Name> (1,612)
Piperaquine phosphate

>  <Catalog Number> (1,612)
S5355

>  <Synonyms> (1,612)
N/A

>  <Target> (1,612)
Anti-infection

>  <Form> (1,612)
phosphate 

>  <URL> (1,612)
http://selleckchem.com/products/piperaquine-phosphate.html

>  <CAS Number> (1,612)
85547-56-4

$$$$
S5359 Butoconazole.cdx
csChFnd80/10101813242D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.7834    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    4.4834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.6834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  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
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
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 15 21  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,613)
1613

>  <Formula> (1,613)
C19H17Cl3N2S

>  <MolWeight> (1,613)
411.77568

>  <Item Name> (1,613)
Butoconazole

>  <Catalog Number> (1,613)
S5359

>  <Synonyms> (1,613)
N/A

>  <Target> (1,613)
Anti-infection

>  <Form> (1,613)
free base

>  <URL> (1,613)
http://selleckchem.com/products/butoconazole.html

>  <CAS Number> (1,613)
64872-76-0

$$$$
S5362 Citicholine.cdx
csChFnd80/10101813242D

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.8356    3.9789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6281    3.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1228    3.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9794    5.3740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4111    3.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362    1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0554    4.4646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3469    5.6739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9368    6.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1988    3.2609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4047    5.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    1.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4472    4.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9063    6.9547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    1.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0334    3.0643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4175    2.9369    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.8093    2.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2884    1.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5446    4.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3876    1.5538    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   13.6718    2.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1330    0.9758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9725    0.2844    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.8080    1.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0858    1.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2183    1.1304    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   18.0328    2.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4191    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3596    0.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 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
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 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,614)
1614

>  <Formula> (1,614)
C14H26N4O11P2

>  <MolWeight> (1,614)
488.323962

>  <Item Name> (1,614)
Citicholine

>  <Catalog Number> (1,614)
S5362

>  <Synonyms> (1,614)
CDP-choline, cytidine 5'-diphosphocholine

>  <Target> (1,614)
Others

>  <Form> (1,614)
inner salt

>  <URL> (1,614)
http://selleckchem.com/products/citicholine.html

>  <CAS Number> (1,614)
987-78-0

$$$$
S5363 Pikamilone.cdx
csChFnd80/10101813242D

 15 15  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
    3.6373    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   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
    0.0000    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
    8.4871    2.8000    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    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
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  8 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,615)
1615

>  <Formula> (1,615)
C10H12N2O3

>  <MolWeight> (1,615)
208.21388

>  <Item Name> (1,615)
Pikamilone

>  <Catalog Number> (1,615)
S5363

>  <Synonyms> (1,615)
N/A

>  <Target> (1,615)
Others

>  <Form> (1,615)
free base

>  <URL> (1,615)
http://selleckchem.com/products/pikamilone.html

>  <CAS Number> (1,615)
34562-97-5

$$$$
S5364 DY131.cdx
csChFnd80/10101813242D

 23 24  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,616)
1616

>  <Formula> (1,616)
C18H21N3O2

>  <MolWeight> (1,616)
311.37824

>  <Item Name> (1,616)
DY131

>  <Catalog Number> (1,616)
S5364

>  <Synonyms> (1,616)
N/A

>  <Target> (1,616)
Estrogen/progestogen Receptor

>  <Form> (1,616)
free base

>  <URL> (1,616)
http://selleckchem.com/products/dy131.html

>  <CAS Number> (1,616)
95167-41-2

$$$$
S5366 Fipronil.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    4.3103    5.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1797    7.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4326    7.8212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0909    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5142    4.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6105    9.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8470    7.4023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9906    9.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    3.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8785    5.6045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  2  0  0  0  0
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  4  9  2  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
  6 13  1  0  0  0  0
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  7  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 15 19  3  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,617)
1617

>  <Formula> (1,617)
C12H4Cl2F6N4OS

>  <MolWeight> (1,617)
437.1477792

>  <Item Name> (1,617)
Fipronil

>  <Catalog Number> (1,617)
S5366

>  <Synonyms> (1,617)
Fluocyanobenpyrazole, Termidor

>  <Target> (1,617)
Anti-infection

>  <Form> (1,617)
free base

>  <URL> (1,617)
http://selleckchem.com/products/fipronil.html

>  <CAS Number> (1,617)
120068-37-3

$$$$
S5367 Ethyl Oleate.cdx
csChFnd80/10101813242D

 22 21  0  0  0  0  0  0  0  0999 V2000
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    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    4.9000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 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
 13 14  2  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 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
M  END
>  <Mol_ID> (1,618)
1618

>  <Formula> (1,618)
C20H38O2

>  <MolWeight> (1,618)
310.51452

>  <Item Name> (1,618)
Ethyl Oleate

>  <Catalog Number> (1,618)
S5367

>  <Synonyms> (1,618)
Oleic acid ethyl ester

>  <Target> (1,618)
Others

>  <Form> (1,618)
free base

>  <URL> (1,618)
http://selleckchem.com/products/ethyl-oleate.html

>  <CAS Number> (1,618)
111-62-6 

$$$$
S5368 Lactitol.cdx
csChFnd80/10101813242D

 23 23  0  0  0  0  0  0  0  0999 V2000
    4.8560    3.5102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0684    4.2102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    4.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8565    2.1051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0684    5.6108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4248    3.5098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6378    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0689    1.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    6.3096    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8538    6.3120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4243    2.1056    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4882    5.6113    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2787    7.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    5.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8538    7.7154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    1.4056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6972    6.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4882    4.2074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    6.3107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042    5.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  6  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  6  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  1  1  0  0  0
  7 13  1  1  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  6  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 11 18  1  1  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  6  0  0  0
 16 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,619)
1619

>  <Formula> (1,619)
C12H24O11

>  <MolWeight> (1,619)
344.31236

>  <Item Name> (1,619)
Lactitol

>  <Catalog Number> (1,619)
S5368

>  <Synonyms> (1,619)
N/A

>  <Target> (1,619)
Others

>  <Form> (1,619)
free base

>  <URL> (1,619)
http://selleckchem.com/products/lactitol.html

>  <CAS Number> (1,619)
 585-86-4

$$$$
S5374 5'-Cytidylic acid.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.2166    2.5112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5707    2.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1436    3.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7141    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5676    1.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9453    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9849    2.6544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2825    1.2907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4141    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9314    2.2180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1967    0.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2913    4.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6957    3.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3693    0.2296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2843    3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5784    2.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6337    3.9576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892    2.9027    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.8351    4.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433    1.6135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 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
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,620)
1620

>  <Formula> (1,620)
C9H14N3O8P

>  <MolWeight> (1,620)
323.196521

>  <Item Name> (1,620)
5'-Cytidylic acid

>  <Catalog Number> (1,620)
S5374

>  <Synonyms> (1,620)
Cytidine monophosphate, Cytidine 5'-phosphate

>  <Target> (1,620)
DNA/RNA Synthesis

>  <Form> (1,620)
free base

>  <URL> (1,620)
http://selleckchem.com/products/5-cytidylic-acid.html

>  <CAS Number> (1,620)
63-37-6 

$$$$
S5375 ¦Ã-Decalactone.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6081    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3291    0.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    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  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
  5  8  2  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
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,621)
1621

>  <Formula> (1,621)
C10H18O2

>  <MolWeight> (1,621)
170.24872

>  <Item Name> (1,621)
¦Ã-Decalactone

>  <Catalog Number> (1,621)
S5375

>  <Synonyms> (1,621)
4-Decanolide, 5-Hexyldihydro-2(3H)-furanone

>  <Target> (1,621)
Others

>  <Form> (1,621)
free base

>  <URL> (1,621)
http://selleckchem.com/products/decalactone.html

>  <CAS Number> (1,621)
706-14-9

$$$$
S5376 Decyl aldehyde.cdx
csChFnd80/10101813242D

 12 11  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
    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 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
    8.4871    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
    9.6995    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
   10.9119    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
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,622)
1622

>  <Formula> (1,622)
C10H20O

>  <MolWeight> (1,622)
156.2652

>  <Item Name> (1,622)
Decyl aldehyde

>  <Catalog Number> (1,622)
S5376

>  <Synonyms> (1,622)
Decanal, Capraldehyde, Decanaldehyde

>  <Target> (1,622)
Others

>  <Form> (1,622)
free base

>  <URL> (1,622)
http://selleckchem.com/products/decyl-aldehyde.html

>  <CAS Number> (1,622)
112-31-2

$$$$
S5377 Dibutyl phthalate.cdx
csChFnd80/10101813242D

 20 20  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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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    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    3.5000    0.0000 O   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
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    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
    7.2746    2.1000    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
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  5 11  2  0  0  0  0
  6 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
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,623)
1623

>  <Formula> (1,623)
C16H22O4

>  <MolWeight> (1,623)
278.34348

>  <Item Name> (1,623)
Dibutyl phthalate

>  <Catalog Number> (1,623)
S5377

>  <Synonyms> (1,623)
N/A

>  <Target> (1,623)
Others

>  <Form> (1,623)
free base

>  <URL> (1,623)
http://selleckchem.com/products/dibutyl-phthalate.html

>  <CAS Number> (1,623)
84-74-2

$$$$
S5378 Dimethyl phthalate.cdx
csChFnd80/10101813242D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4240    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    1.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175    4.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476    2.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552    3.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    5.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    3.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855    4.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0425    1.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  8  2  0  0  0  0
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  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,624)
1624

>  <Formula> (1,624)
C10H10O4

>  <MolWeight> (1,624)
194.184

>  <Item Name> (1,624)
Dimethyl phthalate

>  <Catalog Number> (1,624)
S5378

>  <Synonyms> (1,624)
N/A

>  <Target> (1,624)
Others

>  <URL> (1,624)
http://selleckchem.com/products/dimethyl-phthalate.html

>  <CAS Number> (1,624)
131-11-3

$$$$
S5379 Fenchyl Alcohol.cdx
csChFnd80/10101813242D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.6570    2.0655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9981    1.3444    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8074    4.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3267    1.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9817    2.6564    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4331    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3708    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5391    2.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6790    1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9570    0.8531    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
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,625)
1625

>  <Formula> (1,625)
C10H18O

>  <MolWeight> (1,625)
154.24932

>  <Item Name> (1,625)
Fenchyl Alcohol

>  <Catalog Number> (1,625)
S5379

>  <Synonyms> (1,625)
N/A

>  <Target> (1,625)
Others

>  <Form> (1,625)
free base

>  <URL> (1,625)
http://selleckchem.com/products/fenchyl-alcohol.html

>  <CAS Number> (1,625)
1632-73-1 

$$$$
S5380 7-Hydroxyflavone.cdx
csChFnd80/10101813242D

 18 20  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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    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
    6.0622    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
    4.8497    4.9000    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
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    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
    9.6995    0.7000    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
    8.4870    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
  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
  2 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 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
M  END
>  <Mol_ID> (1,626)
1626

>  <Formula> (1,626)
C15H10O3

>  <MolWeight> (1,626)
238.2381

>  <Item Name> (1,626)
7-Hydroxyflavone

>  <Catalog Number> (1,626)
S5380

>  <Synonyms> (1,626)
N/A

>  <Form> (1,626)
free base

>  <URL> (1,626)
http://selleckchem.com/products/7-hydroxyflavone.html

>  <CAS Number> (1,626)
6665-86-7 

$$$$
S5381 Behenic Acid.cdx
csChFnd80/10101813242D

 24 23  0  0  0  0  0  0  0  0999 V2000
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    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
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    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
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 O   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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
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  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 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,627)
1627

>  <Formula> (1,627)
C22H44O2

>  <MolWeight> (1,627)
340.58356

>  <Item Name> (1,627)
Behenic Acid

>  <Catalog Number> (1,627)
S5381

>  <Synonyms> (1,627)
docosanoic acid

>  <Target> (1,627)
Others

>  <Form> (1,627)
free base

>  <URL> (1,627)
http://selleckchem.com/products/behenic-acid.html

>  <CAS Number> (1,627)
112-85-6 

$$$$
S5382 Formate.cdx
csChFnd80/10101813242D

  4  3  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 O   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
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
M  END
>  <Mol_ID> (1,628)
1628

>  <Formula> (1,628)
CH2O2

>  <MolWeight> (1,628)
46.02538

>  <Item Name> (1,628)
Formate

>  <Catalog Number> (1,628)
S5382

>  <Synonyms> (1,628)
N/A

>  <Target> (1,628)
Others

>  <Form> (1,628)
free base

>  <URL> (1,628)
http://selleckchem.com/products/formate.html

>  <CAS Number> (1,628)
64-18-6

$$$$
S5383 Erucic acid.cdx
csChFnd80/10101813242D

 24 23  0  0  0  0  0  0  0  0999 V2000
    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
    7.2746    2.1000    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
    8.4870    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
    9.6995    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
   10.9119    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
   12.1244    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
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    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
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    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
    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 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
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 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
M  END
>  <Mol_ID> (1,629)
1629

>  <Formula> (1,629)
C22H42O2

>  <MolWeight> (1,629)
338.56768

>  <Item Name> (1,629)
Erucic acid

>  <Catalog Number> (1,629)
S5383

>  <Synonyms> (1,629)
cis-13-docosenoic acid

>  <Target> (1,629)
Others

>  <Form> (1,629)
free base

>  <URL> (1,629)
http://selleckchem.com/products/erucic-acid.html

>  <CAS Number> (1,629)
112-86-7

$$$$
S5384 UTP, Trisodium Salt.cdx
csChFnd80/10101813242D

 32 30  0  0  0  0  0  0  0  0999 V2000
   11.8308    6.4994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8308    7.8994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6979    5.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9489    5.6779    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6136    8.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0507    8.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1209    4.3554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5023    4.3434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2832    6.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6187   10.0204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0411   10.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2896    3.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8389   10.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2358    1.1327    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    3.8630    5.3616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3151    4.1271    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2439    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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  1  2  1  1  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
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 22 24  2  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,630)
1630

>  <Formula> (1,630)
C9H12N2Na3O15P3

>  <MolWeight> (1,630)
550.086573

>  <Item Name> (1,630)
UTP, Trisodium Salt

>  <Catalog Number> (1,630)
S5384

>  <Synonyms> (1,630)
N/A

>  <Target> (1,630)
DNA/RNA Synthesis

>  <Form> (1,630)
Trisodium salt

>  <URL> (1,630)
http://selleckchem.com/products/utp-trisodium-salt.html

>  <CAS Number> (1,630)
19817-92-6 

$$$$
S5390 N-(Hytroxymethy)micotinamide.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4340    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8589    2.0947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    4.1947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0713    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2837    2.0947    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  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,631)
1631

>  <Formula> (1,631)
C7H8N2O2

>  <MolWeight> (1,631)
152.15062

>  <Item Name> (1,631)
N-(Hytroxymethy)micotinamide

>  <Catalog Number> (1,631)
S5390

>  <Synonyms> (1,631)
Nikomethamide, Bilamid, N-hydroxymethylnicotinamide

>  <Target> (1,631)
Anti-infection

>  <Form> (1,631)
free base

>  <URL> (1,631)
http://selleckchem.com/products/n-hytroxymethy-micotinamide.html

>  <CAS Number> (1,631)
3569-99-1

$$$$
Tegaserod maleate.cdx
csChFnd80/10101813242D

 30 30  0  0  0  0  0  0  0  0999 V2000
    4.8938    1.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1104    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3228    1.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5353    2.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7477    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9601    2.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7477    0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1726    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3850    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5974    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8099    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0223    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6103    2.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6703    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3727    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7469    0.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1762    3.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    3.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8620    2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2961    1.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    5.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7474    7.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1523    7.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0450    6.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8547    6.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2547    6.6921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1547    5.4797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6450    6.6921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7450    5.4797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  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
  1 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  1  2  0  0  0  0
 13 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 14  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 25 29  1  0  0  0  0
 25 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,632)
1632

>  <Formula> (1,632)
C20H27N5O5

>  <MolWeight> (1,632)
417.45888

>  <Item Name> (1,632)
Tegaserod Maleate

>  <Catalog Number> (1,632)
S5401

>  <Synonyms> (1,632)
N/A

>  <Target> (1,632)
5-HT Receptor

>  <Form> (1,632)
maleate

>  <URL> (1,632)
http://selleckchem.com/products/tegaserod-maleate.html

>  <CAS Number> (1,632)
189188-57-6

$$$$
S5407 Squalane.cdx
csChFnd80/10101813242D

 30 29  0  0  0  0  0  0  0  0999 V2000
   21.8238    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.6114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   26.6736    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    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    1.4000    0.0000 C   0  0  3  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    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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  3  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
    3.6373    1.4000    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    1.4000    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
  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
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  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 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 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
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,633)
1633

>  <Formula> (1,633)
C30H62

>  <MolWeight> (1,633)
422.81328

>  <Item Name> (1,633)
Squalane

>  <Catalog Number> (1,633)
S5407

>  <Synonyms> (1,633)
Perhydrosqualene, Dodecahydrosqualene

>  <Target> (1,633)
Others

>  <Form> (1,633)
free base

>  <URL> (1,633)
http://selleckchem.com/products/squalane.html

>  <CAS Number> (1,633)
 111-01-3

$$$$
S5408 Isoprene.cdx
csChFnd80/10101813242D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4059    1.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4059    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6206    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (1,634)
1634

>  <Formula> (1,634)
C5H8

>  <MolWeight> (1,634)
68.11702

>  <Item Name> (1,634)
Isoprene

>  <Catalog Number> (1,634)
S5408

>  <Synonyms> (1,634)
2-Methyl-1,3-butadiene

>  <Target> (1,634)
Others

>  <Form> (1,634)
free base

>  <URL> (1,634)
http://selleckchem.com/products/isoprene.html

>  <CAS Number> (1,634)
78-79-5

$$$$
S5409 Chelidamic acid hydrate.cdx
csChFnd80/10101813242D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.4244    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    1.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    3.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    1.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.0008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    3.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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  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  2  0  0  0  0
  6  9  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
A   14
xH2O
M  END
>  <Mol_ID> (1,635)
1635

>  <Formula> (1,635)
C7H5NO5R

>  <MolWeight> (1,635)
183.1183

>  <Item Name> (1,635)
Chelidamic acid hydrate

>  <Catalog Number> (1,635)
S5409

>  <Synonyms> (1,635)
N/A

>  <Target> (1,635)
Others

>  <Form> (1,635)
hydrate

>  <URL> (1,635)
http://selleckchem.com/products/chelidamic-acid-hydrate.html

>  <CAS Number> (1,635)
138-60-3

$$$$
S5410 Chloramphenicol sodium succinate.cdx
csChFnd80/10101813242D

 28 27  0  0  0  0  0  0  0  0999 V2000
    7.2579    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0455    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2579    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8330    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0455    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6828    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    4.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369    2.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6828    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8952    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7450    4.9000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  1  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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
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 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,636)
1636

>  <Formula> (1,636)
C15H15Cl2N2NaO8

>  <MolWeight> (1,636)
445.18397

>  <Item Name> (1,636)
Chloramphenicol sodium succinate

>  <Catalog Number> (1,636)
S5410

>  <Synonyms> (1,636)
N/A

>  <Target> (1,636)
Anti-infection

>  <Form> (1,636)
sodium salt

>  <URL> (1,636)
http://selleckchem.com/products/chloramphenicol-sodium-succinate.html

>  <CAS Number> (1,636)
982-57-0

$$$$
S5419 1,4-Cineole.cdx
csChFnd80/10101813242D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.2687    2.3659    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4116    4.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7238    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5701    1.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3340    1.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6680    3.1513    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1100    2.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9078    2.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7689    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    4.2289    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  5  1  1  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  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,637)
1637

>  <Formula> (1,637)
C10H18O

>  <MolWeight> (1,637)
154.24932

>  <Item Name> (1,637)
1,4-Cineole

>  <Catalog Number> (1,637)
S5419

>  <Synonyms> (1,637)
Isocineole

>  <Target> (1,637)
Others

>  <Form> (1,637)
free base

>  <URL> (1,637)
http://selleckchem.com/products/1-4-cineole.html

>  <CAS Number> (1,637)
470-67-7

$$$$
S5422 Trimethyloctadecylammonium bromide.cdx
csChFnd80/10101813242D

 23 21  0  0  0  0  0  0  0  0999 V2000
   18.2225    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0175    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4273    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8405    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6696    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5705    2.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9304    2.0858    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.3936    1.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6590    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2299    3.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5369    3.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606    1.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0119    1.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7510    1.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5742    1.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3320    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1550    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8942    1.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799    1.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4469    1.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2701    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5223    0.0000    0.0000 Br  0  5  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
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,638)
1638

>  <Formula> (1,638)
C21H46BrN

>  <MolWeight> (1,638)
392.50064

>  <Item Name> (1,638)
Trimethyloctadecylammonium bromide

>  <Catalog Number> (1,638)
S5422

>  <Synonyms> (1,638)
Octadecyltrimethylammonium bromide

>  <Target> (1,638)
Dynamin

>  <Form> (1,638)
bromide 

>  <URL> (1,638)
http://selleckchem.com/products/trimethyloctadecylammonium-bromide.html

>  <CAS Number> (1,638)
1120-02-1

$$$$
S5423 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride.cdx
csChFnd80/10101813242D

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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
    5.3286    4.8156    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2285    3.2569    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    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
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4714    1.1636    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  3  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 12  4  1  0  0  0  0
 11  5  1  0  0  0  0
 13 10  1  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,639)
1639

>  <Formula> (1,639)
C8H6Cl2F3NO

>  <MolWeight> (1,639)
260.0405496

>  <Item Name> (1,639)
4-Chloro-2-(trifluoroacetyl)aniline hydrochl

>  <Catalog Number> (1,639)
S5423

>  <Synonyms> (1,639)
N/A

>  <Target> (1,639)
Reverse Transcriptase

>  <Form> (1,639)
hydrochloride 

>  <URL> (1,639)
http://selleckchem.com/products/4-chloro-2-trifluoroacetyl-aniline-hydrochloride.html

>  <CAS Number> (1,639)
173676-59-0

$$$$
S5424 Carbaryl.cdx
csChFnd80/10101813242D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4343    2.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4187    0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461    2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2191    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0089    2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    4.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8463    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    6.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2668    4.9042    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  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  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
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,640)
1640

>  <Formula> (1,640)
C12H11NO2

>  <MolWeight> (1,640)
201.22124

>  <Item Name> (1,640)
Carbaryl

>  <Catalog Number> (1,640)
S5424

>  <Synonyms> (1,640)
1-naphthyl methylcarbamate

>  <Target> (1,640)
Others

>  <Form> (1,640)
free base

>  <URL> (1,640)
http://selleckchem.com/products/carbaryl.html

>  <CAS Number> (1,640)
63-25-2

$$$$
S5425 Phenylglyoxal hydrate.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4254    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,641)
1641

>  <Formula> (1,641)
C8H8O3

>  <MolWeight> (1,641)
152.14732

>  <Item Name> (1,641)
Phenylglyoxal hydrate

>  <Catalog Number> (1,641)
S5425

>  <Synonyms> (1,641)
1-Phenylethanedione hydrate

>  <Target> (1,641)
Dehydrogenase

>  <Form> (1,641)
free base

>  <URL> (1,641)
http://selleckchem.com/products/phenylglyoxal-hydrate.html

>  <CAS Number> (1,641)
1075-06-5

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/10101813242D

  7  6  0  0  0  0  0  0  0  0999 V2000
    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
    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
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  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  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,642)
1642

>  <Formula> (1,642)
C3H3BrO3

>  <MolWeight> (1,642)
166.95812

>  <Item Name> (1,642)
Bromopyruvic acid

>  <Catalog Number> (1,642)
S5426

>  <Synonyms> (1,642)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (1,642)
Others

>  <Form> (1,642)
free base

>  <URL> (1,642)
http://selleckchem.com/products/bromopyruvic-acid.html

>  <CAS Number> (1,642)
1113-59-3

$$$$
S5427 Alloxazine.cdx
csChFnd80/10101813242D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    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
    7.2746    2.1000    0.0000 N   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
    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
    1.2124    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
    8.4870    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
    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
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,643)
1643

>  <Formula> (1,643)
C10H6N4O2

>  <MolWeight> (1,643)
214.18024

>  <Item Name> (1,643)
Alloxazine

>  <Catalog Number> (1,643)
S5427

>  <Synonyms> (1,643)
Isoalloxazine

>  <Target> (1,643)
Adenosine Receptor

>  <Form> (1,643)
free base

>  <URL> (1,643)
http://selleckchem.com/products/alloxazine.html

>  <CAS Number> (1,643)
490-59-5

$$$$
S5428 Promazine Hydrochloride.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.6536    2.8189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8606    2.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4358    2.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    4.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0784    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2288    2.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8825    4.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    0.0190    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2854    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    2.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0894    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    0.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3073    4.8904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3182    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5142    4.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3313    1.4664    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  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  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  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,644)
1644

>  <Formula> (1,644)
C17H21ClN2S

>  <MolWeight> (1,644)
320.88004

>  <Item Name> (1,644)
Promazine hydrochloride

>  <Catalog Number> (1,644)
S5428

>  <Synonyms> (1,644)
Romtiazin hydrochloride, Sinophenin hydrochloride

>  <Target> (1,644)
Dopamine Receptor,5-HT Receptor

>  <Form> (1,644)
hydrochloride 

>  <URL> (1,644)
http://selleckchem.com/products/promazine-hydrochloride.html

>  <CAS Number> (1,644)
53-60-1

$$$$
S5429 Diallyl sulfide.cdx
csChFnd80/10101813242D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.6624    0.6873    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8787    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1052    0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2265    0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,645)
1645

>  <Formula> (1,645)
C6H10S

>  <MolWeight> (1,645)
114.2086

>  <Item Name> (1,645)
Diallyl sulfide

>  <Catalog Number> (1,645)
S5429

>  <Synonyms> (1,645)
Allyl Sulfide

>  <Target> (1,645)
P450 (e.g. CYP17)

>  <Form> (1,645)
free base

>  <URL> (1,645)
http://selleckchem.com/products/diallyl-sulfide.html

>  <CAS Number> (1,645)
592-88-1

$$$$
S5430 Metoprolol.cdx
csChFnd80/10101813242D

 19 19  0  0  0  0  0  0  0  0999 V2000
    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 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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    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
    4.8497    2.1000    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  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  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  2  0  0  0  0
  5 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,646)
1646

>  <Formula> (1,646)
C15H25NO3

>  <MolWeight> (1,646)
267.3639

>  <Item Name> (1,646)
Metoprolol

>  <Catalog Number> (1,646)
S5430

>  <Synonyms> (1,646)
N/A

>  <Target> (1,646)
Adrenergic Receptor

>  <Form> (1,646)
free base

>  <URL> (1,646)
http://selleckchem.com/products/metoprolol.html

>  <CAS Number> (1,646)
51384-51-1

$$$$
S5431 L-Homoarginine hydrochloride.cdx
csChFnd80/10101813242D

 14 12  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.6741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.0741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.6741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.5741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1397    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
  2  4  1  0  0  0  0
  2  5  1  6  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,647)
1647

>  <Formula> (1,647)
C7H17ClN4O2

>  <MolWeight> (1,647)
224.68848

>  <Item Name> (1,647)
L-Homoarginine hydrochloride

>  <Catalog Number> (1,647)
S5431

>  <Synonyms> (1,647)
N/A

>  <Target> (1,647)
phosphatase

>  <Form> (1,647)
hydrochloride 

>  <URL> (1,647)
http://selleckchem.com/products/l-homoarginine-hydrochloride.html

>  <CAS Number> (1,647)
1483-01-8

$$$$
S5432 N-(2-Chloroethyl)dibenzylamine Hydrochloride.cdx
csChFnd80/10101813242D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.8388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.3388    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5824    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  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
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,648)
1648

>  <Formula> (1,648)
C16H19Cl2N

>  <MolWeight> (1,648)
296.23476

>  <Item Name> (1,648)
Dibenamine Hydrochloride

>  <Catalog Number> (1,648)
S5432

>  <Synonyms> (1,648)
N-(2-Chloroethyl)dibenzylamine Hydrochloride, Sympatholytin Hydrochloride, Dibenzyl chlorethylamine, 

>  <Target> (1,648)
Adrenergic Receptor

>  <Form> (1,648)
hydrochloride 

>  <URL> (1,648)
http://selleckchem.com/products/dibenamine-hydrochloride.html

>  <CAS Number> (1,648)
55-43-6

$$$$
S5433 Sodium succinate dibasic.cdx
csChFnd80/10101813242D

 10  7  0  0  0  0  0  0  0  0999 V2000
    3.6570    2.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8694    1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570    3.4956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4446    1.3975    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0818    2.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940    1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5030    2.0979    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.8438    2.0598    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4035    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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,649)
1649

>  <Formula> (1,649)
C4H4Na2O4

>  <MolWeight> (1,649)
162.0517

>  <Item Name> (1,649)
Sodium succinate

>  <Catalog Number> (1,649)
S5433

>  <Synonyms> (1,649)
Sodium 3-carboxypropanoate, Disodium butanedioate

>  <Target> (1,649)
Others

>  <Form> (1,649)
disodium salt

>  <URL> (1,649)
http://selleckchem.com/products/sodium-succinate.html

>  <CAS Number> (1,649)
150-90-3

$$$$
S5434 3-Methylpyrazole-5-carboxylic acid.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4434    2.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    3.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7134    1.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309    1.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0300    3.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6865    2.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6446    4.9429    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
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,650)
1650

>  <Formula> (1,650)
C5H6N2O2

>  <MolWeight> (1,650)
126.11334

>  <Item Name> (1,650)
AS057278

>  <Catalog Number> (1,650)
S5434

>  <Synonyms> (1,650)
3-Methylpyrazole-5-carboxylic acid
3-Methylpyrazole-5-carboxylic acid

>  <Target> (1,650)
Others

>  <Form> (1,650)
free base

>  <URL> (1,650)
http://selleckchem.com/products/as057278.html

>  <CAS Number> (1,650)
402-61-9

$$$$
S5435 Quinacrine Dihydrochloride Dihydrate.cdx
csChFnd80/10101813242D

 32 30  0  0  0  0  0  0  0  0999 V2000
   14.9307    2.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1328    2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7080    2.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9307    4.2128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1225    0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3504    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6977    0.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5007    2.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1428    4.9126    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.9050    0.0178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3298    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5602    2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4802    0.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2832    2.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3713    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1428    6.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5473    0.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7684    2.7842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2704    0.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5512    4.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9805    2.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0621    0.0514    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.7918    4.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9654    4.8459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   20.9654    6.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3811    4.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2095    6.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   23.0400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   23.0400    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
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 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
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 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,651)
1651

>  <Formula> (1,651)
C23H36Cl3N3O3

>  <MolWeight> (1,651)
508.90924

>  <Item Name> (1,651)
Quinacrine Dihydrochloride Dihydrate

>  <Catalog Number> (1,651)
S5435

>  <Synonyms> (1,651)
Mepacrine Dihydrochloride Dihydrate

>  <Target> (1,651)
Others

>  <Form> (1,651)
dihydrochloride, dihydrate

>  <URL> (1,651)
http://selleckchem.com/products/quinacrine-dihydrochloride-dihydrate.html

>  <CAS Number> (1,651)
6151-30-0

$$$$
S5437 4,4'-DDE.cdx
csChFnd80/10101813242D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8625    2.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625    4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0617    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2855    2.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    4.8991    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    4.8991    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7208    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
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 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,652)
1652

>  <Formula> (1,652)
C14H8Cl4

>  <MolWeight> (1,652)
318.02532

>  <Item Name> (1,652)
4,4'-DDE

>  <Catalog Number> (1,652)
S5437

>  <Synonyms> (1,652)
p,p'-DDE; Dichlorodiphenyldichloroethylene; p,p'-dichlorodiphenyldichloroethylene

>  <Target> (1,652)
Estrogen/progestogen Receptor

>  <Form> (1,652)
free base

>  <URL> (1,652)
http://selleckchem.com/products/4-4-dde.html

>  <CAS Number> (1,652)
72-55-9

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.4000    0.0000 C   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
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    8.4000    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  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
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 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,653)
1653

>  <Formula> (1,653)
C12H9ClO2S

>  <MolWeight> (1,653)
252.71666

>  <Item Name> (1,653)
Biphenyl-4-sulfonyl chloride

>  <Catalog Number> (1,653)
S5438

>  <Synonyms> (1,653)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (1,653)
HDAC

>  <Form> (1,653)
free base

>  <URL> (1,653)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

>  <CAS Number> (1,653)
1623-93-4

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/10101813242D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    0.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.0000    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
    4.9677    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8093    0.0000 Br  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
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,654)
1654

>  <Formula> (1,654)
C8H6BrN

>  <MolWeight> (1,654)
196.04394

>  <Item Name> (1,654)
5-Bromoindole

>  <Catalog Number> (1,654)
S5439

>  <Synonyms> (1,654)
N/A

>  <Target> (1,654)
GSK-3

>  <Form> (1,654)
free base

>  <URL> (1,654)
http://selleckchem.com/products/5-bromoindole.html

>  <CAS Number> (1,654)
10075-50-0

$$$$
S5440 Berberine Sulfate.cdx
csChFnd80/10101813242D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906    8.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9523    7.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1300    3.9311    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  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  8 11  1  0  0  0  0
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 10 15  2  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,655)
1655

>  <Formula> (1,655)
C20H19NO8S

>  <MolWeight> (1,655)
433.43176

>  <Item Name> (1,655)
Berberine Sulfate

>  <Catalog Number> (1,655)
S5440

>  <Synonyms> (1,655)
Umbellatine Sulfate

>  <Target> (1,655)
Anti-infection

>  <Form> (1,655)
sulfate 

>  <URL> (1,655)
http://selleckchem.com/products/berberine-sulfate.html

>  <CAS Number> (1,655)
633-66-9

$$$$
S5441 1-Naphthyl phosphate potassium salt.cdx
csChFnd80/10101813242D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.4247    2.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424    0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    2.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2389    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    2.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    4.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177    0.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8139    4.9457    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.0986    6.1492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0174    5.6610    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  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
  3  8  1  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  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,656)
1656

>  <Formula> (1,656)
C10H8KO4P

>  <MolWeight> (1,656)
262.240181

>  <Item Name> (1,656)
1-Naphthyl phosphate potassium salt

>  <Catalog Number> (1,656)
S5441

>  <Synonyms> (1,656)
¦Á-Naphthyl acid phosphate monopotassium salt

>  <Target> (1,656)
phosphatase

>  <Form> (1,656)
potassium salt

>  <URL> (1,656)
http://selleckchem.com/products/1-naphthyl-phosphate-potassium-salt.html

>  <CAS Number> (1,656)
100929-85-9

$$$$
S5444 4-Bromo-3-hydroxybenzoic acid.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2108    2.0972    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
    3.6357    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    3.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    3.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3944    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    4.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8401    5.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0574    3.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  8  1  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,657)
1657

>  <Formula> (1,657)
C7H5BrO3

>  <MolWeight> (1,657)
217.0168

>  <Item Name> (1,657)
4-Bromo-3-hydroxybenzoic acid

>  <Catalog Number> (1,657)
S5444

>  <Synonyms> (1,657)
N/A

>  <Target> (1,657)
Decarboxylase

>  <Form> (1,657)
free base

>  <URL> (1,657)
http://selleckchem.com/products/4-bromo-3-hydroxybenzoic-acid.html

>  <CAS Number> (1,657)
14348-38-0

$$$$
S5445 AMI-1, free acid.cdx
csChFnd80/10101813242D

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   16.9730    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9729    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7606    5.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1854    1.2169    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.3978    0.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8850    2.4286    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
  3  7  1  0  0  0  0
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  7 12  1  0  0  0  0
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 22 24  2  0  0  0  0
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 23 26  2  0  0  0  0
 24 25  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 29  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (1,658)
1658

>  <Formula> (1,658)
C21H16N2O9S2

>  <MolWeight> (1,658)
504.48974

>  <Item Name> (1,658)
AMI-1, free acid

>  <Catalog Number> (1,658)
S5445

>  <Synonyms> (1,658)
N/A

>  <Target> (1,658)
Histone Methyltransferase

>  <Form> (1,658)
free base

>  <URL> (1,658)
http://selleckchem.com/products/ami-1-free-acid.html

>  <CAS Number> (1,658)
134-47-4

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/10101813242D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.5219    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610    1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    2.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    3.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    3.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7698    2.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    1.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378    4.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9022    1.2346    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,659)
1659

>  <Formula> (1,659)
C11H12O4

>  <MolWeight> (1,659)
208.21058

>  <Item Name> (1,659)
Ferulic acid methyl ester

>  <Catalog Number> (1,659)
S5451

>  <Synonyms> (1,659)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (1,659)
Immunology & Inflammation related

>  <Form> (1,659)
free base

>  <URL> (1,659)
http://selleckchem.com/products/ferulic-acid-methylester.html

>  <CAS Number> (1,659)
2309-07-1

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/10101813242D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.7157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    3.6373    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.8157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  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
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,660)
1660

>  <Formula> (1,660)
C20H14ClNO4

>  <MolWeight> (1,660)
367.78246

>  <Item Name> (1,660)
Sanguinarine chloride

>  <Catalog Number> (1,660)
S5452

>  <Synonyms> (1,660)
N/A

>  <Target> (1,660)
phosphatase

>  <Form> (1,660)
chloride 

>  <URL> (1,660)
http://selleckchem.com/products/sanguinarine-chloride.html

>  <CAS Number> (1,660)
5578-73-4

$$$$
S5453 Hyperoside.cdx
csChFnd80/10101813242D

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    3.5000    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    6.3252    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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 12  6  1  1  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  6  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  1  0  0  0
 25 31  1  1  0  0  0
 25 29  1  0  0  0  0
 29 32  1  1  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,661)
1661

>  <Formula> (1,661)
C21H20O12

>  <MolWeight> (1,661)
464.3763

>  <Item Name> (1,661)
Hyperoside

>  <Catalog Number> (1,661)
S5453

>  <Synonyms> (1,661)
Hyperin, Quercetin 3-galactoside

>  <Target> (1,661)
Others

>  <Form> (1,661)
free base

>  <URL> (1,661)
http://selleckchem.com/products/hyperoside.html

>  <CAS Number> (1,661)
482-36-0

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/10101813242D

 60 67  0  0  0  0  0  0  0  0999 V2000
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    1.2167    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4269    2.0966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    4.9015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8429    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2668    2.0888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4745    2.7842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4801    4.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,662)
1662

>  <Formula> (1,662)
C42H68O13

>  <MolWeight> (1,662)
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>  <Item Name> (1,662)
Saikosaponin D

>  <Catalog Number> (1,662)
S5454

>  <Synonyms> (1,662)
N/A

>  <Target> (1,662)
ATPase

>  <Form> (1,662)
free base

>  <URL> (1,662)
http://selleckchem.com/products/saikosaponin-d.html

>  <CAS Number> (1,662)
20874-52-6

$$$$
S5455 Akebia saponin D.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,663)
1663

>  <Formula> (1,663)
C47H76O18

>  <MolWeight> (1,663)
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>  <Item Name> (1,663)
Akebia saponin D

>  <Catalog Number> (1,663)
S5455

>  <Synonyms> (1,663)
Asperosaponin VI

>  <Target> (1,663)
Others

>  <Form> (1,663)
free base

>  <URL> (1,663)
http://selleckchem.com/products/akebia-saponin-d.html

>  <CAS Number> (1,663)
39524-08-8

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/10101813242D

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Corylifolinin

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Anti-infection

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free base

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http://selleckchem.com/products/isobavachalcone.html

>  <CAS Number> (1,664)
20784-50-3

$$$$
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>  <Catalog Number> (1,665)
S5457

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Curculigoside A

>  <Target> (1,665)
Immunology & Inflammation related

>  <Form> (1,665)
free base

>  <URL> (1,665)
http://selleckchem.com/products/curculigoside.html

>  <CAS Number> (1,665)
85643-19-2

$$$$
S5458 Verbascoside.cdx
csChFnd80/10101813242D

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Acteoside, Kusaginin

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Immunology & Inflammation related

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free base

>  <URL> (1,666)
http://selleckchem.com/products/verbascoside.html

>  <CAS Number> (1,666)
61276-17-3

$$$$
S5459 Aucubin.cdx
csChFnd80/10101813242D

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>  <Item Name> (1,667)
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>  <Catalog Number> (1,667)
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Rhinanthin

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Immunology & Inflammation related

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free base

>  <URL> (1,667)
http://selleckchem.com/products/aucubin.html

>  <CAS Number> (1,667)
479-98-1

$$$$
S5460 Vitexin-2-O-rhaMnoside.cdx
csChFnd80/10101813242D

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>  <Formula> (1,668)
C27H30O14

>  <MolWeight> (1,668)
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>  <Item Name> (1,668)
Vitexin-2-O-rhaMnoside

>  <Catalog Number> (1,668)
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>  <Synonyms> (1,668)
2''-O-Rhamnosylvitexin, Apigenin-8-C-glucoside

>  <Target> (1,668)
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>  <Form> (1,668)
free base

>  <URL> (1,668)
http://selleckchem.com/products/vitexin-2-o-rhamnoside.html

>  <CAS Number> (1,668)
64820-99-1

$$$$
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csChFnd80/10101813242D

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>  <Formula> (1,669)
C37H54O11

>  <MolWeight> (1,669)
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>  <Item Name> (1,669)
Cimicifugoside

>  <Catalog Number> (1,669)
S5461

>  <Synonyms> (1,669)
N/A

>  <Target> (1,669)
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>  <Form> (1,669)
free base

>  <URL> (1,669)
http://selleckchem.com/products/cimicifugoside.html

>  <CAS Number> (1,669)
66176-93-0

$$$$
S5462 5-O-Methylvisammioside.cdx
csChFnd80/10101813242D

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>  <Formula> (1,670)
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>  <MolWeight> (1,670)
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>  <Item Name> (1,670)
5-O-Methylvisammioside

>  <Catalog Number> (1,670)
S5462

>  <Synonyms> (1,670)
N/A

>  <Target> (1,670)
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>  <Form> (1,670)
free base

>  <URL> (1,670)
http://selleckchem.com/products/5-o-methylvisammioside.html

>  <CAS Number> (1,670)
84272-85-5

$$$$
S5463 Curcurbitacin IIA.cdx
csChFnd80/10101813242D

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Curcurbitacin IIA

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Hemslecin A, Dihydrocucurbitacin Q1

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Immunology & Inflammation related

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free base

>  <URL> (1,671)
http://selleckchem.com/products/curcurbitacin-iia.html

>  <CAS Number> (1,671)
58546-34-2

$$$$
S5464 Psoralidin.cdx
csChFnd80/10101813242D

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>  <Item Name> (1,672)
Psoralidin

>  <Catalog Number> (1,672)
S5464

>  <Synonyms> (1,672)
N/A

>  <Target> (1,672)
Estrogen/progestogen Receptor

>  <Form> (1,672)
free base

>  <URL> (1,672)
http://selleckchem.com/products/psoralidin.html

>  <CAS Number> (1,672)
18642-23-4

$$$$
S5465 Morroniside.cdx
csChFnd80/10101813242D

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Morroniside

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S5465

>  <Synonyms> (1,673)
N/A

>  <Target> (1,673)
Others

>  <Form> (1,673)
free base

>  <URL> (1,673)
http://selleckchem.com/products/morroniside.html

>  <CAS Number> (1,673)
25406-64-8

$$$$
S5467 Asarinin.cdx
csChFnd80/10101813242D

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Asarinin

>  <Catalog Number> (1,674)
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>  <Synonyms> (1,674)
Sesamin, Fagarol, Pseudocubebin, Episesamin, Eleutheroside B4

>  <Target> (1,674)
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free base

>  <URL> (1,674)
http://selleckchem.com/products/asarinin.html

>  <CAS Number> (1,674)
133-04-0

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,675)
1675

>  <Formula> (1,675)
C27H30O15

>  <MolWeight> (1,675)
594.5181

>  <Item Name> (1,675)
Kaempferol-3-O-glucorhamnoside

>  <Catalog Number> (1,675)
S5468

>  <Synonyms> (1,675)
Kaempferol 3-neohesperidoside

>  <Target> (1,675)
Others

>  <Form> (1,675)
salt

>  <URL> (1,675)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

>  <CAS Number> (1,675)
40437-72-7

$$$$
S5469 Bavachin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,676)
1676

>  <Formula> (1,676)
C20H20O4

>  <MolWeight> (1,676)
324.3704

>  <Item Name> (1,676)
Bavachin

>  <Catalog Number> (1,676)
S5469

>  <Synonyms> (1,676)
Corylifolin

>  <Target> (1,676)
Estrogen/progestogen Receptor

>  <Form> (1,676)
free base

>  <URL> (1,676)
http://selleckchem.com/products/bavachin.html

>  <CAS Number> (1,676)
19879-32-4

$$$$
S5471 Monotropein.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,677)
1677

>  <Formula> (1,677)
C16H22O11

>  <MolWeight> (1,677)
390.33928

>  <Item Name> (1,677)
Monotropein

>  <Catalog Number> (1,677)
S5471

>  <Synonyms> (1,677)
N/A

>  <Target> (1,677)
Immunology & Inflammation related

>  <Form> (1,677)
free base

>  <URL> (1,677)
http://selleckchem.com/products/monotropein.html

>  <CAS Number> (1,677)
5945-50-6

$$$$
S5472 Nafronyl oxalate salt.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,678)
1678

>  <Formula> (1,678)
C26H35NO7

>  <MolWeight> (1,678)
473.5586

>  <Item Name> (1,678)
Nafronyl oxalate salt

>  <Catalog Number> (1,678)
S5472

>  <Synonyms> (1,678)
N/A

>  <Target> (1,678)
5-HT Receptor

>  <Form> (1,678)
oxalate 

>  <URL> (1,678)
http://selleckchem.com/products/nafronyl-oxalate-salt.html

>  <CAS Number> (1,678)
3200-06-4

$$$$
S5473 Pivmecillinam hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,679)
1679

>  <Formula> (1,679)
C21H34ClN3O5S

>  <MolWeight> (1,679)
476.02976

>  <Item Name> (1,679)
Pivmecillinam hydrochloride

>  <Catalog Number> (1,679)
S5473

>  <Synonyms> (1,679)
N/A

>  <Target> (1,679)
Anti-infection

>  <Form> (1,679)
hydrochloride 

>  <URL> (1,679)
http://selleckchem.com/products/pivmecillinam-hydrochloride.html

>  <CAS Number> (1,679)
32887-03-9

$$$$
S5480 Clidinium Bromide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,680)
1680

>  <Formula> (1,680)
C22H26BrNO3

>  <MolWeight> (1,680)
432.35074

>  <Item Name> (1,680)
Clidinium Bromide

>  <Catalog Number> (1,680)
S5480

>  <Synonyms> (1,680)
N/A

>  <Target> (1,680)
AChR

>  <Form> (1,680)
bromide 

>  <URL> (1,680)
http://selleckchem.com/products/clidinium-bromide.html

>  <CAS Number> (1,680)
3485-62-9

$$$$
S5485 Desipramine Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,681)
1681

>  <Formula> (1,681)
C18H23ClN2

>  <MolWeight> (1,681)
302.84162

>  <Item Name> (1,681)
Desipramine Hydrochloride

>  <Catalog Number> (1,681)
S5485

>  <Synonyms> (1,681)
Desmethylimipramine, Norimipramine, EX-4355, G-35020, JB-8181, NSC-114901

>  <Target> (1,681)
5-HT Receptor

>  <Form> (1,681)
hydrochloride 

>  <URL> (1,681)
http://selleckchem.com/products/desipramine-hydrochloride.html

>  <CAS Number> (1,681)
 58-28-6

$$$$
S5486 Fluorometholone.cdx
csChFnd80/10101813242D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,682)
1682

>  <Formula> (1,682)
C22H29FO4

>  <MolWeight> (1,682)
376.4616632

>  <Item Name> (1,682)
Fluorometholone

>  <Catalog Number> (1,682)
S5486

>  <Synonyms> (1,682)
Oxylone

>  <Target> (1,682)
Glucocorticoid Receptor

>  <Form> (1,682)
free base

>  <URL> (1,682)
http://selleckchem.com/products/fluorometholone.html

>  <CAS Number> (1,682)
426-13-1

$$$$
S5496 Guanethidine Monosulfate.cdx
csChFnd80/10101813242D

 19 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,683)
1683

>  <Formula> (1,683)
C10H24N4O4S

>  <MolWeight> (1,683)
296.38696

>  <Item Name> (1,683)
Guanethidine Monosulfate

>  <Catalog Number> (1,683)
S5496

>  <Synonyms> (1,683)
N/A

>  <Target> (1,683)
Others

>  <Form> (1,683)
sulfate 

>  <URL> (1,683)
http://selleckchem.com/products/guanethidine-monosulfate.html

>  <CAS Number> (1,683)
645-43-2

$$$$
S5506 Vortioxetine.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.4870    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
    6.0622    4.2000    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    2.8000    0.0000 S   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
    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
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  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
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,684)
1684

>  <Formula> (1,684)
C18H22N2S

>  <MolWeight> (1,684)
298.44568

>  <Item Name> (1,684)
Vortioxetine

>  <Catalog Number> (1,684)
S5506

>  <Synonyms> (1,684)
N/A

>  <Target> (1,684)
5-HT Receptor

>  <Form> (1,684)
free base

>  <URL> (1,684)
http://selleckchem.com/products/vortioxetine.html

>  <CAS Number> (1,684)
508233-74-7

$$$$
S5510 DMNB.cdx
csChFnd80/10101813242D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  3  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
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   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
    3.6373    0.7000    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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 H   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
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,685)
1685

>  <Formula> (1,685)
C9H9NO5

>  <MolWeight> (1,685)
211.17146

>  <Item Name> (1,685)
DMNB

>  <Catalog Number> (1,685)
S5510

>  <Synonyms> (1,685)
DMDNB; 2,3-dimethyl-2,3-dinitrobutane

>  <Target> (1,685)
Others

>  <Form> (1,685)
free base

>  <URL> (1,685)
http://selleckchem.com/products/dmnb.html

>  <CAS Number> (1,685)
20357-25-9

$$$$
S5511 Ethyl (triphenylphosphoranylidene) acetate.cdx
csChFnd80/10101813242D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.9836    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5340    2.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7817    5.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    3.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0101    5.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501    1.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9255    2.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310    6.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3699    4.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5249    1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1608    3.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3878    4.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5476    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6372    1.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5017    7.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393    6.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651    1.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8663    3.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2870    5.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9308    0.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1030    7.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    1.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2439    3.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7224    2.0332    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  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  2  0  0  0  0
 13 21  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,686)
1686

>  <Formula> (1,686)
C22H21O2P

>  <MolWeight> (1,686)
348.374701

>  <Item Name> (1,686)
Ethyl (triphenylphosphoranylidene) acetate

>  <Catalog Number> (1,686)
S5511

>  <Synonyms> (1,686)
(Carbethoxymethylene)triphenylphosphorane, Triphenylcarbethoxymethylenephosphorane, Ethyl 2-(tripheny

>  <Target> (1,686)
AChR

>  <Form> (1,686)
free base

>  <URL> (1,686)
http://selleckchem.com/products/ethyl-triphenylphosphoranylidene-acetate.html

>  <CAS Number> (1,686)
1099-45-2

$$$$
S5512 Juglone.cdx
csChFnd80/10101813242D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    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 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
    3.6373    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
    4.8497    3.5000    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
    0.0000    3.5000    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 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
    1.2124    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
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,687)
1687

>  <Formula> (1,687)
C10H6O3

>  <MolWeight> (1,687)
174.15284

>  <Item Name> (1,687)
Juglone

>  <Catalog Number> (1,687)
S5512

>  <Synonyms> (1,687)
Regianin; 5-Hydroxy-1,4-naphthoquinone

>  <Target> (1,687)
Others

>  <Form> (1,687)
free base

>  <URL> (1,687)
http://selleckchem.com/products/juglone.html

>  <CAS Number> (1,687)
481-39-0

$$$$
S5514 Lanthanum(III) chloride heptahydrate.cdx
csChFnd80/10101813242D

 11  3  0  0  0  0  0  0  0  0999 V2000
    9.0543    1.4000    0.0000 La  0  0  0  0  0  0  0  0  0  0  0  0
    7.8325    2.0905    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2412    2.0650    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0543    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   13.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   13.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   11.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8200   10.3258    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
M  END
>  <Mol_ID> (1,688)
1688

>  <Formula> (1,688)
Cl3H14LaO7

>  <MolWeight> (1,688)
371.37146

>  <Item Name> (1,688)
Lanthanum(III) chloride heptahydrate

>  <Catalog Number> (1,688)
S5514

>  <Synonyms> (1,688)
N/A

>  <Target> (1,688)
Calcium Channel

>  <Form> (1,688)
salt

>  <URL> (1,688)
http://selleckchem.com/products/lanthanum-iii-chloride-heptahydrate.html

>  <CAS Number> (1,688)
10025-84-0

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/10101813242D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6391    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    4.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    3.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    5.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7064    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,689)
1689

>  <Formula> (1,689)
C14H8O9

>  <MolWeight> (1,689)
320.20792

>  <Item Name> (1,689)
Ellagic Acid hydrate

>  <Catalog Number> (1,689)
S5516

>  <Synonyms> (1,689)
N/A

>  <Target> (1,689)
Casein Kinase

>  <Form> (1,689)
monohydrate 

>  <URL> (1,689)
http://selleckchem.com/products/ellagic-acid-hydrate.html

>  <CAS Number> (1,689)
 314041-08-2

$$$$
S5517 N-Phenylanthranilic acid.cdx
csChFnd80/10101813242D

 16 17  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    2.8000    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    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    4.2000    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
    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
    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
    6.0622    2.8000    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
    7.2746    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    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  1  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
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,690)
1690

>  <Formula> (1,690)
C13H11NO2

>  <MolWeight> (1,690)
213.23194

>  <Item Name> (1,690)
Fenamic acid

>  <Catalog Number> (1,690)
S5517

>  <Synonyms> (1,690)
N-Phenylanthranilic acid, 2-(Phenylamino)benzoic acid, 2-Anilinobenzoic acid, Diphenylamine-2-carboxy

>  <Target> (1,690)
Immunology & Inflammation related

>  <Form> (1,690)
free base

>  <URL> (1,690)
http://selleckchem.com/products/fenamic-acid.html

>  <CAS Number> (1,690)
91-40-7

$$$$
S5518 D-Glucose 6-phosphate disodium salt.cdx
csChFnd80/10101813242D

 18 15  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  1  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
    6.0622    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   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
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.3995    0.8876    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.2032    2.8015    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.7657    0.8327    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  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  6  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,691)
1691

>  <Formula> (1,691)
C6H11Na2O9P

>  <MolWeight> (1,691)
304.099441

>  <Item Name> (1,691)
D-Glucose 6-phosphate disodium salt

>  <Catalog Number> (1,691)
S5518

>  <Synonyms> (1,691)
N/A

>  <Target> (1,691)
Others

>  <Form> (1,691)
disodium salt

>  <URL> (1,691)
http://selleckchem.com/products/d-glucose-6-phosphate-disodium-salt.html

>  <CAS Number> (1,691)
3671-99-6

$$$$
S5519 4-Methylsalicylic acid.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2260    4.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    3.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037    3.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    5.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129    2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    4.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411    6.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0161    6.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    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
  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> (1,692)
1692

>  <Formula> (1,692)
C8H8O3

>  <MolWeight> (1,692)
152.14732

>  <Item Name> (1,692)
4-Methylsalicylic acid

>  <Catalog Number> (1,692)
S5519

>  <Synonyms> (1,692)
m-Cresotic acid,  2-Hydroxy-4-methylbenzoic acid, m-Cresotinic acid, 2-Hydroxy-p-toluic acid

>  <Target> (1,692)
Others

>  <Form> (1,692)
free base

>  <URL> (1,692)
http://selleckchem.com/products/4-methylsalicylic-acid.html

>  <CAS Number> (1,692)
50-85-1

$$$$
S5521 Eosin Y Disodium Trihydrate.cdx
csChFnd80/10101813242D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.0714    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8590    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2839    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9388    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8590    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2839    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4963    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3714    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5694    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7714    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714    6.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    6.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4963    6.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7087    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4346    0.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    1.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    7.4870    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2217    3.2870    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.7087    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4963    7.4870    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.9212    3.2870    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0652    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2217    6.0870    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.9212    6.0870    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0716    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   13.2125    6.1066    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  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 13  1  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 10 12  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 21  1  0  0  0  0
 16 24  2  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 24  1  0  0  0  0
 18 27  2  0  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,693)
1693

>  <Formula> (1,693)
C20H6Br4Na2O5

>  <MolWeight> (1,693)
691.85418

>  <Item Name> (1,693)
Eosin Y Disodium

>  <Catalog Number> (1,693)
S5521

>  <Synonyms> (1,693)
N/A

>  <Target> (1,693)
Others

>  <Form> (1,693)
disodium salt

>  <URL> (1,693)
http://selleckchem.com/products/eosin-y-disodium.html

>  <CAS Number> (1,693)
17372-87-1

$$$$
S5522 S-Trityl-L-cysteine.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.3997    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3997    1.7751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6998    2.9874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2998    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5998    4.1999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6997    5.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7997    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 10 21  2  0  0  0  0
 11 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 11 26  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,694)
1694

>  <Formula> (1,694)
C22H21NO2S

>  <MolWeight> (1,694)
363.47264

>  <Item Name> (1,694)
H-Cys(Trt)-OH

>  <Catalog Number> (1,694)
S5522

>  <Synonyms> (1,694)
L-Cys(Trt)-OH, H-L-Cys(Trt)-OH, S-Tritylcysteine

>  <Target> (1,694)
Kinesin

>  <Form> (1,694)
free base

>  <URL> (1,694)
http://selleckchem.com/products/h-cys-trt-oh.html

>  <CAS Number> (1,694)
2799-07-7

$$$$
S5524 Spermine, Tetrahydrochloride.cdx
csChFnd80/10101813242D

 18 13  0  0  0  0  0  0  0  0999 V2000
    7.2854    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4816    0.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0829    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6904    0.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    0.7382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8994    0.0893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6460    0.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1083    0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3237    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5262    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7543    0.1274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6695   13.8728    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   13.8728    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9695   12.4728    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5695   12.4728    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  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
M  END
>  <Mol_ID> (1,695)
1695

>  <Formula> (1,695)
C10H30Cl4N4

>  <MolWeight> (1,695)
348.184

>  <Item Name> (1,695)
Spermine Tetrahydrochloride

>  <Catalog Number> (1,695)
S5524

>  <Synonyms> (1,695)
Gerontine tetrahydrochloride, Neuridine tetrahydrochloride, Musculamine tetrahydrochloride

>  <Target> (1,695)
Others

>  <Form> (1,695)
tetrahydrochloride 

>  <URL> (1,695)
http://selleckchem.com/products/spermine-tetrahydrochloride.html

>  <CAS Number> (1,695)
306-67-2

$$$$
S5525 SodiuM Metatungstate.cdx
csChFnd80/10101813242D

 58 39  0  0  0  0  0  0  0  0999 V2000
   15.9233    6.7929    0.0000 W   0  0  0  0  0  0  0  0  0  0  0  0
   14.6140    6.2553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9580    8.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,696)
1696

>  <Formula> (1,696)
H2Na6O40W12

>  <MolWeight> (1,696)
2986.0105

>  <Item Name> (1,696)
SodiuM Metatungstate

>  <Catalog Number> (1,696)
S5525

>  <Synonyms> (1,696)
Sodium Polytungstate

>  <Target> (1,696)
Others

>  <Form> (1,696)
salt

>  <URL> (1,696)
http://selleckchem.com/products/sodium-metatungstate.html

>  <CAS Number> (1,696)
12141-67-2

$$$$
S5527 Salmeterol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,697)
1697

>  <Formula> (1,697)
C25H37NO4

>  <MolWeight> (1,697)
415.56558

>  <Item Name> (1,697)
Salmeterol

>  <Catalog Number> (1,697)
S5527

>  <Synonyms> (1,697)
Astmerole, GR-33343X, SN408D

>  <Target> (1,697)
Adrenergic Receptor

>  <Form> (1,697)
free base

>  <URL> (1,697)
http://selleckchem.com/products/salmeterol.html

>  <CAS Number> (1,697)
89365-50-4

$$$$
S5528 Acetophenone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,698)
1698

>  <Formula> (1,698)
C8H8O

>  <MolWeight> (1,698)
120.14852

>  <Item Name> (1,698)
Acetophenone

>  <Catalog Number> (1,698)
S5528

>  <Synonyms> (1,698)
Methyl phenyl ketone, Phenylethanone

>  <Target> (1,698)
Others

>  <Form> (1,698)
free base

>  <URL> (1,698)
http://selleckchem.com/products/acetophenone.html

>  <CAS Number> (1,698)
98-86-2

$$$$
S5529 Galangin.cdx
csChFnd80/10101813242D

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    6.0465    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,699)
1699

>  <Formula> (1,699)
C15H10O5

>  <MolWeight> (1,699)
270.2369

>  <Item Name> (1,699)
Galangin

>  <Catalog Number> (1,699)
S5529

>  <Synonyms> (1,699)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (1,699)
P450 (e.g. CYP17)

>  <Form> (1,699)
free base

>  <URL> (1,699)
http://selleckchem.com/products/galangin.html

>  <CAS Number> (1,699)
548-83-4

$$$$
S5530 Geraniol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,700)
1700

>  <Formula> (1,700)
C10H18O

>  <MolWeight> (1,700)
154.24932

>  <Item Name> (1,700)
Geraniol

>  <Catalog Number> (1,700)
S5530

>  <Synonyms> (1,700)
N/A

>  <Target> (1,700)
Others

>  <Form> (1,700)
free base

>  <URL> (1,700)
http://selleckchem.com/products/geraniol.html

>  <CAS Number> (1,700)
106-24-1

$$$$
S5534 Cinchocaine.cdx
csChFnd80/10101813242D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.4247    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1367    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,701)
1701

>  <Formula> (1,701)
C20H29N3O2

>  <MolWeight> (1,701)
343.46316

>  <Item Name> (1,701)
Cinchocaine

>  <Catalog Number> (1,701)
S5534

>  <Synonyms> (1,701)
Dibucaine

>  <Target> (1,701)
Others

>  <Form> (1,701)
free base

>  <URL> (1,701)
http://selleckchem.com/products/cinchocaine.html

>  <CAS Number> (1,701)
85-79-0

$$$$
S5538 Tropisetron.cdx
csChFnd80/10101813242D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.5989    1.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7989    2.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0072    1.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2996    2.8280    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6270    4.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8940    4.7834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4914    3.1134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4185    3.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5570    1.7202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1638    1.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4466    2.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1527    4.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  0  0  0  0
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 10  4  1  0  0  0  0
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 14  1  2  0  0  0  0
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 17  1  1  0  0  0  0
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M  END
>  <Mol_ID> (1,702)
1702

>  <Formula> (1,702)
C17H20N2O2

>  <MolWeight> (1,702)
284.3529

>  <Item Name> (1,702)
Tropisetron

>  <Catalog Number> (1,702)
S5538

>  <Synonyms> (1,702)
ICS 205-930

>  <Target> (1,702)
5-HT Receptor,AChR

>  <Form> (1,702)
free base

>  <URL> (1,702)
http://selleckchem.com/products/tropisetron.html

>  <CAS Number> (1,702)
89565-68-4

$$$$
S5541 Dimetridazole.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4276    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6884    1.5129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9568    0.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9536    3.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0984    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0372    2.3704    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
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,703)
1703

>  <Formula> (1,703)
C5H7N3O2

>  <MolWeight> (1,703)
141.12798

>  <Item Name> (1,703)
Dimetridazole

>  <Catalog Number> (1,703)
S5541

>  <Synonyms> (1,703)
N/A

>  <Target> (1,703)
Anti-infection

>  <Form> (1,703)
free base

>  <URL> (1,703)
http://selleckchem.com/products/dimetridazole.html

>  <CAS Number> (1,703)
551-92-8

$$$$
S5543 1, 10-Phenanthroline monohydrate.cdx
csChFnd80/10101813242D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.7963    2.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1922    2.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0958    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    1.4091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8918    3.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8928    1.4075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7970    5.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6927    1.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1952    5.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2958    3.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2909    1.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9984    2.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2224    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
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  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,704)
1704

>  <Formula> (1,704)
C12H10N2O

>  <MolWeight> (1,704)
198.2206

>  <Item Name> (1,704)
1, 10-Phenanthroline monohydrate

>  <Catalog Number> (1,704)
S5543

>  <Synonyms> (1,704)
Phenanthroline monohydrate

>  <Target> (1,704)
Others

>  <Form> (1,704)
hydrate 

>  <URL> (1,704)
http://selleckchem.com/products/1-10-phenanthroline-monohydrate.html

>  <CAS Number> (1,704)
5144-89-8

$$$$
S5544 D-Ribose.cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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
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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 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
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  1  2  1  0  0  0  0
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  1  4  1  1  0  0  0
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  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,705)
1705

>  <Formula> (1,705)
C5H10O5

>  <MolWeight> (1,705)
150.1299

>  <Item Name> (1,705)
D-Ribose

>  <Catalog Number> (1,705)
S5544

>  <Synonyms> (1,705)
N/A

>  <Target> (1,705)
Others

>  <Form> (1,705)
free base

>  <URL> (1,705)
http://selleckchem.com/products/d-ribose.html

>  <CAS Number> (1,705)
 50-69-1

$$$$
S5545 DL-Serine.cdx
csChFnd80/10101813242D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  3  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
    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 N   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
    3.6373    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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,706)
1706

>  <Formula> (1,706)
C3H7NO3

>  <MolWeight> (1,706)
105.09258

>  <Item Name> (1,706)
DL-Serine

>  <Catalog Number> (1,706)
S5545

>  <Synonyms> (1,706)
N/A

>  <Target> (1,706)
PKM

>  <URL> (1,706)
http://selleckchem.com/products/dl-serine.html

>  <CAS Number> (1,706)
302-84-1

$$$$
S5547 Hydroxylammonium chloride.cdx
csChFnd80/10101813242D

  3  1  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9052    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
>  <Mol_ID> (1,707)
1707

>  <Formula> (1,707)
ClH4NO

>  <MolWeight> (1,707)
69.49086

>  <Item Name> (1,707)
Hydroxylammonium chloride

>  <Catalog Number> (1,707)
S5547

>  <Synonyms> (1,707)
Hydroxylamine hydrochloride

>  <Target> (1,707)
Others

>  <URL> (1,707)
http://selleckchem.com/products/hydroxylammonium-chloride.html

>  <CAS Number> (1,707)
5470-11-1

$$$$
S5549 DL-Arginine.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    8.4873    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    1.4002    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0624    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  1 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,708)
1708

>  <Formula> (1,708)
C6H14N4O2

>  <MolWeight> (1,708)
174.20096

>  <Item Name> (1,708)
DL-Arginine

>  <Catalog Number> (1,708)
S5549

>  <Synonyms> (1,708)
N/A

>  <Target> (1,708)
Others

>  <Form> (1,708)
free base

>  <URL> (1,708)
http://selleckchem.com/products/dl-arginine.html

>  <CAS Number> (1,708)
7200-25-1

$$$$
S5551 6-Paradol.cdx
csChFnd80/10101813242D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.8503    4.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0627    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752    4.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4876    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,709)
1709

>  <Formula> (1,709)
C17H26O3

>  <MolWeight> (1,709)
278.38654

>  <Item Name> (1,709)
6-Paradol

>  <Catalog Number> (1,709)
S5551

>  <Synonyms> (1,709)
N/A

>  <Target> (1,709)
Others

>  <Form> (1,709)
free base

>  <URL> (1,709)
http://selleckchem.com/products/6-paradol.html

>  <CAS Number> (1,709)
27113-22-0

$$$$
S5552 Amenamevir.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,710)
1710

>  <Formula> (1,710)
C24H26N4O5S

>  <MolWeight> (1,710)
482.55204

>  <Item Name> (1,710)
Amenamevir

>  <Catalog Number> (1,710)
S5552

>  <Synonyms> (1,710)
ASP2151

>  <Form> (1,710)
free base

>  <URL> (1,710)
http://selleckchem.com/products/amenamevir.html

>  <CAS Number> (1,710)
841301-32-4

$$$$
S5553 Kasugamycin hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,711)
1711

>  <Formula> (1,711)
C14H26ClN3O9

>  <MolWeight> (1,711)
415.82394

>  <Item Name> (1,711)
Kasugamycin hydrochloride

>  <Catalog Number> (1,711)
S5553

>  <Synonyms> (1,711)
N/A

>  <Target> (1,711)
Anti-infection

>  <Form> (1,711)
hydrochloride 

>  <URL> (1,711)
http://selleckchem.com/products/kasugamycin-hydrochloride.html

>  <CAS Number> (1,711)
19408-46-9

$$$$
S5554 Lanatoside C.cdx
csChFnd80/10101813242D

 72 80  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,712)
1712

>  <Formula> (1,712)
C49H76O20

>  <MolWeight> (1,712)
985.11574

>  <Item Name> (1,712)
Lanatoside C

>  <Catalog Number> (1,712)
S5554

>  <Synonyms> (1,712)
N/A

>  <Target> (1,712)
ATPase

>  <Form> (1,712)
free base

>  <URL> (1,712)
http://selleckchem.com/products/lanatoside-c.html

>  <CAS Number> (1,712)
17575-22-3

$$$$
S5555 Pamabrom.cdx
csChFnd80/10101813242D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,713)
1713

>  <Formula> (1,713)
C11H18BrN5O3

>  <MolWeight> (1,713)
348.19632

>  <Item Name> (1,713)
Pamabrom

>  <Catalog Number> (1,713)
S5555

>  <Synonyms> (1,713)
N/A

>  <Target> (1,713)
Others

>  <Form> (1,713)
salt

>  <URL> (1,713)
http://selleckchem.com/products/pamabrom.html

>  <CAS Number> (1,713)
606-04-2

$$$$
S5556 (-)-Sparteini Sulfas.cdx
csChFnd80/10101813242D

 31 28  0  0  0  0  0  0  0  0999 V2000
    5.3990    3.2363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  2  6  1  0  0  0  0
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  4  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,714)
1714

>  <Formula> (1,714)
C15H38N2O9S

>  <MolWeight> (1,714)
422.53522

>  <Item Name> (1,714)
(-)-Sparteine Sulfate

>  <Catalog Number> (1,714)
S5556

>  <Synonyms> (1,714)
N/A

>  <Target> (1,714)
Sodium Channel

>  <Form> (1,714)
sulfate pentahydrate

>  <URL> (1,714)
http://selleckchem.com/products/sparteini-sulfas.html

>  <CAS Number> (1,714)
6160-12-9

$$$$
S5557 Aklomide.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2262    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366    2.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0118    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2301    0.7034    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4327    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0079    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> (1,715)
1715

>  <Formula> (1,715)
C7H5ClN2O3

>  <MolWeight> (1,715)
200.5792

>  <Item Name> (1,715)
Aklomide

>  <Catalog Number> (1,715)
S5557

>  <Synonyms> (1,715)
2-Chloro-4-nitrobenzamide

>  <Target> (1,715)
Anti-infection

>  <Form> (1,715)
free base

>  <URL> (1,715)
http://selleckchem.com/products/aklomide.html

>  <CAS Number> (1,715)
3011-89-0

$$$$
S5558 D-Pantothenate Sodium.cdx
csChFnd80/10101813242D

 16 14  0  0  0  0  0  0  0  0999 V2000
    9.6333    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8458    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6333    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5458    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0582    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1458    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2084    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9458    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9960    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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 13 14  2  0  0  0  0
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M  END
>  <Mol_ID> (1,716)
1716

>  <Formula> (1,716)
C9H16NNaO5

>  <MolWeight> (1,716)
241.21681

>  <Item Name> (1,716)
D-Pantothenate Sodium

>  <Catalog Number> (1,716)
S5558

>  <Synonyms> (1,716)
N/A

>  <Target> (1,716)
Vitamin

>  <Form> (1,716)
sodium salt

>  <URL> (1,716)
http://selleckchem.com/products/d-pantothenate-sodium.html

>  <CAS Number> (1,716)
867-81-2

$$$$
S5562 2-Hydroxybenzyl alcohol.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6364    2.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    0.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6425    0.0053    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  2  0  0  0  0
  4  5  1  0  0  0  0
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  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,717)
1717

>  <Formula> (1,717)
C7H8O2

>  <MolWeight> (1,717)
124.13722

>  <Item Name> (1,717)
2-Hydroxybenzyl alcohol

>  <Catalog Number> (1,717)
S5562

>  <Synonyms> (1,717)
2-Hydroxybenzyl alcohol, Salicain, Diathesin, Saligenin, Saligenol, o-Methylolphenol; ¦Á,2-Toluenedio

>  <Target> (1,717)
Others

>  <Form> (1,717)
free base

>  <URL> (1,717)
http://selleckchem.com/products/2-hydroxybenzyl-alcohol.html

>  <CAS Number> (1,717)
90-01-7

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/10101813242D

 34 34  0  0  0  0  0  0  0  0999 V2000
    2.4269    4.8810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4293    3.4859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6281    2.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8468    3.4845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2677    4.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4788    5.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4791    6.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2592    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0524    6.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913    4.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6915    7.6873    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9034    5.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1150    4.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3274    5.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3274    6.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1153    7.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036    6.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5398    7.6816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7522    6.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9647    7.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5451    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7532    1.8110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  2  0  0  0  0
  4 10  1  6  0  0  0
 22 23  1  0  0  0  0
  1  6  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  5 11  1  1  0  0  0
 22 25  1  0  0  0  0
  2  3  1  0  0  0  0
 25 26  1  0  0  0  0
 11 12  2  0  0  0  0
 26 27  1  0  0  0  0
  3  4  1  0  0  0  0
 12 13  1  0  0  0  0
  4  5  1  0  0  0  0
 13 14  2  0  0  0  0
  5  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  3  7  1  1  0  0  0
 13 17  1  0  0  0  0
  1  2  1  0  0  0  0
 14 18  1  0  0  0  0
  1  8  1  1  0  0  0
  8 28  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
  2  9  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  6  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,718)
1718

>  <Formula> (1,718)
C24H35ClO9

>  <MolWeight> (1,718)
502.9823

>  <Item Name> (1,718)
Dapagliflozin propanediol monohydrate

>  <Catalog Number> (1,718)
S5566

>  <Synonyms> (1,718)
N/A

>  <Target> (1,718)
SGLT

>  <Form> (1,718)
monohydrate

>  <URL> (1,718)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

>  <CAS Number> (1,718)
960404-48-2

$$$$
S5567 Trimethadione.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1742    2.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819    3.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1110    3.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7442    0.3264    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
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6  8  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,719)
1719

>  <Formula> (1,719)
C6H9NO3

>  <MolWeight> (1,719)
143.14056

>  <Item Name> (1,719)
Trimethadione

>  <Catalog Number> (1,719)
S5567

>  <Synonyms> (1,719)
N/A

>  <Target> (1,719)
Others

>  <URL> (1,719)
http://selleckchem.com/products/trimethadione.html

>  <CAS Number> (1,719)
127-48-0

$$$$
S5569 Anisole.cdx
csChFnd80/10101813242D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2198    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4298    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    4.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    0.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    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  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,720)
1720

>  <Formula> (1,720)
C7H8O

>  <MolWeight> (1,720)
108.13782

>  <Item Name> (1,720)
Anisole

>  <Catalog Number> (1,720)
S5569

>  <Synonyms> (1,720)
methoxybenzene, Phenoxymethane

>  <Target> (1,720)
Others

>  <Form> (1,720)
free base

>  <URL> (1,720)
http://selleckchem.com/products/anisole.html

>  <CAS Number> (1,720)
100-66-3

$$$$
S5570 Arachidic acid.cdx
csChFnd80/10101813242D

 22 21  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    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
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    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
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    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
   24.2487    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 O   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    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  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
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,721)
1721

>  <Formula> (1,721)
C20H40O2

>  <MolWeight> (1,721)
312.5304

>  <Item Name> (1,721)
Arachidic acid

>  <Catalog Number> (1,721)
S5570

>  <Synonyms> (1,721)
eicosanoic acid, Icosanoic Acid

>  <Target> (1,721)
Others

>  <Form> (1,721)
free base

>  <URL> (1,721)
http://selleckchem.com/products/arachidic-acid.html

>  <CAS Number> (1,721)
506-30-9

$$$$
S5571 L-Asparagine.cdx
csChFnd80/10101813242D

  9  8  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
    3.6373    0.0000    0.0000 N   0  0  0  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
    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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  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  2  0  0  0  0
  5  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,722)
1722

>  <Formula> (1,722)
C4H8N2O3

>  <MolWeight> (1,722)
132.11792

>  <Item Name> (1,722)
L-Asparagine

>  <Catalog Number> (1,722)
S5571

>  <Synonyms> (1,722)
2-Aminosuccinamic acid, alpha-aminosuccinamic acid

>  <Target> (1,722)
Others

>  <Form> (1,722)
free base

>  <URL> (1,722)
http://selleckchem.com/products/l-asparagine.html

>  <CAS Number> (1,722)
70-47-3

$$$$
S5572 Azetidine-2-carboxylic acid.cdx
csChFnd80/10101813242D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.9900    2.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9799    1.2124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9900    0.2225    0.0000 C   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
    3.3799    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,723)
1723

>  <Formula> (1,723)
C4H7NO2

>  <MolWeight> (1,723)
101.10388

>  <Item Name> (1,723)
Azetidine-2-carboxylic acid

>  <Catalog Number> (1,723)
S5572

>  <Synonyms> (1,723)
N/A

>  <Target> (1,723)
Others

>  <Form> (1,723)
free base

>  <URL> (1,723)
http://selleckchem.com/products/azetidine-2-carboxylic-acid.html

>  <CAS Number> (1,723)
2517-04-6

$$$$
S5573 Tilmicosin phosphate.cdx
csChFnd80/10101813242D

 67 69  0  0  0  0  0  0  0  0999 V2000
    8.2441    5.0089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106    4.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106    5.5652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3423    6.6439    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1201    3.1896    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5506    3.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7729    6.6440    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4450   10.0273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4450    8.6394    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6793    7.9429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9087    8.6394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9087   10.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6793   10.7187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6650   12.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    7.9526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202   10.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6600    6.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1250    7.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4811    7.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8761    5.8911    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5399    4.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7633    3.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9956    6.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2243    5.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9953    4.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2047    3.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6585    4.2514    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6700    5.6290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4553    6.3261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9459    5.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2127    7.0488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8928    6.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8824    6.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6475    5.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6376    4.1739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4007    3.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3886    2.1143    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6111    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8579    2.0949    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.0778    1.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9525    2.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6556    3.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0958    3.4775    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.0873    2.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3075    1.3990    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.5414    2.0793    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.5450    3.4665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.3193    4.1632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3060    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3108    5.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7610    4.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7610    1.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5310    6.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    6.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1227    5.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9909    3.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9009    9.7705    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.8959   11.1682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2989    9.7705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8959    8.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5030    9.7755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4 19  1  6  0  0  0
  2  5  1  0  0  0  0
 36 41  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
  7 20  1  1  0  0  0
 40 42  1  6  0  0  0
  5  6  1  0  0  0  0
 38 43  1  6  0  0  0
  6 22  1  0  0  0  0
  5 44  1  6  0  0  0
  8 13  1  0  0  0  0
  6 45  2  0  0  0  0
  9 10  1  0  0  0  0
 28 46  1  1  0  0  0
 21 24  1  0  0  0  0
 46 47  1  0  0  0  0
 22 23  2  0  0  0  0
 48 47  1  1  0  0  0
 48 49  1  0  0  0  0
 23 26  1  0  0  0  0
 25 24  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
 48 53  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 21  7  1  0  0  0  0
 50 54  1  1  0  0  0
 13 14  1  1  0  0  0
 53 55  1  6  0  0  0
  7  4  1  0  0  0  0
 52 56  1  6  0  0  0
 25 30  1  0  0  0  0
 51 57  1  6  0  0  0
 26 27  2  0  0  0  0
 55 58  1  0  0  0  0
 27 28  1  0  0  0  0
 15 59  1  0  0  0  0
 28 29  1  0  0  0  0
 15 60  1  0  0  0  0
 29 30  1  0  0  0  0
 33 61  1  0  0  0  0
  9 15  1  1  0  0  0
 56 62  1  0  0  0  0
 26 31  1  0  0  0  0
 21  1  1  1  0  0  0
  8  9  1  0  0  0  0
 25 32  2  0  0  0  0
  8 16  1  6  0  0  0
 29 33  1  6  0  0  0
  3 34  1  6  0  0  0
 10 17  1  6  0  0  0
 34 35  1  0  0  0  0
  2  3  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 11 18  1  6  0  0  0
  3  4  1  0  0  0  0
 11 19  1  0  0  0  0
 63 64  1  0  0  0  0
 63 65  1  0  0  0  0
 63 66  2  0  0  0  0
 63 67  1  0  0  0  0
M  END
>  <Mol_ID> (1,724)
1724

>  <Formula> (1,724)
C46H83N2O17P

>  <MolWeight> (1,724)
967.128181

>  <Item Name> (1,724)
Tilmicosin phosphate

>  <Catalog Number> (1,724)
S5573

>  <Synonyms> (1,724)
N/A

>  <Target> (1,724)
Anti-infection

>  <Form> (1,724)
phosphate 

>  <URL> (1,724)
http://selleckchem.com/products/tilmicosin-phosphate.html

>  <CAS Number> (1,724)
137330-13-3

$$$$
S5574 Benzaldehyde.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 O   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
    4.9000    0.0000    0.0000 H   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  2  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,725)
1725

>  <Formula> (1,725)
C7H6O

>  <MolWeight> (1,725)
106.12194

>  <Item Name> (1,725)
Benzoic aldehyde

>  <Catalog Number> (1,725)
S5574

>  <Synonyms> (1,725)
Benzenecarboxaldehyde, Phenylmethanal, Benzoic aldehyde 

>  <Target> (1,725)
Others

>  <Form> (1,725)
free base

>  <URL> (1,725)
http://selleckchem.com/products/benzaldehyde.html

>  <CAS Number> (1,725)
100-52-7

$$$$
S5575 2-Benzoxazolinone.cdx
csChFnd80/10101813242D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4349    2.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4349    0.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7465    2.5256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    2.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7465    0.2656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5738    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9831    1.3922    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
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,726)
1726

>  <Formula> (1,726)
C7H5NO2

>  <MolWeight> (1,726)
135.1201

>  <Item Name> (1,726)
2-Benzoxazolinone

>  <Catalog Number> (1,726)
S5575

>  <Synonyms> (1,726)
2-Hydroxybenzoxazole

>  <Target> (1,726)
Others

>  <Form> (1,726)
free base

>  <URL> (1,726)
http://selleckchem.com/products/2-benzoxazolinone.html

>  <CAS Number> (1,726)
59-49-4

$$$$
S5576 Benzyl acetate.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4353    2.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477    2.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2224    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8633    2.0859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0067    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2091    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0741    2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2874    2.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0741    4.1840    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  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  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,727)
1727

>  <Formula> (1,727)
C9H10O2

>  <MolWeight> (1,727)
150.1745

>  <Item Name> (1,727)
Benzyl acetate

>  <Catalog Number> (1,727)
S5576

>  <Synonyms> (1,727)
Acetic acid benzyl ester, Benzyl ethanoate, Phenylmethyl acetate

>  <Target> (1,727)
Others

>  <Form> (1,727)
free base

>  <URL> (1,727)
http://selleckchem.com/products/benzyl-acetate.html

>  <CAS Number> (1,727)
140-11-4

$$$$
S5578 Cadaverine.cdx
csChFnd80/10101813242D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.6486    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8616    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0777    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3108    0.6872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,728)
1728

>  <Formula> (1,728)
C5H14N2

>  <MolWeight> (1,728)
102.17806

>  <Item Name> (1,728)
Cadaverine

>  <Catalog Number> (1,728)
S5578

>  <Synonyms> (1,728)
Pentane-1,5-diamine; 1,5-Diaminopentane; Pentamethylenediamine

>  <Target> (1,728)
Others

>  <Form> (1,728)
free base

>  <URL> (1,728)
http://selleckchem.com/products/cadaverine.html

>  <CAS Number> (1,728)
462-94-2

$$$$
S5579 Chelidonic acid.cdx
csChFnd80/10101813242D

 13 13  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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    2.4249    3.5000    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    1.4000    0.0000 O   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
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    0.0000    2.1000    0.0000 O   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
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,729)
1729

>  <Formula> (1,729)
C7H4O6

>  <MolWeight> (1,729)
184.10306

>  <Item Name> (1,729)
Chelidonic acid

>  <Catalog Number> (1,729)
S5579

>  <Synonyms> (1,729)
Jerva acid, Jervaic acid, ¦Ã-Pyrone-2,6-dicarboxylic acid

>  <Target> (1,729)
Immunology & Inflammation related

>  <Form> (1,729)
free base

>  <URL> (1,729)
http://selleckchem.com/products/chelidonic-acid.html

>  <CAS Number> (1,729)
99-32-1

$$$$
>  <Mol_ID> (1,730)
1730

>  <Item Name> (1,730)
Arabic gum

>  <Catalog Number> (1,730)
S5580

>  <Synonyms> (1,730)
N/A

>  <Target> (1,730)
Others

>  <URL> (1,730)
http://selleckchem.com/products/arabic-gum.html

>  <CAS Number> (1,730)
9000-01-5

$$$$
S5583 Cinnamyl acetate.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    7.2713    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0599    2.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    2.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2847    0.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444    2.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7074    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5046    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    2.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7160    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4226    2.0856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    4.1833    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
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  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
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,731)
1731

>  <Formula> (1,731)
C11H12O2

>  <MolWeight> (1,731)
176.21178

>  <Item Name> (1,731)
Cinnamyl acetate

>  <Catalog Number> (1,731)
S5583

>  <Synonyms> (1,731)
3-Phenylallyl acetate

>  <Target> (1,731)
Others

>  <Form> (1,731)
free base

>  <URL> (1,731)
http://selleckchem.com/products/cinnamyl-acetate.html

>  <CAS Number> (1,731)
103-54-8

$$$$
S5584 Citronellol.cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  3  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
    7.2746    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
    3.6373    1.4000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   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
    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
  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
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,732)
1732

>  <Formula> (1,732)
C10H20O

>  <MolWeight> (1,732)
156.2652

>  <Item Name> (1,732)
Citronellol

>  <Catalog Number> (1,732)
S5584

>  <Synonyms> (1,732)
dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (1,732)
Others

>  <Form> (1,732)
free base

>  <URL> (1,732)
http://selleckchem.com/products/citronellol.html

>  <CAS Number> (1,732)
106-22-9

$$$$
S5585 Citronellal.cdx
csChFnd80/10101813242D

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    6.0622    0.7000    0.0000 C   0  0  3  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 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
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  6 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,733)
1733

>  <Formula> (1,733)
C10H18O

>  <MolWeight> (1,733)
154.24932

>  <Item Name> (1,733)
Citronellal

>  <Catalog Number> (1,733)
S5585

>  <Synonyms> (1,733)
rhodinal; 2,3-Dihydrocitral

>  <Target> (1,733)
Others

>  <Form> (1,733)
free base

>  <URL> (1,733)
http://selleckchem.com/products/citronellal.html

>  <CAS Number> (1,733)
106-23-0

$$$$
S5586 3-Hydroxycinnamic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,734)
1734

>  <Formula> (1,734)
C9H8O3

>  <MolWeight> (1,734)
164.15802

>  <Item Name> (1,734)
3-Hydroxycinnamic acid

>  <Catalog Number> (1,734)
S5586

>  <Synonyms> (1,734)
meta-Coumaric acid, m-Coumaric acid, m-Coumarate

>  <Target> (1,734)
Others

>  <Form> (1,734)
free base

>  <URL> (1,734)
http://selleckchem.com/products/3-hydroxycinnamic-acid.html

>  <CAS Number> (1,734)
14755-02-3

$$$$
S5587 2,3-Benzofuran.cdx
csChFnd80/10101813242D

  9 10  0  0  0  0  0  0  0  0999 V2000
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  3  7  2  0  0  0  0
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  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,735)
1735

>  <Formula> (1,735)
C8H6O

>  <MolWeight> (1,735)
118.13264

>  <Item Name> (1,735)
2,3-Benzofuran

>  <Catalog Number> (1,735)
S5587

>  <Synonyms> (1,735)
N/A

>  <Target> (1,735)
Others

>  <Form> (1,735)
free base

>  <URL> (1,735)
http://selleckchem.com/products/2-3-benzofuran.html

>  <CAS Number> (1,735)
271-89-6

$$$$
S5588 Creatine.cdx
csChFnd80/10101813242D

  9  8  0  0  0  0  0  0  0  0999 V2000
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  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,736)
1736

>  <Formula> (1,736)
C4H9N3O2

>  <MolWeight> (1,736)
131.13316

>  <Item Name> (1,736)
Creatine

>  <Catalog Number> (1,736)
S5588

>  <Synonyms> (1,736)
Methylguanidoacetic acid

>  <Target> (1,736)
Others

>  <Form> (1,736)
free base

>  <URL> (1,736)
http://selleckchem.com/products/creatine.html

>  <CAS Number> (1,736)
57-00-1

$$$$
S5590 Camphene.cdx
csChFnd80/10101813242D

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    1.2366    3.4630    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.2402    4.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2297    2.0249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    1.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614    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  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  0  0  0  0
  3  8  1  0  0  0  0
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  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,737)
1737

>  <Formula> (1,737)
C10H16

>  <MolWeight> (1,737)
136.23404

>  <Item Name> (1,737)
Camphene

>  <Catalog Number> (1,737)
S5590

>  <Synonyms> (1,737)
N/A

>  <Target> (1,737)
Others

>  <Form> (1,737)
free base

>  <URL> (1,737)
http://selleckchem.com/products/camphene.html

>  <CAS Number> (1,737)
79-92-5

$$$$
S5594 ¦Á-Terpineol.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1483    4.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6429    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304    0.0104    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
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M  END
>  <Mol_ID> (1,738)
1738

>  <Formula> (1,738)
C10H18O

>  <MolWeight> (1,738)
154.24932

>  <Item Name> (1,738)
¦Á-Terpineol

>  <Catalog Number> (1,738)
S5594

>  <Synonyms> (1,738)
N/A

>  <Target> (1,738)
Others

>  <Form> (1,738)
free base

>  <URL> (1,738)
http://selleckchem.com/products/alpha-terpineol.html

>  <CAS Number> (1,738)
10482-56-1

$$$$
S5595 3-Carene.cdx
csChFnd80/10101813242D

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    2.4415    3.4852    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4583    4.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168    3.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9953    6.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8399    5.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2039    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,739)
1739

>  <Formula> (1,739)
C10H16

>  <MolWeight> (1,739)
136.23404

>  <Item Name> (1,739)
3-Carene

>  <Catalog Number> (1,739)
S5595

>  <Synonyms> (1,739)
Carene, Delta-3-Carene

>  <Target> (1,739)
Others

>  <Form> (1,739)
free base

>  <URL> (1,739)
http://selleckchem.com/products/3-carene.html

>  <CAS Number> (1,739)
13466-78-9

$$$$
S5596 (1S)-(-)-¦Á-Pinene.cdx
csChFnd80/10101813242D

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    0.1661    5.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5184    5.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2807    1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,740)
1740

>  <Formula> (1,740)
C10H16

>  <MolWeight> (1,740)
136.23404

>  <Item Name> (1,740)
(1S)-(-)-¦Á-Pinene

>  <Catalog Number> (1,740)
S5596

>  <Synonyms> (1,740)
N/A

>  <Target> (1,740)
Others

>  <Form> (1,740)
free base

>  <URL> (1,740)
http://selleckchem.com/products/1s-alpha-pinene.html

>  <CAS Number> (1,740)
785-26-4

$$$$
S5597 (1R)-(-)-Menthyl acetate.cdx
csChFnd80/10101813242D

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    6.0758    2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6481    2.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2097    2.1032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0101    2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,741)
1741

>  <Formula> (1,741)
C12H22O2

>  <MolWeight> (1,741)
198.30188

>  <Item Name> (1,741)
(1R)-(-)-Menthyl acetate

>  <Catalog Number> (1,741)
S5597

>  <Synonyms> (1,741)
N/A

>  <Target> (1,741)
Others

>  <Form> (1,741)
free base

>  <URL> (1,741)
http://selleckchem.com/products/ 1r-menthyl-acetate.html

>  <CAS Number> (1,741)
2623-23-6

$$$$
S5598 p-Cymene.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 C   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
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    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  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,742)
1742

>  <Formula> (1,742)
C10H14

>  <MolWeight> (1,742)
134.21816

>  <Item Name> (1,742)
p-Cymene

>  <Catalog Number> (1,742)
S5598

>  <Synonyms> (1,742)
4-Isopropyltoluene, 4-Methylcumene, Paracymene

>  <Target> (1,742)
Others

>  <Form> (1,742)
free base

>  <URL> (1,742)
http://selleckchem.com/products/p-cymene.html

>  <CAS Number> (1,742)
99-87-6

$$$$
S5599 Sodium cholate.cdx
csChFnd80/10101813242D

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.1253    2.7724    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3395    3.4603    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9163    3.4762    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1092    1.3700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3558    4.8518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6613    3.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6860    2.7886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9324    4.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    0.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3234    0.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6773    5.2656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1412    5.5771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3718    6.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4618    4.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697    1.4024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4824    3.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7019    4.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1503    6.6033    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1412    6.9796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4661    0.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2573    2.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5204    6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2206    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2412    1.3861    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9931    8.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3633    8.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2606    7.3395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8522    9.7037    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.1412    4.1749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3558    2.0687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    2.0687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6537    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2584    9.7533    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  0  0  0  0
  1 30  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 31  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 32  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  6  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  1  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  1  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 14  1  1  0  0  0
 12 19  1  6  0  0  0
 15 20  1  0  0  0  0
 15 33  1  1  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  6  0  0  0
 20 24  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,743)
1743

>  <Formula> (1,743)
C24H39NaO5

>  <MolWeight> (1,743)
430.55323

>  <Item Name> (1,743)
Sodium cholate

>  <Catalog Number> (1,743)
S5599

>  <Synonyms> (1,743)
N/A

>  <Target> (1,743)
Others

>  <Form> (1,743)
sodium salt

>  <URL> (1,743)
http://selleckchem.com/products/sodium-cholate.html

>  <CAS Number> (1,743)
361-09-1

$$$$
S5614 (+)-Longifolene.cdx
csChFnd80/10101813242D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.3982    1.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2212    2.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6074    1.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6072    4.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    2.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1877    3.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9723    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9725    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668    3.6730    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0670    2.2730    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0670    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3982    4.1056    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9721    5.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9721    4.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7597    5.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668    5.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8 11  1  0  0  0  0
 11 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 13  1  0  0  0  0
  1 11  1  0  0  0  0
 13  2  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  8  4  1  0  0  0  0
 15  5  1  0  0  0  0
  8  6  1  1  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
 13  6  1  1  0  0  0
 11 12  1  6  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 10 17  1  6  0  0  0
M  END
>  <Mol_ID> (1,744)
1744

>  <Formula> (1,744)
C15H24

>  <MolWeight> (1,744)
204.35106

>  <Item Name> (1,744)
(+)-Longifolene

>  <Catalog Number> (1,744)
S5614

>  <Synonyms> (1,744)
N/A

>  <Target> (1,744)
Others

>  <Form> (1,744)
free base

>  <URL> (1,744)
http://selleckchem.com/products/longifolene.html

>  <CAS Number> (1,744)
475-20-7

$$$$
S5618 Hippuric acid.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4282    2.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    2.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    2.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    2.0970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    4.1979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0038    2.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0681    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    2.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4812    2.7991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    0.6955    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  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,745)
1745

>  <Formula> (1,745)
C9H9NO3

>  <MolWeight> (1,745)
179.17266

>  <Item Name> (1,745)
Hippuric acid

>  <Catalog Number> (1,745)
S5618

>  <Synonyms> (1,745)
2-Benzamidoacetic acid, Benzoylglycine

>  <Target> (1,745)
Others

>  <Form> (1,745)
free base

>  <URL> (1,745)
http://selleckchem.com/products/hippuric-acid.html

>  <CAS Number> (1,745)
495-69-2

$$$$
S5628 L-Valine.cdx
csChFnd80/10101813242D

  8  7  0  0  0  0  0  0  0  0999 V2000
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  1  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
    1.2124    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
    3.6373    0.0000    0.0000 O   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  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
  4  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,746)
1746

>  <Formula> (1,746)
C5H11NO2

>  <MolWeight> (1,746)
117.14634

>  <Item Name> (1,746)
L-Valine

>  <Catalog Number> (1,746)
S5628

>  <Synonyms> (1,746)
N/A

>  <Target> (1,746)
Others

>  <Form> (1,746)
free base

>  <URL> (1,746)
http://selleckchem.com/products/l-valine.html

>  <CAS Number> (1,746)
72-18-4

$$$$
S5629 L-Proline.cdx
csChFnd80/10101813242D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2155    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4280    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.5302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6404    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4280    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022    3.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,747)
1747

>  <Formula> (1,747)
C5H9NO2

>  <MolWeight> (1,747)
115.13046

>  <Item Name> (1,747)
L-Proline

>  <Catalog Number> (1,747)
S5629

>  <Synonyms> (1,747)
N/A

>  <Target> (1,747)
Others

>  <Form> (1,747)
free base

>  <URL> (1,747)
http://selleckchem.com/products/l-proline.html

>  <CAS Number> (1,747)
147-85-3

$$$$
S5630 L-lysine.cdx
csChFnd80/10101813242D

 10  9  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0654    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0632    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    1.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2725    3.5019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4881    1.4037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  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
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,748)
1748

>  <Formula> (1,748)
C6H14N2O2

>  <MolWeight> (1,748)
146.18756

>  <Item Name> (1,748)
L-lysine

>  <Catalog Number> (1,748)
S5630

>  <Synonyms> (1,748)
N/A

>  <Target> (1,748)
Others

>  <Form> (1,748)
free base

>  <URL> (1,748)
http://selleckchem.com/products/l-proline.html

>  <CAS Number> (1,748)
56-87-1

$$$$
S5631 L-Alanine.cdx
csChFnd80/10101813242D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.2138    1.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4275    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
M  END
>  <Mol_ID> (1,749)
1749

>  <Formula> (1,749)
C3H7NO2

>  <MolWeight> (1,749)
89.09318

>  <Item Name> (1,749)
L-Alanine

>  <Catalog Number> (1,749)
S5631

>  <Synonyms> (1,749)
N/A

>  <Target> (1,749)
Others

>  <Form> (1,749)
free base

>  <URL> (1,749)
http://selleckchem.com/products/l-alanine.html

>  <CAS Number> (1,749)
 56-41-7

$$$$
S5632 L-aspartic Acid.cdx
csChFnd80/10101813242D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6380    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,750)
1750

>  <Formula> (1,750)
C4H7NO4

>  <MolWeight> (1,750)
133.10268

>  <Item Name> (1,750)
L-aspartic Acid

>  <Catalog Number> (1,750)
S5632

>  <Synonyms> (1,750)
N/A

>  <Target> (1,750)
Others

>  <Form> (1,750)
free base

>  <URL> (1,750)
http://selleckchem.com/products/l-aspartic-acid.html

>  <CAS Number> (1,750)
56-84-8

$$$$
S5633 L-methionine.cdx
csChFnd80/10101813242D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.8508    1.3994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0636    2.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    2.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2763    1.3994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0636    3.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    2.0989    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3994    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  1  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,751)
1751

>  <Formula> (1,751)
C5H11NO2S

>  <MolWeight> (1,751)
149.21134

>  <Item Name> (1,751)
L-methionine

>  <Catalog Number> (1,751)
S5633

>  <Synonyms> (1,751)
N/A

>  <Target> (1,751)
Others

>  <Form> (1,751)
free base

>  <URL> (1,751)
http://selleckchem.com/products/l-methionine.html

>  <CAS Number> (1,751)
63-68-3

$$$$
S5634 L-arginine.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.0633    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8523    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4896    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7006    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4896    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    3.4998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  1  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
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 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,752)
1752

>  <Formula> (1,752)
C6H14N4O2

>  <MolWeight> (1,752)
174.20096

>  <Item Name> (1,752)
L-arginine

>  <Catalog Number> (1,752)
S5634

>  <Synonyms> (1,752)
N/A

>  <Target> (1,752)
Others

>  <Form> (1,752)
free base

>  <URL> (1,752)
http://selleckchem.com/products/l-arginine.html

>  <CAS Number> (1,752)
74-79-3

$$$$
S5635 L-cysteine.cdx
csChFnd80/10101813242D

  7  6  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
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  1  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    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,753)
1753

>  <Formula> (1,753)
C3H7NO2S

>  <MolWeight> (1,753)
121.15818

>  <Item Name> (1,753)
L-cysteine

>  <Catalog Number> (1,753)
S5635

>  <Synonyms> (1,753)
N/A

>  <Target> (1,753)
Others

>  <Form> (1,753)
free base

>  <URL> (1,753)
http://selleckchem.com/products/l-cysteine.html

>  <CAS Number> (1,753)
 52-90-4

$$$$
S5636 Methyl furan-2-carboxylate.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
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    3.5544    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2544    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6544    2.4249    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
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  1  5  1  0  0  0  0
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  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,754)
1754

>  <Formula> (1,754)
C6H6O3

>  <MolWeight> (1,754)
126.11004

>  <Item Name> (1,754)
Methyl furan-2-carboxylate

>  <Catalog Number> (1,754)
S5636

>  <Synonyms> (1,754)
Methyl pyromucate, Methyl 2-furoate

>  <Target> (1,754)
Others

>  <Form> (1,754)
free base

>  <URL> (1,754)
http://selleckchem.com/products/methyl-furan-2-carboxylate.html

>  <CAS Number> (1,754)
611-13-2

$$$$
UM-164.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,755)
1755

>  <Formula> (1,755)
C30H31F3N8O3S

>  <MolWeight> (1,755)
640.6791496

>  <Item Name> (1,755)
UM-164

>  <Catalog Number> (1,755)
S8706

>  <Synonyms> (1,755)
N/A

>  <Target> (1,755)
Src,p38 MAPK

>  <Form> (1,755)
free base

>  <URL> (1,755)
http://selleckchem.com/products/um-164.html

>  <CAS Number> (1,755)
903564-48-7

$$$$
>  <Mol_ID> (1,756)
1756

>  <Item Name> (1,756)
Tetrahydrocurcumin

>  <Catalog Number> (1,756)
S3917

>  <Synonyms> (1,756)
Tetrahydrodiferuloylmethane

>  <Target> (1,756)
others

>  <URL> (1,756)
http://selleckchem.com/products/.html

>  <CAS Number> (1,756)
36062-04-1

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,757)
1757

>  <Formula> (1,757)
C20H18O6

>  <MolWeight> (1,757)
354.35332

>  <Item Name> (1,757)
Acetyl Resveratrol

>  <Catalog Number> (1,757)
S3934

>  <Synonyms> (1,757)
N/A

>  <Target> (1,757)
Sirt12

>  <Form> (1,757)
free base

>  <URL> (1,757)
http://selleckchem.com/products/.html

>  <CAS Number> (1,757)
42206-94-0

$$$$
S3935 Nonivamide.cdx
csChFnd80/10101813242D

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   13.3363    2.1338    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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M  END
>  <Mol_ID> (1,758)
1758

>  <Formula> (1,758)
C17H27NO3

>  <MolWeight> (1,758)
293.40118

>  <Item Name> (1,758)
Nonivamide

>  <Catalog Number> (1,758)
S3935

>  <Synonyms> (1,758)
?Pseudocapsaicin; Pelargonic acid vanillylamide; Nonanoic acid vanillylamide

>  <Target> (1,758)
TRP Channel

>  <Form> (1,758)
free base

>  <URL> (1,758)
http://selleckchem.com/products/.html

>  <CAS Number> (1,758)
2444-46-4

$$$$
S3936 7-Hydroxycarbostyril.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4258    2.7695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,759)
1759

>  <Formula> (1,759)
C9H7NO2

>  <MolWeight> (1,759)
161.15738

>  <Item Name> (1,759)
7-Hydroxycarbostyril

>  <Catalog Number> (1,759)
S3936

>  <Synonyms> (1,759)
N/A

>  <Target> (1,759)
others

>  <Form> (1,759)
free base

>  <URL> (1,759)
http://selleckchem.com/products/.html

>  <CAS Number> (1,759)
70500-72-0

$$$$
S3937 Pterostilbene.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,760)
1760

>  <Formula> (1,760)
C16H16O3

>  <MolWeight> (1,760)
256.29644

>  <Item Name> (1,760)
Pterostilbene

>  <Catalog Number> (1,760)
S3937

>  <Synonyms> (1,760)
N/A

>  <Target> (1,760)
autophagy

>  <Form> (1,760)
free base

>  <URL> (1,760)
http://selleckchem.com/products/.html

>  <CAS Number> (1,760)
537-42-8

$$$$
S3966 Nifuratel.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,761)
1761

>  <Formula> (1,761)
C10H11N3O5S

>  <MolWeight> (1,761)
285.27644

>  <Item Name> (1,761)
Nifuratel

>  <Catalog Number> (1,761)
S3966

>  <Synonyms> (1,761)
N/A

>  <Target> (1,761)
Antibacterial

>  <Form> (1,761)
free base

>  <URL> (1,761)
http://selleckchem.com/products/.html

>  <CAS Number> (1,761)
4936-47-4

$$$$
S4891 1-Aminohydantoin Hydrochloride.cdx
csChFnd80/10101813242D

  9  8  0  0  0  0  0  0  0  0999 V2000
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    2.4620    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0019    3.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,762)
1762

>  <Formula> (1,762)
C3H6ClN3O2

>  <MolWeight> (1,762)
151.55164

>  <Item Name> (1,762)
1-Aminohydantoin Hydrochloride

>  <Catalog Number> (1,762)
S4891

>  <Synonyms> (1,762)
N/A

>  <Target> (1,762)
Others

>  <URL> (1,762)
http://selleckchem.com/products/1-aminohydantoin-hydrochloride.html

>  <CAS Number> (1,762)
2827-56-7

$$$$
S4984 2,2'-Cyclouridine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,763)
1763

>  <Formula> (1,763)
C9H10N2O5

>  <MolWeight> (1,763)
226.1861

>  <Item Name> (1,763)
2,2'-Cyclouridine

>  <Catalog Number> (1,763)
S4984

>  <Target> (1,763)
Others

>  <Form> (1,763)
free base

>  <URL> (1,763)
http://selleckchem.com/products/2-2-cyclouridine.html

>  <CAS Number> (1,763)
3736-77-4

$$$$
S4998 2-Aminobenzenesulfonamide.cdx
csChFnd80/10101813242D

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    2.4306    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,764)
1764

>  <Formula> (1,764)
C6H8N2O2S

>  <MolWeight> (1,764)
172.20492

>  <Item Name> (1,764)
2-Aminobenzenesulfonamide

>  <Catalog Number> (1,764)
S4998

>  <Synonyms> (1,764)
Orthanilamide

>  <Target> (1,764)
DHPS

>  <URL> (1,764)
http://selleckchem.com/products/.html

>  <CAS Number> (1,764)
3306-62-5

$$$$
S5102 Stachyose.cdx
csChFnd80/10101813242D

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>  <Formula> (1,765)
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>  <Item Name> (1,765)
Stachyose

>  <Catalog Number> (1,765)
S5102

>  <Synonyms> (1,765)
N/A

>  <Target> (1,765)
others

>  <Form> (1,765)
free base

>  <URL> (1,765)
http://selleckchem.com/products/.html

>  <CAS Number> (1,765)
10094-58-3

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/10101813242D

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>  <Formula> (1,766)
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Nilotinib hydrochloride

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>  <Synonyms> (1,766)
AMN-107 HCl

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Bcr-Abl

>  <Form> (1,766)
hydrochloride 

>  <URL> (1,766)
http://selleckchem.com/products/nilotinib-hydrochloride.html

>  <CAS Number> (1,766)
923288-95-3

$$$$
S5239 Paroxetine mesylate.cdx
csChFnd80/10101813242D

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>  <Synonyms> (1,767)
N/A

>  <Target> (1,767)
5-HT Receptor

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Mesylate

>  <URL> (1,767)
http://selleckchem.com/products/paroxetine-mesylate.html

>  <CAS Number> (1,767)
217797-14-3

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/10101813242D

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VEGFR

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http://selleckchem.com/products/lenvatinib-mesylate.html

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 857890-39-2

$$$$
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Selamectin

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>  <Synonyms> (1,769)
N/A

>  <Target> (1,769)
others

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free base

>  <URL> (1,769)
http://selleckchem.com/products/.html

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 220119-17-5

$$$$
S5259 ¦Â-Nicotinamide Mononucleotide.cdx
csChFnd80/10101813242D

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C11H15N2O8P

>  <MolWeight> (1,770)
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¦Â-Nicotinamide Mononucleotide

>  <Catalog Number> (1,770)
S5259

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inner salt

>  <CAS Number> (1,770)
1094-61-7

$$$$
S5265 TBB.cdx
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TBB

>  <Catalog Number> (1,771)
S5265

>  <Synonyms> (1,771)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (1,771)
Casein Kinase

>  <URL> (1,771)
http://selleckchem.com/products/tbb.html

>  <CAS Number> (1,771)
17374-26-4

$$$$
S5267 Nylidrin Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,772)
1772

>  <Formula> (1,772)
C19H26ClNO2

>  <MolWeight> (1,772)
335.86824

>  <Item Name> (1,772)
Nylidrin Hydrochloride

>  <Catalog Number> (1,772)
S5267

>  <Synonyms> (1,772)
Buphenine hydrochloride

>  <Target> (1,772)
¦Â-adrenergic receptor

>  <Form> (1,772)
hydrochloride 

>  <URL> (1,772)
http://selleckchem.com/products/.html

>  <CAS Number> (1,772)
849-55-8

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,773)
1773

>  <Formula> (1,773)
C22H28FN4O6P

>  <MolWeight> (1,773)
494.4530842

>  <Item Name> (1,773)
Toceranib phosphate

>  <Catalog Number> (1,773)
S5272

>  <Synonyms> (1,773)
SU11654

>  <Target> (1,773)
PDGFR¦Â

>  <Form> (1,773)
phosphate 

>  <URL> (1,773)
http://selleckchem.com/products/.html

>  <CAS Number> (1,773)
874819-74-6

$$$$
S5326 Dolasetron.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,774)
1774

>  <Formula> (1,774)
C19H20N2O3

>  <MolWeight> (1,774)
324.3737

>  <Item Name> (1,774)
Dolasetron

>  <Catalog Number> (1,774)
S5326

>  <Synonyms> (1,774)
MDL-73147

>  <Target> (1,774)
5-HT3

>  <Form> (1,774)
free base

>  <URL> (1,774)
http://selleckchem.com/products/.html

>  <CAS Number> (1,774)
115956-12-2

$$$$
S5351 Cefmetazole sodium.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,775)
1775

>  <Formula> (1,775)
C15H16N7NaO5S3

>  <MolWeight> (1,775)
493.51621

>  <Item Name> (1,775)
Cefmetazole sodium

>  <Catalog Number> (1,775)
S5351

>  <Synonyms> (1,775)
Sodium cefmetazole

>  <Target> (1,775)
others

>  <Form> (1,775)
sodium salt

>  <URL> (1,775)
http://selleckchem.com/products/.html

>  <CAS Number> (1,775)
56796-39-5

$$$$
S5352 Cefminox Sodium.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,776)
1776

>  <Formula> (1,776)
C16H20N7NaO7S3

>  <MolWeight> (1,776)
541.55747

>  <Item Name> (1,776)
Cefminox Sodium

>  <Catalog Number> (1,776)
S5352

>  <Synonyms> (1,776)
Meicelin, MT-141

>  <Target> (1,776)
Anti-infection

>  <Form> (1,776)
sodium salt

>  <URL> (1,776)
http://selleckchem.com/products/cefminox-sodium.html

>  <CAS Number> (1,776)
75498-96-3 

$$$$
S5356 Ceftiofur.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,777)
1777

>  <Formula> (1,777)
C19H17N5O7S3

>  <MolWeight> (1,777)
523.56258

>  <Item Name> (1,777)
Ceftiofur

>  <Catalog Number> (1,777)
S5356

>  <Synonyms> (1,777)
N/A

>  <Target> (1,777)
Anti-infection

>  <Form> (1,777)
free base

>  <URL> (1,777)
http://selleckchem.com/products/ceftiofur.html

>  <CAS Number> (1,777)
80370-57-6 

$$$$
S5357 Safinamide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,778)
1778

>  <Formula> (1,778)
C17H19FN2O2

>  <MolWeight> (1,778)
302.3433632

>  <Item Name> (1,778)
Safinamide

>  <Catalog Number> (1,778)
S5357

>  <Synonyms> (1,778)
EMD-1195686, PNU-15774E

>  <Target> (1,778)
MAO

>  <Form> (1,778)
free base

>  <URL> (1,778)
http://selleckchem.com/products/safinamide.html

>  <CAS Number> (1,778)
133865-89-1

$$$$
S5358 Regadenoson.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,779)
1779

>  <Formula> (1,779)
C15H18N8O5

>  <MolWeight> (1,779)
390.35402

>  <Item Name> (1,779)
Regadenoson

>  <Catalog Number> (1,779)
S5358

>  <Synonyms> (1,779)
CVT-3146, Lexiscan

>  <Target> (1,779)
Adenosine Receptor

>  <Form> (1,779)
free base

>  <URL> (1,779)
http://selleckchem.com/products/regadenoson.html

>  <CAS Number> (1,779)
313348-27-5  

$$$$
S5360 Diflorasone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,780)
1780

>  <Formula> (1,780)
C22H28F2O5

>  <MolWeight> (1,780)
410.4515264

>  <Item Name> (1,780)
Diflorasone

>  <Catalog Number> (1,780)
S5360

>  <Synonyms> (1,780)
N/A

>  <Target> (1,780)
Glucocorticoid receptor

>  <Form> (1,780)
free base

>  <URL> (1,780)
http://selleckchem.com/products/.html

>  <CAS Number> (1,780)
2557-49-5

$$$$
S5361 Bendazac.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,781)
1781

>  <Formula> (1,781)
C16H14N2O3

>  <MolWeight> (1,781)
282.29396

>  <Item Name> (1,781)
Bendazac

>  <Catalog Number> (1,781)
S5361

>  <Synonyms> (1,781)
bendazolic acid, AF-983

>  <Target> (1,781)
Immunology & Inflammation related

>  <Form> (1,781)
free base

>  <URL> (1,781)
http://selleckchem.com/products/bendazac.html

>  <CAS Number> (1,781)
20187-55-7

$$$$
S5369 Ethoxyquin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,782)
1782

>  <Formula> (1,782)
C14H19NO

>  <MolWeight> (1,782)
217.30676

>  <Item Name> (1,782)
Ethoxyquin

>  <Catalog Number> (1,782)
S5369

>  <Form> (1,782)
free base

>  <CAS Number> (1,782)
91-53-2

$$$$
S5373 Pseudolaric Acid B.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,783)
1783

>  <Formula> (1,783)
C23H28O8

>  <MolWeight> (1,783)
432.46362

>  <Item Name> (1,783)
Pseudolaric Acid B

>  <Catalog Number> (1,783)
S5373

>  <Synonyms> (1,783)
N/A

>  <Target> (1,783)
p38

>  <Form> (1,783)
S5369

>  <URL> (1,783)
http://selleckchem.com/products/.html

>  <CAS Number> (1,783)
82508-31-4 

$$$$
S5388 Betrixaban.cdx
csChFnd80/10101813242D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,784)
1784

>  <Formula> (1,784)
C23H22ClN5O3

>  <MolWeight> (1,784)
451.90548

>  <Item Name> (1,784)
Betrixaban

>  <Catalog Number> (1,784)
S5388

>  <Synonyms> (1,784)
PRT054021

>  <Target> (1,784)
factor Xa(fXa)

>  <Form> (1,784)
free base

>  <URL> (1,784)
http://selleckchem.com/products/.html

>  <CAS Number> (1,784)
330942-05-7

$$$$
S5389 Betrixaban maleate.cdx
csChFnd80/10101813242D

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N/A

>  <Target> (1,785)
factor Xa?(fXa)

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maleate

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

>  <CAS Number> (1,785)
936539-80-9

$$$$
S5393 Cyclofenil.cdx
csChFnd80/10101813242D

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Cyclofenil

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estrogen receptor

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free base

>  <URL> (1,786)
http://selleckchem.com/products/.html

>  <CAS Number> (1,786)
2624-43-3

$$$$
S5405 Propylparaben.cdx
csChFnd80/10101813242D

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S5405

>  <Synonyms> (1,787)
4-Hydroxybenzoes?urepropylester

>  <Target> (1,787)
others

>  <URL> (1,787)
http://selleckchem.com/products/.html

>  <CAS Number> (1,787)
94-13-3

$$$$
S5411 Sultamicillin.cdx
csChFnd80/10101813242D

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>  <Formula> (1,788)
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S5411

>  <Form> (1,788)
free base

>  <CAS Number> (1,788)
76497-13-7

$$$$
S5412 Loxoprofen sodium.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,793)
1793

>  <Formula> (1,793)
C25H19N3O4

>  <MolWeight> (1,793)
425.43606

>  <Item Name> (1,793)
CID16020046 (CID 16020046)

>  <Catalog Number> (1,793)
S8694

>  <Synonyms> (1,793)
N/A

>  <Target> (1,793)
GPR55

>  <Form> (1,793)
free base

>  <URL> (1,793)
http://selleckchem.com/products/.html

>  <CAS Number> (1,793)
834903-43-4

$$$$
S5414 Diflucortolone valerate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,794)
1794

>  <Formula> (1,794)
C27H36F2O5

>  <MolWeight> (1,794)
478.5685464

>  <Item Name> (1,794)
Diflucortolone valerate

>  <Catalog Number> (1,794)
S5414

>  <Target> (1,794)
Others

>  <Form> (1,794)
free base

>  <URL> (1,794)
http://selleckchem.com/products/diflucortolone-valerate.html

>  <CAS Number> (1,794)
59198-70-8

$$$$
>  <Mol_ID> (1,795)
1795

>  <Item Name> (1,795)
Enoxaparin sodium

>  <Catalog Number> (1,795)
S5415

>  <Form> (1,795)
free base

>  <CAS Number> (1,795)
679809-58-6

$$$$
S5466 Saikosaponin A.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,796)
1796

>  <Formula> (1,796)
C42H68O13

>  <MolWeight> (1,796)
780.98152

>  <Item Name> (1,796)
Saikosaponin A

>  <Catalog Number> (1,796)
S5466

>  <Synonyms> (1,796)
N/A

>  <Target> (1,796)
NF-¦ÊB

>  <Form> (1,796)
free base

>  <URL> (1,796)
http://selleckchem.com/products/.html

>  <CAS Number> (1,796)
20736-09-8

$$$$
S5482 Prilocaine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,797)
1797

>  <Formula> (1,797)
C13H21ClN2O

>  <MolWeight> (1,797)
256.77164

>  <Item Name> (1,797)
Prilocaine hydrochloride

>  <Catalog Number> (1,797)
S5482

>  <Synonyms> (1,797)
N/A

>  <Target> (1,797)
Sodium channel

>  <Form> (1,797)
hydrochloride 

>  <URL> (1,797)
http://selleckchem.com/products/.html

>  <CAS Number> (1,797)
1786-81-8

$$$$
S5493 Atropine sulfate.cdx
csChFnd80/10101813242D

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1798

>  <Formula> (1,798)
C34H48N2O10S

>  <MolWeight> (1,798)
676.81732

>  <Item Name> (1,798)
Atropine sulfate

>  <Catalog Number> (1,798)
S5493

>  <Synonyms> (1,798)
Sulfatropinol

>  <Target> (1,798)
Muscarinic AChR

>  <Form> (1,798)
sulfate 

>  <URL> (1,798)
http://selleckchem.com/products/.html

>  <CAS Number> (1,798)
 55-48-1

$$$$
S5394 Tizoxanide.cdx
csChFnd80/10101813242D

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>  <Formula> (1,799)
C10H7N3O4S

>  <MolWeight> (1,799)
265.24528

>  <Item Name> (1,799)
 Tizoxanide

>  <Catalog Number> (1,799)
S5394

>  <Target> (1,799)
HCV Protease

>  <Form> (1,799)
free base

>  <URL> (1,799)
http://selleckchem.com/products/tizoxanide.html

>  <CAS Number> (1,799)
173903-47-4

$$$$
S5647 Emedastine Difumarate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,800)
1800

>  <Formula> (1,800)
C25H34N4O9

>  <MolWeight> (1,800)
534.55886

>  <Item Name> (1,800)
Emedastine Difumarate

>  <Catalog Number> (1,800)
S5647

>  <Synonyms> (1,800)
Rapimine, Emedastine fumarate

>  <Target> (1,800)
Histamine Receptor

>  <URL> (1,800)
http://selleckchem.com/products/emedastine-difumarate.html

>  <CAS Number> (1,800)
87233-62-3

$$$$
S5648 Iguratimod.cdx
csChFnd80/10101813242D

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>  <Synonyms> (1,801)
T-614

>  <Target> (1,801)
Immunology & Inflammation related

>  <Form> (1,801)
free base

>  <URL> (1,801)
http://selleckchem.com/products/iguratimod.html

>  <CAS Number> (1,801)
123663-49-0

$$$$
S5651 Dexrazoxane.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,802)
1802

>  <Formula> (1,802)
C11H16N4O4

>  <MolWeight> (1,802)
268.26914

>  <Item Name> (1,802)
Dexrazoxane

>  <Catalog Number> (1,802)
S5651

>  <Synonyms> (1,802)
ICRF-187

>  <Target> (1,802)
Others

>  <Form> (1,802)
free base

>  <URL> (1,802)
http://selleckchem.com/products/dexrazoxane.html

>  <CAS Number> (1,802)
24584-09-6

$$$$
S5712 Zofenopril calcium.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,803)
1803

>  <Formula> (1,803)
C44H44CaN2O8S4

>  <MolWeight> (1,803)
897.16676

>  <Item Name> (1,803)
Zofenopril calcium

>  <Catalog Number> (1,803)
S5712

>  <Form> (1,803)
calcium salt

>  <CAS Number> (1,803)
81938-43-4 

$$$$
CCT245737.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,804)
1804

>  <Formula> (1,804)
C16H16F3N7O

>  <MolWeight> (1,804)
379.3397496

>  <Item Name> (1,804)
CCT245737 

>  <Catalog Number> (1,804)
S8253

>  <Synonyms> (1,804)
N/A

>  <Target> (1,804)
Chk

>  <Form> (1,804)
free base

>  <URL> (1,804)
http://www.selleckchem.com/products/cct245737.html

>  <CAS Number> (1,804)
1489389-18-5

$$$$
S4653 L-Ornithine hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,805)
1805

>  <Formula> (1,805)
C5H13ClN2O2

>  <MolWeight> (1,805)
168.62192

>  <Item Name> (1,805)
L-Ornithine hydrochloride

>  <Catalog Number> (1,805)
S4653

>  <Form> (1,805)
hydrochloride 

>  <CAS Number> (1,805)
3184-13-2

$$$$
S5494 Salbutamol.cdx
csChFnd80/10101813242D

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   10.9107    1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3982    3.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9982    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  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
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,806)
1806

>  <Formula> (1,806)
C13H21NO3

>  <MolWeight> (1,806)
239.31074

>  <Item Name> (1,806)
Salbutamol

>  <Catalog Number> (1,806)
S5494

>  <Synonyms> (1,806)
Albuterol; AH-3365

>  <Target> (1,806)
¦Â-adrenergic receptor

>  <Form> (1,806)
free base

>  <URL> (1,806)
http://selleckchem.com/products/.html

>  <CAS Number> (1,806)
18559-94-9

$$$$
S5500 Amodiaquine hydrochloride.cdx
csChFnd80/10101813242D

 27 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 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
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    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    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
    0.0000    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    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
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  7  1  1  0  0  0  0
  2 10  2  0  0  0  0
 11  2  1  0  0  0  0
  2  9  1  0  0  0  0
  5  3  1  0  0  0  0
 16  3  1  0  0  0  0
  6  4  1  0  0  0  0
  8  4  2  0  0  0  0
 12  5  1  0  0  0  0
  6 14  2  0  0  0  0
 17  7  2  0  0  0  0
 18  8  1  0  0  0  0
  9 13  2  0  0  0  0
 21  9  1  0  0  0  0
 10 12  1  0  0  0  0
 15 11  1  0  0  0  0
 19 12  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 20 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  1  0  0  0  0
 16 18  2  0  0  0  0
 25 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,807)
1807

>  <Formula> (1,807)
C20H24Cl3N3O

>  <MolWeight> (1,807)
428.78306

>  <Item Name> (1,807)
Amodiaquine hydrochloride

>  <Catalog Number> (1,807)
S5500

>  <Synonyms> (1,807)
N/A

>  <Target> (1,807)
HnMT

>  <Form> (1,807)
dihydrochloride 

>  <URL> (1,807)
http://selleckchem.com/products/.html

>  <CAS Number> (1,807)
69-44-3

$$$$
S5537 Tizanidine.cdx
csChFnd80/10101813242D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.5609    2.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    2.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5609    0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8814    2.5613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    4.2284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    2.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3449    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926    0.2700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6922    1.4030    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1601    4.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9188    2.8356    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0586    6.3418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8976    4.4119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  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  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,808)
1808

>  <Formula> (1,808)
C9H8ClN5S

>  <MolWeight> (1,808)
253.71132

>  <Item Name> (1,808)
Tizanidine

>  <Catalog Number> (1,808)
S5537

>  <CAS Number> (1,808)
51322-75-9

$$$$
S5540 Landiolol hydrochloride.cdx
csChFnd80/10101813242D

 37 38  0  0  0  0  0  0  0  0999 V2000
    7.2156    2.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4277    2.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6397    2.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2156    0.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0035    2.7358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8518    2.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8518    4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0467    4.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2473    4.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2473    2.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0348    2.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4654    4.8953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6745    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0994    4.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5238    4.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8881    6.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5793    2.7358    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4324    4.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
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  6 11  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
 17 18  1  0  0  0  0
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 15 16  1  0  0  0  0
 14 28  1  1  0  0  0
  9 12  1  0  0  0  0
  3  6  1  0  0  0  0
  5 29  1  0  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 33 34  1  0  0  0  0
 34 30  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (1,809)
1809

>  <Formula> (1,809)
C25H40ClN3O8

>  <MolWeight> (1,809)
546.0534

>  <Item Name> (1,809)
Landiolol hydrochloride

>  <Catalog Number> (1,809)
S5540

>  <Synonyms> (1,809)
N/A

>  <Target> (1,809)
others

>  <Form> (1,809)
hydrochloride 

>  <URL> (1,809)
http://selleckchem.com/products/.html

>  <CAS Number> (1,809)
144481-98-1

$$$$
S5542 7-Nitroindazole.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
    3.7563    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5792    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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    0.0000    0.0000 O   0  5  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  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,810)
1810

>  <Formula> (1,810)
C7H5N3O2

>  <MolWeight> (1,810)
163.1335

>  <Item Name> (1,810)
7-Nitroindazole

>  <Catalog Number> (1,810)
S5542

>  <Synonyms> (1,810)
N/A

>  <Target> (1,810)
neuronal?nitric oxide synthase

>  <Form> (1,810)
free base

>  <URL> (1,810)
http://selleckchem.com/products/.html

>  <CAS Number> (1,810)
2942-42-9

$$$$
S5559 Tetrahydropalmatine.cdx
csChFnd80/10101813242D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2654    2.7956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2642    4.1956    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4760    4.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0536    2.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393    4.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0512    4.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6860    6.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,816)
1816

>  <Formula> (1,816)
C32H31BrN2O2

>  <MolWeight> (1,816)
555.50474

>  <Item Name> (1,816)
Bedaquiline

>  <Catalog Number> (1,816)
S5623

>  <Synonyms> (1,816)
TMC207; R207910

>  <Target> (1,816)
tuberculosis

>  <Form> (1,816)
free base

>  <URL> (1,816)
http://selleckchem.com/products/.html

>  <CAS Number> (1,816)
843663-66-1

$$$$
S5626 Benzalkonium chloride.cdx
csChFnd80/10101813242D

 18 16  0  0  0  0  0  0  0  0999 V2000
    1.2094    3.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0592    1.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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A   18
2-7
M  END
>  <Mol_ID> (1,817)
1817

>  <Formula> (1,817)
C15H26ClNR

>  <MolWeight> (1,817)
255.82664

>  <Item Name> (1,817)
Benzalkonium chloride

>  <Catalog Number> (1,817)
S5626

>  <Synonyms> (1,817)
N/A

>  <Target> (1,817)
Immunology & Inflammation related

>  <Form> (1,817)
free base

>  <URL> (1,817)
http://selleckchem.com/products/.html

>  <CAS Number> (1,817)
63449-41-2

$$$$
S5639 3,4-Dihydroxyphenylacetic acid.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,818)
1818

>  <Formula> (1,818)
C8H8O4

>  <MolWeight> (1,818)
168.14672

>  <Item Name> (1,818)
3,4-Dihydroxyphenylacetic acid

>  <Catalog Number> (1,818)
S5639

>  <Synonyms> (1,818)
N/A

>  <Target> (1,818)
others

>  <Form> (1,818)
free base

>  <URL> (1,818)
http://selleckchem.com/products/.html

>  <CAS Number> (1,818)
102-32-9

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/10101813242D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,819)
1819

>  <Formula> (1,819)
C30H34N8O3

>  <MolWeight> (1,819)
554.64276

>  <Item Name> (1,819)
Lazertinib (YH25448,GNS-1480)

>  <Catalog Number> (1,819)
S8724

>  <Form> (1,819)
free base

>  <CAS Number> (1,819)
1903008-80-9

$$$$
S5353 Cefpiramide sodium.cdx
csChFnd80/10101813242D

 44 47  0  0  0  0  0  0  0  0999 V2000
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74849-93-7 

$$$$
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HDAC8

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1417997-93-3

$$$$
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1698878-14-6

$$$$
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852391-15-2

$$$$
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M  END
>  <Mol_ID> (1,824)
1824

>  <Formula> (1,824)
C31H46O2

>  <MolWeight> (1,824)
450.69574

>  <Item Name> (1,824)
Vitamin K1

>  <Catalog Number> (1,824)
S4698

>  <Synonyms> (1,824)
N/A

>  <Target> (1,824)
Osteocalcin

>  <URL> (1,824)
http://selleckchem.com/products/.html

>  <CAS Number> (1,824)
84-80-0

$$$$
S4855 Eluxadoline.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,825)
1825

>  <Formula> (1,825)
C32H35N5O5

>  <MolWeight> (1,825)
569.6508

>  <Item Name> (1,825)
Eluxadoline

>  <Catalog Number> (1,825)
S4855

>  <Synonyms> (1,825)
JNJ-27018966

>  <Target> (1,825)
opioid receptor

>  <URL> (1,825)
http://selleckchem.com/products/.html

>  <CAS Number> (1,825)
864821-90-9

$$$$
S4933 Lithium carbonate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,826)
1826

>  <Formula> (1,826)
CHLi2O3

>  <MolWeight> (1,826)
74.89884

>  <Item Name> (1,826)
Lithium carbonate

>  <Catalog Number> (1,826)
S4933

>  <Synonyms> (1,826)
Lithobid

>  <Target> (1,826)
Others

>  <URL> (1,826)
http://selleckchem.com/products/.html

>  <CAS Number> (1,826)
554-13-2

$$$$
S4986 Latamoxef sodium.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,827)
1827

>  <Formula> (1,827)
C20H18N6Na2O9S

>  <MolWeight> (1,827)
564.43626

>  <Item Name> (1,827)
Latamoxef sodium

>  <Catalog Number> (1,827)
S4986

>  <Synonyms> (1,827)
Moxalactam sodium salt

>  <Target> (1,827)
Antibacterial

>  <URL> (1,827)
http://selleckchem.com/products/.html

>  <CAS Number> (1,827)
64953-12-4

$$$$
S5065 Ganciclovir sodium.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,828)
1828

>  <Formula> (1,828)
C9H12N5NaO4

>  <MolWeight> (1,828)
277.21245

>  <Item Name> (1,828)
Ganciclovir sodium

>  <Catalog Number> (1,828)
S5065

>  <Synonyms> (1,828)
N/A

>  <Target> (1,828)
others

>  <URL> (1,828)
http://selleckchem.com/products/.html

>  <CAS Number> (1,828)
107910-75-8

$$$$
S5255 Nicardipine.cdx
csChFnd80/10101813242D

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55985-32-5

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>  <Synonyms> (1,830)
N/A

>  <Target> (1,830)
5-HT

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186543-64-6

$$$$
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csChFnd80/10101813242D

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831-61-8

$$$$
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>  <Synonyms> (1,832)
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ERK

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942183-80-4(free base)

$$$$
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M  END
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>  <Formula> (1,833)
C15H15N5

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SI-2

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S8635

>  <Target> (1,833)
SRC

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

>  <CAS Number> (1,833)
380537-35-9

$$$$
>  <Mol_ID> (1,834)
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Oxytocin (Syntocinon)

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P1029

>  <Form> (1,834)
Free Base

>  <URL> (1,834)
http://www.selleckchem.com/peptide/Oxytocin-Acetate(Syntocinon).html

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50-56-6

$$$$
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GHRP-2

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Free Base

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158861-67-7

$$$$
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Bivalirudin Trifluoroacetate

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P1004

>  <Form> (1,836)
Trifluoroacetat

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http://www.selleckchem.com/peptide/bivalirudin-trifluoroacetate.html

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128270-60-0

$$$$
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Eptifibatide Acetate

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P1011

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Acetate

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148031-34-9

$$$$
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Lypressin Acetate

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Acetate

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http://www.selleckchem.com/peptide/lypressin-acetate.html

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50-57-7

$$$$
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Atosiban Acetate

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P1025

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Acetate

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http://www.selleckchem.com/peptide/atosiban-acetate.html

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90779-69-4

$$$$
>  <Mol_ID> (1,840)
1840

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Salmon Calcitonin Acetate

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P1030

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Acetate

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http://www.selleckchem.com/peptide/salmon-calcitonin-acetate.html

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47931-85-1

$$$$
>  <Mol_ID> (1,841)
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Nafarelin Acetate

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Acetate

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76932-56-4

$$$$
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Pramlintide Acetate

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N/A

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Acetate

$$$$
>  <Mol_ID> (1,843)
1843

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P1013

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5-alpha Reductase

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http://selleckchem.com/products/leuprorelin-acetate.html

>  <CAS Number> (1,843)
53714-56-0

$$$$
>  <Mol_ID> (1,844)
1844

>  <Catalog Number> (1,844)
P1023

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http://selleckchem.com/products/alarelin-acetate.html

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79561-22-1

$$$$
>  <Mol_ID> (1,845)
1845

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P1026

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5-alpha Reductase

>  <URL> (1,845)
http://selleckchem.com/products/gonadorelin-acetate.html

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71447-49-9

$$$$
>  <Mol_ID> (1,846)
1846

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P1034

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5-alpha Reductase

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http://selleckchem.com/products/terlipressin-acetate.html

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14636-12-5

$$$$
>  <Mol_ID> (1,847)
1847

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P1056

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5-alpha Reductase

>  <URL> (1,847)
http://selleckchem.com/products/glucagon-hydrochloride.html

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16941-32-5

$$$$
>  <Mol_ID> (1,848)
1848

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P1085

>  <Target> (1,848)
Gq

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

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68521-88-0

$$$$
S5672 Hydroxyhexamide.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,849)
1849

>  <Formula> (1,849)
C15H22N2O4S

>  <MolWeight> (1,849)
326.41118

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Hydroxyhexamide

>  <Catalog Number> (1,849)
S5672

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free base

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3168-01-2

$$$$
>  <Mol_ID> (1,850)
1850

>  <Catalog Number> (1,850)
P1084

>  <Synonyms> (1,850)
DDAVP

>  <Target> (1,850)
V2 receptors

>  <CAS Number> (1,850)
16679-58-6(free base)

$$$$
Azasetron hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,851)
1851

>  <Formula> (1,851)
C17H21Cl2N3O3

>  <MolWeight> (1,851)
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>  <Item Name> (1,851)
Azasetron HCl

>  <Catalog Number> (1,851)
S2106

>  <Synonyms> (1,851)
N/A

>  <Target> (1,851)
5-HT Receptor

>  <Form> (1,851)
HCl

>  <URL> (1,851)
http://www.selleckchem.com/products/azasetron-hcl.html

>  <CAS Number> (1,851)
123040-16-4

$$$$
Apremilast (CC-10004).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,852)
1852

>  <Formula> (1,852)
C22H24N2O7S

>  <MolWeight> (1,852)
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>  <Item Name> (1,852)
Apremilast (CC-10004)
Apremilast (CC-10004)

>  <Catalog Number> (1,852)
S8034

>  <Synonyms> (1,852)
N/A

>  <Target> (1,852)
PDE

>  <Form> (1,852)
Free Base

>  <URL> (1,852)
http://www.selleckchem.com/products/apremilast-cc-10004.html

>  <CAS Number> (1,852)
608141-41-9

$$$$
Difluoxacin hydrochloride .cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,853)
1853

>  <Formula> (1,853)
C21H20ClF2N3O3

>  <MolWeight> (1,853)
435.8516064

>  <Item Name> (1,853)
Difloxacin hydrochloride

>  <Catalog Number> (1,853)
S5041

>  <Synonyms> (1,853)
N/A

>  <Target> (1,853)
Anti-infection

>  <Form> (1,853)
hydrochloride 

>  <URL> (1,853)
http://selleckchem.com/products/difloxacin-hydrochloride.html

>  <CAS Number> (1,853)
91296-86-5

$$$$
Edoxaban.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,854)
1854

>  <Formula> (1,854)
C31H40ClN7O8S2

>  <MolWeight> (1,854)
738.2744

>  <Item Name> (1,854)
Edoxaban

>  <Catalog Number> (1,854)
S7280

>  <Synonyms> (1,854)
DU-176b

>  <Target> (1,854)
Factor Xa

>  <Form> (1,854)
Tosylate hydrate

>  <URL> (1,854)
http://www.selleckchem.com/products/edoxaban.html

>  <CAS Number> (1,854)
1229194-11-9

$$$$
S9329 Orcinol.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,855)
1855

>  <Formula> (1,855)
C7H8O2

>  <MolWeight> (1,855)
124.13722

>  <Item Name> (1,855)
Orcinol

>  <Catalog Number> (1,855)
S9329

>  <Target> (1,855)
Others

>  <CAS Number> (1,855)
504-15-4

$$$$
S9330 6-Hydroxy-4-methylcoumarin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,856)
1856

>  <Formula> (1,856)
C10H8O3

>  <MolWeight> (1,856)
176.16872

>  <Item Name> (1,856)
 6-Hydroxy-4-methylcoumarin

>  <Catalog Number> (1,856)
S9330

>  <Target> (1,856)
Others

>  <Form> (1,856)
free base

>  <CAS Number> (1,856)
 2373-31-1

$$$$
S9335 Abscisic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,857)
1857

>  <Formula> (1,857)
C15H20O4

>  <MolWeight> (1,857)
264.3169

>  <Item Name> (1,857)
Abscisic acid

>  <Catalog Number> (1,857)
S9335

>  <Form> (1,857)
free base

>  <CAS Number> (1,857)
14375-45-2

$$$$
S9336 Ethyl Coumarin-3-carboxylate.cdx
csChFnd80/10101813242D

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 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,858)
1858

>  <Formula> (1,858)
C12H10O4

>  <MolWeight> (1,858)
218.2054

>  <Item Name> (1,858)
Ethyl Coumarin-3-carboxylate

>  <Catalog Number> (1,858)
S9336

>  <Form> (1,858)
free base

>  <CAS Number> (1,858)
1846-76-0

$$$$
S9337 Ethyl vanillin acetate.cdx
csChFnd80/10101813242D

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    4.8536    4.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8554    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,859)
1859

>  <Formula> (1,859)
C11H12O4

>  <MolWeight> (1,859)
208.21058

>  <Item Name> (1,859)
Ethyl vanillin acetate

>  <Catalog Number> (1,859)
S9337

>  <Form> (1,859)
free base

>  <CAS Number> (1,859)
72207-94-4

$$$$
S9340 Bz-RS-ISer(3-Ph)-Ome.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  2  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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    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
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  2  3  1  0  0  0  0
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  6  4  2  0  0  0  0
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  9  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
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 21 18  1  0  0  0  0
 19 21  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,860)
1860

>  <Formula> (1,860)
C17H17NO4

>  <MolWeight> (1,860)
299.32118

>  <Item Name> (1,860)
Bz-RS-ISer(3-Ph)-Ome

>  <Catalog Number> (1,860)
S9340

>  <Form> (1,860)
free base

>  <CAS Number> (1,860)
32981-85-4

$$$$
S9343 Sequoyitol.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 C   0  0  2  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
    1.2124    3.5000    0.0000 C   0  0  1  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
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  2  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    4.2000    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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
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  5 10  1  0  0  0  0
  5 11  1  1  0  0  0
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  7 10  1  0  0  0  0
 10 13  1  1  0  0  0
M  END
>  <Mol_ID> (1,861)
1861

>  <Formula> (1,861)
C7H14O6

>  <MolWeight> (1,861)
194.18246

>  <Item Name> (1,861)
 Sequoyitol

>  <Catalog Number> (1,861)
S9343

>  <Form> (1,861)
free base

>  <CAS Number> (1,861)
523-92-2

$$$$
S9345 Disodium 5'-Inosinate.cdx
csChFnd80/10101813242D

 25 25  0  0  0  0  0  0  0  0999 V2000
    9.1359    2.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5686    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8044    2.4641    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2686    2.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9686    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6718    3.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3718    1.1326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4012    2.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6686    5.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,862)
1862

>  <Formula> (1,862)
C10H11N4Na2O8P

>  <MolWeight> (1,862)
392.169641

>  <Item Name> (1,862)
Disodium 5'-Inosinate

>  <Catalog Number> (1,862)
S9345

>  <Form> (1,862)
free base

>  <CAS Number> (1,862)
4691-65-0

$$$$
S9347 Allitol.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2743    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4867    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,863)
1863

>  <Formula> (1,863)
C6H14O6

>  <MolWeight> (1,863)
182.17176

>  <Item Name> (1,863)
Allitol

>  <Catalog Number> (1,863)
S9347

>  <Form> (1,863)
free base

>  <CAS Number> (1,863)
488-44-8

$$$$
S9348 D-(+)-Trehalose Anhydrous.cdx
csChFnd80/10101813242D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.6370    4.1746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8308    4.8742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2413    4.1467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4470    2.0674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0405    2.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,864)
1864

>  <Formula> (1,864)
C12H22O11

>  <MolWeight> (1,864)
342.29648

>  <Item Name> (1,864)
D-(+)-Trehalose Anhydrous

>  <Catalog Number> (1,864)
S9348

>  <Form> (1,864)
free base

>  <CAS Number> (1,864)
99-20-7

$$$$
S9350 Ethyl 4-Methoxycinnamate.cdx
csChFnd80/10101813242D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.8000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
    0.0000    0.7000    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
   12.1244    2.1000    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  7 12  1  0  0  0  0
 14 15  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,865)
1865

>  <Formula> (1,865)
C12H14O3

>  <MolWeight> (1,865)
206.23776

>  <Item Name> (1,865)
Ethyl 4-Methoxycinnamate

>  <Catalog Number> (1,865)
S9350

>  <Form> (1,865)
free base

>  <CAS Number> (1,865)
24393-56-4

$$$$
S9354 Oxalic acid.cdx
csChFnd80/10101813242D

  6  5  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
    0.0000    1.4000    0.0000 O   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
    3.6373    2.1000    0.0000 O   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
  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  2  0  0  0  0
M  END
>  <Mol_ID> (1,866)
1866

>  <Formula> (1,866)
C2H2O4

>  <MolWeight> (1,866)
90.03488

>  <Item Name> (1,866)
Oxalic acid

>  <Catalog Number> (1,866)
S9354

>  <Form> (1,866)
free base

>  <CAS Number> (1,866)
144-62-7

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/10101813242D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4335    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    2.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    4.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,867)
1867

>  <Formula> (1,867)
C8H6N2O

>  <MolWeight> (1,867)
146.14604

>  <Item Name> (1,867)
4-Hydroxyquinazoline

>  <Catalog Number> (1,867)
S9360

>  <Form> (1,867)
free base

>  <CAS Number> (1,867)
491-36-1

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4354    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302    0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    0.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0519    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    2.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    4.1796    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  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  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  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,868)
1868

>  <Formula> (1,868)
C10H6O4

>  <MolWeight> (1,868)
190.15224

>  <Item Name> (1,868)
Coumarin-3-carboxylic acid

>  <Catalog Number> (1,868)
S9361

>  <Form> (1,868)
free base

>  <CAS Number> (1,868)
531-81-7

$$$$
S9362 1-Naphthaleneacetic acid.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7001    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    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,869)
1869

>  <Formula> (1,869)
C12H10O2

>  <MolWeight> (1,869)
186.2066

>  <Item Name> (1,869)
1-Naphthaleneacetic acid

>  <Catalog Number> (1,869)
S9362

>  <Form> (1,869)
free base

>  <CAS Number> (1,869)
86-87-3

$$$$
S9364 6-Hydroxycoumarin.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.6342    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6342    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    2.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0569    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0569    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2684    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  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,870)
1870

>  <Formula> (1,870)
C9H6O3

>  <MolWeight> (1,870)
162.14214

>  <Item Name> (1,870)
6-Hydroxycoumarin

>  <Catalog Number> (1,870)
S9364

>  <Form> (1,870)
free base

>  <CAS Number> (1,870)
6093-68-1

$$$$
S9365 Disodium uridine-5'-monophosphate.cdx
csChFnd80/10101813242D

 23 22  0  0  0  0  0  0  0  0999 V2000
    7.7058    2.5118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0242    2.9829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6067    3.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3246    1.1608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1115    2.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2897    4.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4830    2.4830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9308    1.1420    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1770    0.0502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4278    2.5527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8686    0.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5968    4.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    2.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1209    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6672    3.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8525    4.2810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9825    4.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5259    4.7060    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.1926    5.1331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1021    3.3829    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9563    6.0494    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3844    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.0804    6.0619    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,871)
1871

>  <Formula> (1,871)
C9H11N2Na2O9P

>  <MolWeight> (1,871)
368.144941

>  <Item Name> (1,871)
Disodium uridine-5'-monophosphate

>  <Catalog Number> (1,871)
S9365

>  <Form> (1,871)
free base

>  <CAS Number> (1,871)
3387-36-8

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/10101813242D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.8569    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5248    2.4646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0904    1.1338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9118    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6905    1.1359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8660    0.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2597    2.4679    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3936    3.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    2.9024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636    2.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0982    4.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    6.6614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018    6.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    5.4459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4981    4.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2488    2.3174    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.8885    3.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8960    1.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6017    2.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6092    0.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  6  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  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 12 18  2  0  0  0  0
  9 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,872)
1872

>  <Formula> (1,872)
C10H14N5O7P

>  <MolWeight> (1,872)
347.221221

>  <Item Name> (1,872)
5'-Adenylic acid

>  <Catalog Number> (1,872)
S9366

>  <Form> (1,872)
free base

>  <CAS Number> (1,872)
61-19-8

$$$$
S9367 Adenosine disodium triphosphate.cdx
csChFnd80/10101813242D

 33 33  0  0  0  0  0  0  0  0999 V2000
   13.3160    5.3591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4577    4.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9894    4.9117    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7338    6.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5811    5.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6195    3.1582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8477    5.7219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5716    3.5755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.9048    2.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1717    3.5599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.3615    2.4182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 23 24  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 13 33  1  6  0  0  0
M  END
>  <Mol_ID> (1,873)
1873

>  <Formula> (1,873)
C10H14N5Na2O13P3

>  <MolWeight> (1,873)
551.144683

>  <Item Name> (1,873)
Adenosine disodium triphosphate

>  <Catalog Number> (1,873)
S9367

>  <CAS Number> (1,873)
34369-07-8

$$$$
S9368 ADP.cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.0319    2.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1371    2.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6899    2.4662    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4842    4.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2860    2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8779    4.1580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5466    2.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 14  1  6  0  0  0
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M  END
>  <Mol_ID> (1,874)
1874

>  <Formula> (1,874)
C10H15N5O10P2

>  <MolWeight> (1,874)
427.201122

>  <Item Name> (1,874)
ADP

>  <Catalog Number> (1,874)
S9368

>  <Form> (1,874)
free base

>  <CAS Number> (1,874)
58-64-0

$$$$
S9369 Xanthosine Dihydrate.cdx
csChFnd80/10101813242D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.5383    3.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3798    1.9412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0230    3.6770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.1288    3.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0895    1.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
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 16 19  1  1  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,875)
1875

>  <Formula> (1,875)
C10H12N4O6

>  <MolWeight> (1,875)
284.22548

>  <Item Name> (1,875)
Xanthosine

>  <Catalog Number> (1,875)
S9369

>  <Form> (1,875)
free base

>  <CAS Number> (1,875)
146-80-5

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  5 10  2  0  0  0  0
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M  END
>  <Mol_ID> (1,876)
1876

>  <Formula> (1,876)
C8H8O3

>  <MolWeight> (1,876)
152.14732

>  <Item Name> (1,876)
2',5'-Dihydroxyacetophenone

>  <Catalog Number> (1,876)
S9374

>  <CAS Number> (1,876)
490-78-8

$$$$
S9378 4',5-Dihydroxyflavone.cdx
csChFnd80/10101813242D

 19 21  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
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    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> (1,877)
1877

>  <Formula> (1,877)
C15H10O4

>  <MolWeight> (1,877)
254.2375

>  <Item Name> (1,877)
4',5-Dihydroxyflavone

>  <Catalog Number> (1,877)
S9378

>  <Form> (1,877)
free base

>  <CAS Number> (1,877)
6665-67-4

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/10101813242D

 23 25  0  0  0  0  0  0  0  0999 V2000
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Sophocarpine Monohydrate

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>  <Form> (1,878)
free base

>  <CAS Number> (1,878)
 145572-44-7

$$$$
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csChFnd80/10101813242D

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Ligustilide

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S9385

>  <CAS Number> (1,879)
4431-01-0

$$$$
S9386 Polygalacic acid.cdx
csChFnd80/10101813242D

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>  <Formula> (1,880)
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>  <MolWeight> (1,880)
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>  <Item Name> (1,880)
Polygalacic acid

>  <Catalog Number> (1,880)
S9386

>  <Form> (1,880)
free base

>  <CAS Number> (1,880)
 22338-71-2

$$$$
S9387 Maackiain.cdx
csChFnd80/10101813242D

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Maackiain

>  <Catalog Number> (1,881)
S9387

>  <CAS Number> (1,881)
19908-48-6

$$$$
S9388 (+)-Praeruptorin A.cdx
csChFnd80/10101813242D

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>  <MolWeight> (1,882)
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>  <Item Name> (1,882)
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>  <Catalog Number> (1,882)
S9388

>  <Form> (1,882)
free base

>  <CAS Number> (1,882)
73069-27-9

$$$$
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csChFnd80/10101813242D

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M  END
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>  <Formula> (1,883)
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>  <MolWeight> (1,883)
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>  <Item Name> (1,883)
Phorbol

>  <Catalog Number> (1,883)
S9389

>  <Form> (1,883)
free base

>  <CAS Number> (1,883)
17673-25-5

$$$$
S9392 Praeruptorin B.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,884)
1884

>  <Formula> (1,884)
C24H26O7

>  <MolWeight> (1,884)
426.45904

>  <Item Name> (1,884)
Praeruptorin B

>  <Catalog Number> (1,884)
S9392

>  <CAS Number> (1,884)
81740-07-0

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/10101813242D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,885)
1885

>  <Formula> (1,885)
C6H13NO3

>  <MolWeight> (1,885)
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>  <Item Name> (1,885)
(4S)-4-Hydroxy-L-isoleucine

>  <Catalog Number> (1,885)
S9393

>  <Form> (1,885)
free base

>  <CAS Number> (1,885)
55399-93-4

$$$$
S9394 Jatrorrhizine hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,886)
1886

>  <Formula> (1,886)
C20H20ClNO4

>  <MolWeight> (1,886)
373.8301

>  <Item Name> (1,886)
Jatrorrhizine hydrochloride

>  <Catalog Number> (1,886)
S9394

>  <Form> (1,886)
free base

>  <CAS Number> (1,886)
960383-96-4

$$$$
S9395 N-Benzoyl-(2R,3S)-3-phenylisoserine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,887)
1887

>  <Formula> (1,887)
C16H15NO4

>  <MolWeight> (1,887)
285.2946

>  <Item Name> (1,887)
N-Benzoyl-(2R,3S)-3-phenylisoserine

>  <Catalog Number> (1,887)
S9395

>  <Form> (1,887)
free base

>  <CAS Number> (1,887)
132201-33-3

$$$$
S9396 Geraniin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,891)
1891

>  <Formula> (1,891)
C41H32O26

>  <MolWeight> (1,891)
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>  <Item Name> (1,891)
1,2,3,4,6-O-Pentagalloylglucose

>  <Catalog Number> (1,891)
S9399

>  <Form> (1,891)
free base

>  <CAS Number> (1,891)
14937-32-7

$$$$
S9400 Rhynchophylline.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,892)
1892

>  <Formula> (1,892)
C22H28N2O4

>  <MolWeight> (1,892)
384.46872

>  <Item Name> (1,892)
Rhynchophylline

>  <Catalog Number> (1,892)
S9400

>  <Form> (1,892)
free base

>  <CAS Number> (1,892)
76-66-4

$$$$
S9401 3,6'-Disinapoyl sucrose.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,893)
1893

>  <Formula> (1,893)
C34H42O19

>  <MolWeight> (1,893)
754.68588

>  <Item Name> (1,893)
 3,6'-Disinapoyl sucrose

>  <Catalog Number> (1,893)
S9401

>  <Form> (1,893)
free base

>  <CAS Number> (1,893)
139891-98-8

$$$$
S9402 (20R)-Protopanaxdiol.cdx
csChFnd80/10101813242D

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177931-17-8

$$$$
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free base

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115909-22-3

$$$$
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28282-25-9

$$$$
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M  END
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500-64-1

$$$$
S9410 Euphorbia factor L1.cdx
csChFnd80/10101813242D

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>  <Catalog Number> (1,902)
S9410

>  <CAS Number> (1,902)
76376-43-7

$$$$
S9411 Liensinine.cdx
csChFnd80/10101813242D

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free base

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2586-96-1

$$$$
S9412 Flavokawain B.cdx
csChFnd80/10101813242D

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free base

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1775-97-9

$$$$
S9413 Yangonin.cdx
csChFnd80/10101813242D

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174972-79-3

$$$$
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73069-28-0

$$$$
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csChFnd80/10101813242D

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free base

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4090-18-0

$$$$
S9421 Demethylnobiletin.cdx
csChFnd80/10101813242D

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2174-59-6

$$$$
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$$$$
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604-80-8

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$$$$
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M  END
>  <Mol_ID> (1,921)
1921

>  <Formula> (1,921)
C22H24NO4+

>  <MolWeight> (1,921)
366.43026

>  <Item Name> (1,921)
Dehydrocorydalin

>  <Catalog Number> (1,921)
S9431

>  <Form> (1,921)
free base

>  <CAS Number> (1,921)
30045-16-0

$$$$
S9432 Ginkgolic Acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,922)
1922

>  <Formula> (1,922)
C22H34O3

>  <MolWeight> (1,922)
346.50356

>  <Item Name> (1,922)
Ginkgolic Acid

>  <Catalog Number> (1,922)
S9432

>  <Form> (1,922)
free base

>  <CAS Number> (1,922)
22910-60-7

$$$$
S9433 Tubeimoside II.cdx
csChFnd80/10101813242D

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480-43-3

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6730-83-2

$$$$
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$$$$
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>  <CAS Number> (1,933)
58546-55-7

$$$$
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csChFnd80/10101813242D

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free base

>  <CAS Number> (1,934)
17406-45-0

$$$$
S9445 Ginkgolic Acid (C130).cdx
csChFnd80/10101813242D

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>  <Catalog Number> (1,935)
S9445

>  <Form> (1,935)
free base

>  <CAS Number> (1,935)
20261-38-5

$$$$
S9446 Dihydrokavain.cdx
csChFnd80/10101813242D

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S9446

>  <Form> (1,936)
free base

>  <CAS Number> (1,936)
587-63-3

$$$$
S9447 1F-Fructofuranosylnystose.cdx
csChFnd80/10101813242D

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   11.7871    6.2085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3959    6.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5644    7.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1732    7.0207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1626    8.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9448    9.1115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9342   10.5114    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5430   10.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7115   11.4808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3203   11.3239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3097   12.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0920   13.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    9.9567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148    9.2476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2790    7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0045    7.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3671   10.1763    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    9.8747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268   11.4597    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2176   12.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6327   11.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8397   12.5879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9822   13.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8022   14.7450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8873   11.6589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2544   11.9605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3278   10.3757    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0370    9.1686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4749    5.6536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679    4.9443    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1270    3.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8502    2.9770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2138    5.8976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8467    5.5961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7799    7.1566    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0760    8.3668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4856    7.5755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6926    8.2848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8334    9.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1101   10.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7464    7.3321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1135    7.6336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1805    6.0729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8845    4.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3950    2.0906    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1880    1.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6128    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6236    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8199    2.1093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.0377    1.4187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  7  6  1  6  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
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 16 17  1  1  0  0  0
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 20 21  1  6  0  0  0
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 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  6  0  0  0
 13 27  1  0  0  0  0
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 28 29  1  6  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 13 33  1  0  0  0  0
 33 34  1  6  0  0  0
 10 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  6  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  1  0  0  0
 39 41  1  0  0  0  0
 10 41  1  0  0  0  0
 41 42  1  6  0  0  0
  7 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  6  0  0  0
 45 46  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  1  1  0  0  0
 47 49  1  0  0  0  0
  7 49  1  0  0  0  0
 49 50  1  6  0  0  0
  5 51  1  0  0  0  0
 51 52  1  1  0  0  0
 51 53  1  0  0  0  0
 53 54  1  6  0  0  0
 53 55  1  0  0  0  0
  3 55  1  0  0  0  0
 55 56  1  1  0  0  0
M  END
>  <Mol_ID> (1,937)
1937

>  <Formula> (1,937)
C30H52O26

>  <MolWeight> (1,937)
828.71828

>  <Item Name> (1,937)
1F-Fructofuranosylnystose

>  <Catalog Number> (1,937)
S9447

>  <Form> (1,937)
free base

>  <CAS Number> (1,937)
59432-60-9

$$$$
S9000 7,8-Dihydroxy-4-methylcoumarin.cdx
csChFnd80/10101813242D

 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
    4.8497    4.2000    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
    2.4249    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
    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  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 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,938)
1938

>  <Formula> (1,938)
C10H8O4

>  <MolWeight> (1,938)
192.16812

>  <Item Name> (1,938)
7,8-Dihydroxy-4-methylcoumarin

>  <Catalog Number> (1,938)
S9000

>  <Form> (1,938)
free base

>  <CAS Number> (1,938)
2107-77-9

$$$$
S9001 Malic acid.cdx
csChFnd80/10101813242D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4002    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    1.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    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
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,939)
1939

>  <Formula> (1,939)
C4H6O5

>  <MolWeight> (1,939)
134.08744

>  <Item Name> (1,939)
Malic acid

>  <Catalog Number> (1,939)
S9001

>  <Form> (1,939)
free base

>  <CAS Number> (1,939)
6915-15-7

$$$$
S9002 L-Fucose.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.6377    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8519    2.1017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4268    2.1017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6377    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0661    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8519    3.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4268    3.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2674    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0661    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0997    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  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  6  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,940)
1940

>  <Formula> (1,940)
C6H12O5

>  <MolWeight> (1,940)
164.15648

>  <Item Name> (1,940)
L-Fucose

>  <Catalog Number> (1,940)
S9002

>  <Form> (1,940)
free base

>  <CAS Number> (1,940)
2438-80-4

$$$$
S9003 (R)-(-)-Mandelic acid.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    2.8008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4253    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    4.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    0.7012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005    0.6996    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  1  0  0  0
  3  7  1  0  0  0  0
  4  8  2  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
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,941)
1941

>  <Formula> (1,941)
C8H8O3

>  <MolWeight> (1,941)
152.14732

>  <Item Name> (1,941)
(R)-(-)-Mandelic acid

>  <Catalog Number> (1,941)
S9003

>  <Form> (1,941)
free base

>  <CAS Number> (1,941)
611-71-2

$$$$
S9006 Perillartine.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  3  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
    6.0622    0.7000    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
    3.6373    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
    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    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
    1.2124    0.7000    0.0000 N   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
  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  1  0  0  0  0
  6  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
M  END
>  <Mol_ID> (1,942)
1942

>  <Formula> (1,942)
C10H15NO

>  <MolWeight> (1,942)
165.2322

>  <Item Name> (1,942)
Perillartine

>  <Catalog Number> (1,942)
S9006

>  <Form> (1,942)
free base

>  <CAS Number> (1,942)
30950-27-7

$$$$
S9007 2'-Deoxyguanosine monohydrate.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.7229    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8689    1.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7361    2.2150    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4046    1.7821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9723    0.4505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5818    2.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4043    4.0473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7357    3.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714    5.3787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7941    6.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9709    7.6439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6396    7.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    7.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    9.3106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    7.2104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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961-07-9

$$$$
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$$$$
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26833-87-4

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 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
>  <Mol_ID> (1,953)
1953

>  <Formula> (1,953)
C38H46O8

>  <MolWeight> (1,953)
630.76704

>  <Item Name> (1,953)
Gambogenic acid

>  <Catalog Number> (1,953)
S9031

>  <Form> (1,953)
free base

>  <CAS Number> (1,953)
173932-75-7

$$$$
>  <Mol_ID> (1,954)
1954

>  <Item Name> (1,954)
Incensole acetate

>  <Catalog Number> (1,954)
S9033

>  <Form> (1,954)
free base

>  <CAS Number> (1,954)
34701-53-6

$$$$
S9034 Isochlorogenic acid C.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,955)
1955

>  <Formula> (1,955)
C25H24O12

>  <MolWeight> (1,955)
516.45086

>  <Item Name> (1,955)
Isochlorogenic acid C

>  <Catalog Number> (1,955)
S9034

>  <Form> (1,955)
free base

>  <CAS Number> (1,955)
57378-72-0

$$$$
S9039 Albiflorin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,956)
1956

>  <Formula> (1,956)
C23H28O11

>  <MolWeight> (1,956)
480.46182

>  <Item Name> (1,956)
Albiflorin

>  <Catalog Number> (1,956)
S9039

>  <Form> (1,956)
free base

>  <CAS Number> (1,956)
39011-90-0

$$$$
S9043 6-Shogaol.cdx
csChFnd80/10101813242D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,957)
1957

>  <Formula> (1,957)
C17H24O3

>  <MolWeight> (1,957)
276.37066

>  <Item Name> (1,957)
6-Shogaol

>  <Catalog Number> (1,957)
S9043

>  <Form> (1,957)
free base

>  <CAS Number> (1,957)
555-66-8

$$$$
S9045 Triptophenolide.cdx
csChFnd80/10101813242D

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495-02-3

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41743-73-1

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28978-02-1

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96574-01-5

$$$$
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csChFnd80/10101813242D

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6879-01-2

$$$$
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free base

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3952-98-5

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>  <Catalog Number> (1,969)
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38950-94-6

$$$$
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1970

>  <Formula> (1,970)
C24H42O21

>  <MolWeight> (1,970)
666.57768

>  <Item Name> (1,970)
Nystose

>  <Catalog Number> (1,970)
S9060

>  <Form> (1,970)
free base

>  <CAS Number> (1,970)
13133-07-8

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,971)
1971

>  <Formula> (1,971)
C27H32O16

>  <MolWeight> (1,971)
612.53338

>  <Item Name> (1,971)
Hydroxy safflor yellow A

>  <Catalog Number> (1,971)
S9061

>  <Form> (1,971)
free base

>  <CAS Number> (1,971)
78281-02-4

$$$$
S9062 4-Hydroxyisoleucine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,972)
1972

>  <Formula> (1,972)
C6H13NO3

>  <MolWeight> (1,972)
147.17232

>  <Item Name> (1,972)
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>  <Catalog Number> (1,972)
S9062

>  <Form> (1,972)
free base

>  <CAS Number> (1,972)
781658-23-9

$$$$
S9063 Harringtonine.cdx
csChFnd80/10101813242D

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26833-85-2

$$$$
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>  <CAS Number> (1,974)
4192-90-9

$$$$
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1975

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>  <MolWeight> (1,975)
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>  <Item Name> (1,975)
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509-24-0

$$$$
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1976

>  <Formula> (1,976)
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>  <MolWeight> (1,976)
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>  <Item Name> (1,976)
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>  <Catalog Number> (1,976)
S9066

>  <Form> (1,976)
free base

>  <CAS Number> (1,976)
449733-84-0

$$$$
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M  END
>  <Mol_ID> (1,977)
1977

>  <Formula> (1,977)
C51H82O21

>  <MolWeight> (1,977)
1031.18418

>  <Item Name> (1,977)
Pseudoprotodioscin

>  <Catalog Number> (1,977)
S9067

>  <Form> (1,977)
free base

>  <CAS Number> (1,977)
102115-79-7

$$$$
S9068 Trillin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,978)
1978

>  <Formula> (1,978)
C33H52O8

>  <MolWeight> (1,978)
576.76118

>  <Item Name> (1,978)
Trillin

>  <Catalog Number> (1,978)
S9068

>  <Form> (1,978)
free base

>  <CAS Number> (1,978)
14144-06-0

$$$$
S9069 Jatrorrhizine chloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,979)
1979

>  <Formula> (1,979)
C20H20ClNO4

>  <MolWeight> (1,979)
373.8301

>  <Item Name> (1,979)
Jatrorrhizine chloride

>  <Catalog Number> (1,979)
S9069

>  <CAS Number> (1,979)
6681-15-8

$$$$
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70872-29-6

$$$$
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4674-50-4

$$$$
S9072 Sweroside.cdx
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S9072

>  <Form> (1,982)
free base

>  <CAS Number> (1,982)
14215-86-2

$$$$
S9073 Lithospermoside.cdx
csChFnd80/10101813242D

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>  <Item Name> (1,983)
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free base

>  <CAS Number> (1,983)
63492-69-3

$$$$
S9074 Buddlejasaponin IVb.cdx
csChFnd80/10101813242D

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free base

>  <CAS Number> (1,984)
152580-79-5

$$$$
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>  <Mol_ID> (1,985)
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>  <Formula> (1,985)
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>  <Item Name> (1,985)
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>  <Catalog Number> (1,985)
S9075

>  <Form> (1,985)
free base

>  <CAS Number> (1,985)
102841-42-9

$$$$
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>  <Mol_ID> (1,986)
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>  <Formula> (1,986)
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>  <MolWeight> (1,986)
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>  <Item Name> (1,986)
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>  <Catalog Number> (1,986)
S9076

>  <CAS Number> (1,986)
104472-68-6

$$$$
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>  <CAS Number> (1,987)
104777-68-6

$$$$
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csChFnd80/10101813242D

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S9078

>  <Form> (1,988)
free base

>  <CAS Number> (1,988)
1072-93-1

$$$$
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>  <Item Name> (1,989)
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>  <Catalog Number> (1,989)
S9079

>  <Form> (1,989)
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>  <CAS Number> (1,989)
11021-13-9

$$$$
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M  END
>  <Mol_ID> (1,990)
1990

>  <Formula> (1,990)
C21H20O6

>  <MolWeight> (1,990)
368.3799

>  <Item Name> (1,990)
Anhydroicaritin

>  <Catalog Number> (1,990)
S9080

>  <Form> (1,990)
free base

>  <CAS Number> (1,990)
118525-40-9

$$$$
S9081 Anemoside B4.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (1,991)
1991

>  <Formula> (1,991)
C59H96O26

>  <MolWeight> (1,991)
1221.37794

>  <Item Name> (1,991)
Anemoside B4

>  <Catalog Number> (1,991)
S9081

>  <CAS Number> (1,991)
129741-57-7

$$$$
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csChFnd80/10101813242D

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free base

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13382-86-0

$$$$
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>  <Mol_ID> (1,993)
1993

>  <Formula> (1,993)
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>  <MolWeight> (1,993)
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>  <Item Name> (1,993)
Rhapontin

>  <Catalog Number> (1,993)
S9083

>  <Form> (1,993)
free base

>  <CAS Number> (1,993)
155-58-8

$$$$
S9084 Rhoifolin.cdx
csChFnd80/10101813242D

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1994

>  <Formula> (1,994)
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>  <MolWeight> (1,994)
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>  <Item Name> (1,994)
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>  <Catalog Number> (1,994)
S9084

>  <Form> (1,994)
free base

>  <CAS Number> (1,994)
17306-46-6

$$$$
S9085 Corynoline.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,995)
1995

>  <Formula> (1,995)
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>  <MolWeight> (1,995)
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>  <Item Name> (1,995)
Corynoline

>  <Catalog Number> (1,995)
S9085

>  <Form> (1,995)
free base

>  <CAS Number> (1,995)
18797-79-0

$$$$
S9086 Dihydrocapsaicin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (1,996)
1996

>  <Formula> (1,996)
C18H29NO3

>  <MolWeight> (1,996)
307.42776

>  <Item Name> (1,996)
Dihydrocapsaicin

>  <Catalog Number> (1,996)
S9086

>  <Form> (1,996)
free base

>  <CAS Number> (1,996)
19408-84-5

$$$$
S9087 Tenuifolin.cdx
csChFnd80/10101813242D

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20183-47-5

$$$$
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>  <Mol_ID> (1,998)
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>  <Form> (1,998)
free base

>  <CAS Number> (1,998)
20633-67-4

$$$$
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>  <CAS Number> (1,999)
2141-09-5

$$$$
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260413-62-5

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26575-95-1

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2680-81-1

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2009

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S9099

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free base

>  <CAS Number> (2,009)
28608-75-5

$$$$
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2010

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S9100

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free base

>  <CAS Number> (2,010)
28808-62-0

$$$$
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csChFnd80/10101813242D

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2011

>  <Formula> (2,011)
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348.43332

>  <Item Name> (2,011)
Ingenol

>  <Catalog Number> (2,011)
S9101

>  <Form> (2,011)
free base

>  <CAS Number> (2,011)
30220-46-3

$$$$
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>  <Mol_ID> (2,012)
2012

>  <Formula> (2,012)
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>  <MolWeight> (2,012)
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>  <Item Name> (2,012)
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>  <Catalog Number> (2,012)
S9102

>  <CAS Number> (2,012)
31008-18-1

$$$$
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34367-04-9

$$$$
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39262-14-1

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free base

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39432-56-9

$$$$
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free base

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40957-83-3

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51059-44-0

$$$$
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csChFnd80/10101813242D

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$$$$
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>  <Form> (2,027)
free base

>  <CAS Number> (2,027)
52286-74-5

$$$$
S9118 Beta-Asarone.cdx
csChFnd80/10101813242D

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S9120 Scutellarein.cdx
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S9122 Tectorigenin.cdx
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65995-63-3

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S9132

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free base

>  <CAS Number> (2,041)
6926-08-5

$$$$
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csChFnd80/10101813242D

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70831-56-0

$$$$
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free base

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72063-39-9

$$$$
S9135 Artemisic acid.cdx
csChFnd80/10101813242D

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S9135

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free base

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80286-58-4

$$$$
S9136 Neochlorogenic acid.cdx
csChFnd80/10101813242D

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S9136

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free base

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906-33-2

$$$$
S9137 Erianin.cdx
csChFnd80/10101813242D

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Erianin

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S9137

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free base

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95041-90-0

$$$$
S9138 Picfeltarraenin IA.cdx
csChFnd80/10101813242D

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>  <CAS Number> (2,052)
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13159-28-9

$$$$
S9154 Chelidonine.cdx
csChFnd80/10101813242D

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476-32-4

$$$$
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>  <Item Name> (2,063)
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S9155

>  <Form> (2,063)
free base

>  <CAS Number> (2,063)
67979-25-3

$$$$
S9156 Chonglou Saponin VII.cdx
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$$$$
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514-39-6

$$$$
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882664-74-6

$$$$
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572-31-6

$$$$
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19210-12-9

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csChFnd80/10101813242D

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free base

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6873-13-8

$$$$
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csChFnd80/10101813242D

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free base

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80681-44-3

$$$$
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csChFnd80/10101813242D

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S9174

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free base

>  <CAS Number> (2,082)
2009-24-7

$$$$
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csChFnd80/10101813242D

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7431-77-8

$$$$
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4168-17-6

$$$$
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$$$$
S9181 Periplocin.cdx
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S9184

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free base

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81525-13-5

$$$$
S9185 Nitidine Chloride.cdx
csChFnd80/10101813242D

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2093

>  <Formula> (2,093)
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Nitidine Chloride

>  <Catalog Number> (2,093)
S9185

>  <Form> (2,093)
free base

>  <CAS Number> (2,093)
13063-04-2

$$$$
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csChFnd80/10101813242D

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>  <Catalog Number> (2,094)
S9186

>  <Form> (2,094)
free base

>  <CAS Number> (2,094)
2385-63-9

$$$$
S9187 Phillygenin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,095)
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>  <Formula> (2,095)
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487-39-8

$$$$
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6681-18-1

$$$$
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csChFnd80/10101813242D

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Oroxin A

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S9189

>  <Form> (2,097)
free base

>  <CAS Number> (2,097)
57396-78-8

$$$$
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csChFnd80/10101813242D

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free base

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114482-86-9

$$$$
S9191 Loganic acid.cdx
csChFnd80/10101813242D

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free base

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22255-40-9

$$$$
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135575-42-7

$$$$
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free base

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146087-19-6

$$$$
S9203 Notopterol.cdx
csChFnd80/10101813242D

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free base

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88206-46-6

$$$$
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csChFnd80/10101813242D

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free base

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480-11-5

$$$$
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csChFnd80/10101813242D

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$$$$
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free base

>  <CAS Number> (2,118)
55466-04-1

$$$$
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$$$$
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>  <Mol_ID> (2,123)
2123

>  <Formula> (2,123)
C31H48O7

>  <MolWeight> (2,123)
532.70862

>  <Item Name> (2,123)
Phytolaccagenin

>  <Catalog Number> (2,123)
S9218

>  <Form> (2,123)
free base

>  <CAS Number> (2,123)
1802-12-6

$$$$
S9219 Huperzine B.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,124)
2124

>  <Formula> (2,124)
C16H20N2O

>  <MolWeight> (2,124)
256.3428

>  <Item Name> (2,124)
Huperzine B

>  <Catalog Number> (2,124)
S9219

>  <Form> (2,124)
free base

>  <CAS Number> (2,124)
103548-82-9

$$$$
S9220 Stylopine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,125)
2125

>  <Formula> (2,125)
C19H18ClNO4

>  <MolWeight> (2,125)
359.80352

>  <Item Name> (2,125)
Stylopine hydrochloride

>  <Catalog Number> (2,125)
S9220

>  <Form> (2,125)
free base

>  <CAS Number> (2,125)
96087-21-7

$$$$
S9221 Ferulaldehyde.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,126)
2126

>  <Formula> (2,126)
C10H10O3

>  <MolWeight> (2,126)
178.1846

>  <Item Name> (2,126)
Ferulaldehyde

>  <Catalog Number> (2,126)
S9221

>  <Form> (2,126)
free base

>  <CAS Number> (2,126)
458-36-6

$$$$
S9222 Dipotassium glycyrrhizinate.cdx
csChFnd80/10101813242D

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68797-35-3

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20501-56-8

$$$$
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786593-06-4

$$$$
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free base

>  <CAS Number> (2,142)
15401-69-1

$$$$
S9238 Polygalic acid.cdx
csChFnd80/10101813242D

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2143

>  <Formula> (2,143)
C29H44O6

>  <MolWeight> (2,143)
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>  <Item Name> (2,143)
Polygalic acid

>  <Catalog Number> (2,143)
S9238

>  <Form> (2,143)
free base

>  <CAS Number> (2,143)
1260-04-4

$$$$
S9239 Isocorynoxeine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,144)
2144

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C22H26N2O4

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>  <Item Name> (2,144)
Isocorynoxeine

>  <Catalog Number> (2,144)
S9239

>  <Form> (2,144)
free base

>  <CAS Number> (2,144)
51014-29-0

$$$$
S9240 Isofraxidin.cdx
csChFnd80/10101813242D

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>  <Formula> (2,145)
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>  <MolWeight> (2,145)
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>  <Item Name> (2,145)
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>  <Catalog Number> (2,145)
S9240

>  <Form> (2,145)
free base

>  <CAS Number> (2,145)
486-21-5

$$$$
S9241 Polygalaxanthone III.cdx
csChFnd80/10101813242D

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free base

>  <CAS Number> (2,146)
162857-78-5

$$$$
S9242 Narirutin.cdx
csChFnd80/10101813242D

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>  <Formula> (2,147)
C27H32O14

>  <MolWeight> (2,147)
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Narirutin

>  <Catalog Number> (2,147)
S9242

>  <Form> (2,147)
free base

>  <CAS Number> (2,147)
14259-46-2

$$$$
S9243 Protosappanin B.cdx
csChFnd80/10101813242D

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2148

>  <Formula> (2,148)
C16H16O6

>  <MolWeight> (2,148)
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>  <Item Name> (2,148)
Protosappanin B

>  <Catalog Number> (2,148)
S9243

>  <CAS Number> (2,148)
102036-29-3

$$$$
S9244 8-O-acetyl shanzhiside methyl ester.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,149)
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>  <Formula> (2,149)
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>  <MolWeight> (2,149)
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>  <Item Name> (2,149)
8-O-acetyl shanzhiside methyl ester

>  <Catalog Number> (2,149)
S9244

>  <Form> (2,149)
free base

>  <CAS Number> (2,149)
57420-46-9

$$$$
S9245 Phellodendrine chloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,150)
2150

>  <Formula> (2,150)
C20H24ClNO4

>  <MolWeight> (2,150)
377.86186

>  <Item Name> (2,150)
Phellodendrine chloride

>  <Catalog Number> (2,150)
S9245

>  <Form> (2,150)
free base

>  <CAS Number> (2,150)
104112-82-5

$$$$
S9246 Tiliroside.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,151)
2151

>  <Formula> (2,151)
C30H26O13

>  <MolWeight> (2,151)
594.51964

>  <Item Name> (2,151)
Tiliroside

>  <Catalog Number> (2,151)
S9246

>  <Form> (2,151)
free base

>  <CAS Number> (2,151)
20316-62-5

$$$$
S9247 Isoliensinine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,152)
2152

>  <Formula> (2,152)
C37H42N2O6

>  <MolWeight> (2,152)
610.73918

>  <Item Name> (2,152)
Isoliensinine

>  <Catalog Number> (2,152)
S9247

>  <Form> (2,152)
free base

>  <CAS Number> (2,152)
6817-41-0

$$$$
S9248 Homoorientin.cdx
csChFnd80/10101813242D

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$$$$
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$$$$
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>  <Form> (2,170)
free base

>  <CAS Number> (2,170)
11021-14-0

$$$$
S9267 Epimedin A.cdx
csChFnd80/10101813242D

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>  <CAS Number> (2,171)
110623-72-8

$$$$
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110623-73-9

$$$$
S9269 Epmedin C.cdx
csChFnd80/10101813242D

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110642-44-9

$$$$
S9270 Dracohodin perochlorate.cdx
csChFnd80/10101813242D

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2174

>  <Formula> (2,174)
C17H15ClO7

>  <MolWeight> (2,174)
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>  <Item Name> (2,174)
Dracohodin perochlorate

>  <Catalog Number> (2,174)
S9270

>  <Form> (2,174)
free base

>  <CAS Number> (2,174)
125536-25-6

$$$$
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csChFnd80/10101813242D

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1358-76-5

$$$$
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$$$$
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   11.9718    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 17  1  0  0  0  0
 12 13  1  0  0  0  0
  4 12  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
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 30 31  1  0  0  0  0
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 30 35  2  0  0  0  0
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 28 30  1  0  0  0  0
 25 26  1  0  0  0  0
  3 25  1  6  0  0  0
M  END
>  <Mol_ID> (2,178)
2178

>  <Formula> (2,178)
C25H24O12

>  <MolWeight> (2,178)
516.45086

>  <Item Name> (2,178)
Isochlorogenic acid B

>  <Catalog Number> (2,178)
S9274

>  <Form> (2,178)
free base

>  <CAS Number> (2,178)
14534-61-3

$$$$
S9275 Isoguanosine.cdx
csChFnd80/10101813242D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    5.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    7.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4244    7.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757    2.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9731    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6046    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
  5  2  1  1  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
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  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,179)
2179

>  <Formula> (2,179)
C10H13N5O5

>  <MolWeight> (2,179)
283.24072

>  <Item Name> (2,179)
Isoguanosine

>  <Catalog Number> (2,179)
S9275

>  <Form> (2,179)
free base

>  <CAS Number> (2,179)
1818-71-9

$$$$
S9276 Alisol B.cdx
csChFnd80/10101813242D

 37 41  0  0  0  0  0  0  0  0999 V2000
    7.3050    5.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0725    3.3469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3050    4.0383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8584    7.5555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6861    6.7739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9637    6.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    4.0383    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6126    5.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6526    3.3469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0725    6.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    5.4363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6526    1.9190    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3484    6.5184    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6126    3.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0725    1.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5049    4.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8699    2.7307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1559    8.0697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3316    6.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  8  1  2  0  0  0  0
 10  1  1  0  0  0  0
  2  3  1  0  0  0  0
 15  2  1  0  0  0  0
  2 24  1  6  0  0  0
  7  2  1  0  0  0  0
 14  3  1  0  0  0  0
  3 27  1  1  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  5  1  0  0  0  0
 28  6  1  0  0  0  0
  7 11  1  0  0  0  0
  9  7  1  0  0  0  0
  7 33  1  1  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
 12  9  1  0  0  0  0
 18  9  1  0  0  0  0
  9 30  1  1  0  0  0
 11 10  1  0  0  0  0
 11 26  1  1  0  0  0
 20 12  1  0  0  0  0
 12 32  1  6  0  0  0
 12 21  1  0  0  0  0
 13 19  1  0  0  0  0
 13 29  1  1  0  0  0
 16 14  1  0  0  0  0
 21 15  1  0  0  0  0
 19 17  1  0  0  0  0
 17 31  1  6  0  0  0
 25 18  1  0  0  0  0
 22 20  1  0  0  0  0
 22 25  1  0  0  0  0
 23 22  2  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
  5 36  1  6  0  0  0
  6 37  1  0  0  0  0
M  END
>  <Mol_ID> (2,180)
2180

>  <Formula> (2,180)
C30H48O4

>  <MolWeight> (2,180)
472.69972

>  <Item Name> (2,180)
Alisol B

>  <Catalog Number> (2,180)
S9276

>  <Form> (2,180)
free base

>  <CAS Number> (2,180)
18649-93-9

$$$$
S9277 Alisol A.cdx
csChFnd80/10101813242D

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.3046    5.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    3.3742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3046    4.0562    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6433    3.3742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8637    4.0742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6866    5.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433    1.9563    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4229    1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    6.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8637    5.5099    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0841    1.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6686    3.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    4.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2024    1.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4403    4.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250    7.1611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8325    6.3714    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.4504    6.2098    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6069    7.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6940    5.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3529    7.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1556    3.9664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815    8.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9144    5.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8637    2.6922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6613    0.5924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6839    4.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  6  1  2  0  0  0  0
  9  1  1  0  0  0  0
  2  3  1  0  0  0  0
 11  2  1  0  0  0  0
  2 24  1  6  0  0  0
  5  2  1  0  0  0  0
 12  3  1  0  0  0  0
  3 27  1  1  0  0  0
  4  5  1  0  0  0  0
  7  4  1  0  0  0  0
 13  4  1  0  0  0  0
  4 25  1  1  0  0  0
  5 10  1  0  0  0  0
  5 35  1  1  0  0  0
 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
  8  7  1  0  0  0  0
  7 36  1  6  0  0  0
  7 18  1  0  0  0  0
 31  8  1  0  0  0  0
 32  8  1  0  0  0  0
  8 14  1  0  0  0  0
 10  9  1  0  0  0  0
 10 26  1  1  0  0  0
 18 11  1  0  0  0  0
 15 12  1  0  0  0  0
 22 13  1  0  0  0  0
 14 22  1  0  0  0  0
 23 14  2  0  0  0  0
 20 16  1  0  0  0  0
 16 33  1  6  0  0  0
 17 19  1  0  0  0  0
 21 17  1  0  0  0  0
 17 28  1  1  0  0  0
 19 20  1  0  0  0  0
 19 29  1  1  0  0  0
 30 21  1  0  0  0  0
 34 21  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
>  <Mol_ID> (2,181)
2181

>  <Formula> (2,181)
C30H50O5

>  <MolWeight> (2,181)
490.715

>  <Item Name> (2,181)
Alisol A

>  <Catalog Number> (2,181)
S9277

>  <Form> (2,181)
free base

>  <CAS Number> (2,181)
19885-10-0

$$$$
S9278 Saikosaponin C.cdx
csChFnd80/10101813242D

 68 76  0  0  0  0  0  0  0  0999 V2000
   10.8957    3.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8957    2.0967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1130    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    2.0967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3304    3.4967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1130    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5342    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7516    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7516    3.4967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5342    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9690    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9690    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7516    6.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5342    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1661    3.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3835    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3835    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1661    6.2967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,182)
2182

>  <Formula> (2,182)
C48H78O17

>  <MolWeight> (2,182)
927.12272

>  <Item Name> (2,182)
Saikosaponin C

>  <Catalog Number> (2,182)
S9278

>  <Form> (2,182)
free base

>  <CAS Number> (2,182)
20736-08-7

$$$$
S9279 Euphorbia factor L3.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,183)
2183

>  <Formula> (2,183)
C31H38O7

>  <MolWeight> (2,183)
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>  <Item Name> (2,183)
Euphorbia factor L3

>  <Catalog Number> (2,183)
S9279

>  <Form> (2,183)
free base

>  <CAS Number> (2,183)
218916-52-0

$$$$
S9280 Demethoxycurcumin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,184)
2184

>  <Formula> (2,184)
C20H18O5

>  <MolWeight> (2,184)
338.35392

>  <Item Name> (2,184)
Demethoxycurcumin

>  <Catalog Number> (2,184)
S9280

>  <Form> (2,184)
free base

>  <CAS Number> (2,184)
22608-11-3

$$$$
S9281 Peimine.cdx
csChFnd80/10101813242D

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Peimine

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S9281

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free base

>  <CAS Number> (2,185)
23496-41-5

$$$$
S9282 Isochlorogenic acid A.cdx
csChFnd80/10101813242D

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2186

>  <Formula> (2,186)
C25H24O12

>  <MolWeight> (2,186)
516.45086

>  <Item Name> (2,186)
Isochlorogenic acid A

>  <Catalog Number> (2,186)
S9282

>  <Form> (2,186)
free base

>  <CAS Number> (2,186)
2450-53-5

$$$$
S9283 Aristolone.cdx
csChFnd80/10101813242D

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2187

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>  <MolWeight> (2,187)
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Aristolone

>  <Catalog Number> (2,187)
S9283

>  <Form> (2,187)
free base

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25274-27-5

$$$$
S9284 Aloesin.cdx
csChFnd80/10101813242D

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2188

>  <Formula> (2,188)
C19H22O9

>  <MolWeight> (2,188)
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>  <Item Name> (2,188)
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>  <Catalog Number> (2,188)
S9284

>  <Form> (2,188)
free base

>  <CAS Number> (2,188)
30861-27-9

$$$$
S9285 Fargesin.cdx
csChFnd80/10101813242D

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M  END
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>  <Item Name> (2,203)
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>  <Form> (2,203)
free base

>  <CAS Number> (2,203)
53963-43-2

$$$$
S9300 Methylprotodioscin.cdx
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M  END
>  <Mol_ID> (2,204)
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>  <Formula> (2,204)
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>  <MolWeight> (2,204)
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>  <Item Name> (2,204)
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>  <Catalog Number> (2,204)
S9300

>  <Form> (2,204)
free base

>  <CAS Number> (2,204)
54522-52-0

$$$$
S9301 Verbenalin.cdx
csChFnd80/10101813242D

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548-37-8

$$$$
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55916-51-3

$$$$
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58316-41-9

$$$$
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M  END
>  <Mol_ID> (2,210)
2210

>  <Formula> (2,210)
C22H26N2O4

>  <MolWeight> (2,210)
382.45284

>  <Item Name> (2,210)
Corynoxeine

>  <Catalog Number> (2,210)
S9306

>  <Form> (2,210)
free base

>  <CAS Number> (2,210)
630-94-4

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,211)
2211

>  <Formula> (2,211)
C17H26O11

>  <MolWeight> (2,211)
406.38174

>  <Item Name> (2,211)
Shanzhiside methyl ester

>  <Catalog Number> (2,211)
S9307

>  <Form> (2,211)
free base

>  <CAS Number> (2,211)
64421-28-9

$$$$
S9308 Pulsatilla saponin D.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,212)
2212

>  <Formula> (2,212)
C47H76O17

>  <MolWeight> (2,212)
913.09614

>  <Item Name> (2,212)
Pulsatilla saponin D

>  <Catalog Number> (2,212)
S9308

>  <Form> (2,212)
free base

>  <CAS Number> (2,212)
68027-15-6

$$$$
S9309 Micheliolide.cdx
csChFnd80/10101813242D

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Micheliolide

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S9309

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free base

>  <CAS Number> (2,213)
68370-47-8

$$$$
S9310 Isorhychophylline.cdx
csChFnd80/10101813242D

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2214

>  <Formula> (2,214)
C22H28N2O4

>  <MolWeight> (2,214)
384.46872

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Isorhychophylline

>  <Catalog Number> (2,214)
S9310

>  <Form> (2,214)
free base

>  <CAS Number> (2,214)
6859-01-4

$$$$
S9311 Germacrone.cdx
csChFnd80/10101813242D

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C15H22O

>  <MolWeight> (2,215)
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>  <Item Name> (2,215)
Germacrone

>  <Catalog Number> (2,215)
S9311

>  <Form> (2,215)
free base

>  <CAS Number> (2,215)
6902-91-6

$$$$
S9312 Cyanidin-3-O-glucoside chloride.cdx
csChFnd80/10101813242D

 33 35  0  0  0  0  0  0  0  0999 V2000
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2216

>  <Formula> (2,216)
C21H21ClO11

>  <MolWeight> (2,216)
484.83784

>  <Item Name> (2,216)
Cyanidin-3-O-glucoside chloride

>  <Catalog Number> (2,216)
S9312

>  <Form> (2,216)
free base

>  <CAS Number> (2,216)
7084-24-4

$$$$
S9313 Atractylenolide III.cdx
csChFnd80/10101813242D

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>  <Formula> (2,217)
C15H20O3

>  <MolWeight> (2,217)
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>  <Item Name> (2,217)
Atractylenolide III

>  <Catalog Number> (2,217)
S9313

>  <Form> (2,217)
free base

>  <CAS Number> (2,217)
73030-71-4

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/10101813242D

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>  <Formula> (2,218)
C15H20O2

>  <MolWeight> (2,218)
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>  <Item Name> (2,218)
Atractylenolide II

>  <Catalog Number> (2,218)
S9314

>  <Form> (2,218)
free base

>  <CAS Number> (2,218)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/10101813242D

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$$$$
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$$$$
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38665-01-9

$$$$
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csChFnd80/10101813242D

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S9323

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free base

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4852-22-6

$$$$
S9324 Alnustone.cdx
csChFnd80/10101813242D

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free base

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33457-62-4

$$$$
S9326 Scopolamine.cdx
csChFnd80/10101813242D

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51-34-3

$$$$
P1017 Octreotide Acetate.cdx
csChFnd80/10101813242D

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79517-01-4

$$$$
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csChFnd80/10101813242D

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

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941685-27-4

$$$$
S5371 Ajmaline.cdx
csChFnd80/10101813242D

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>  <Target> (2,232)
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Sodium Channel"

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free base

>  <URL> (2,232)
http://selleckchem.com/products/.html

>  <CAS Number> (2,232)
4360-12-7

$$$$
S5372 Methyl Aminolevulinate Hydrochloride.cdx
csChFnd80/10101813242D

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free base

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79416-27-6 

$$$$
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csChFnd80/10101813242D

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 10  2  1  0  0  0  0
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 14  3  1  0  0  0  0
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 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,234)
2234

>  <Formula> (2,234)
C20H21N3O

>  <MolWeight> (2,234)
319.40024

>  <Item Name> (2,234)
Imidafenacin

>  <Catalog Number> (2,234)
S5385

>  <Target> (2,234)
mAChR

>  <Form> (2,234)
free base

>  <URL> (2,234)
http://selleckchem.com/products/.html

>  <CAS Number> (2,234)
170105-16-5 

$$$$
S5399 Chlorprothixene hydrochloride.cdx
csChFnd80/10101813242D

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  3  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,235)
2235

>  <Formula> (2,235)
C18H19Cl2NS

>  <MolWeight> (2,235)
352.32116

>  <Item Name> (2,235)
Chlorprothixene hydrochloride

>  <Catalog Number> (2,235)
S5399

>  <Target> (2,235)
AmpC Beta-Lactamase

>  <Form> (2,235)
free base

>  <URL> (2,235)
http://selleckchem.com/products/.html

>  <CAS Number> (2,235)
6469-93-8

$$$$
S5400 3-chloro-5-hydroxybenzoic Acid.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
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  5  3  2  0  0  0  0
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 10  5  1  0  0  0  0
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 11  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,236)
2236

>  <Formula> (2,236)
C7H5ClO3

>  <MolWeight> (2,236)
172.5658

>  <Item Name> (2,236)
3-chloro-5-hydroxybenzoic Acid

>  <Catalog Number> (2,236)
S5400

>  <Target> (2,236)
FKSG80

>  <Form> (2,236)
free base

>  <URL> (2,236)
http://selleckchem.com/products/.html

>  <CAS Number> (2,236)
53984-36-4

$$$$
S5418 Parecoxib Sodium.cdx
csChFnd80/10101813242D

 27 29  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
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 11  7  2  0  0  0  0
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 21 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,237)
2237

>  <Formula> (2,237)
C19H17N2NaO4S

>  <MolWeight> (2,237)
392.40405

>  <Item Name> (2,237)
Parecoxib Sodium

>  <Catalog Number> (2,237)
S5418

>  <Target> (2,237)
calcium channel

>  <Form> (2,237)
free base

>  <URL> (2,237)
http://selleckchem.com/products/.html

>  <CAS Number> (2,237)
198470-85-8

$$$$
S5531 Doripenem.cdx
csChFnd80/10101813242D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    6.2576    3.5740    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
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  2  6  1  0  0  0  0
  2 28  1  6  0  0  0
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  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
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  5 29  1  1  0  0  0
  6 11  1  1  0  0  0
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M  END
>  <Mol_ID> (2,238)
2238

>  <Formula> (2,238)
C15H24N4O6S2

>  <MolWeight> (2,238)
420.50426

>  <Item Name> (2,238)
Doripenem

>  <Catalog Number> (2,238)
S5531

>  <Target> (2,238)
Bacterial

>  <Form> (2,238)
free base

>  <URL> (2,238)
http://selleckchem.com/products/.html

>  <CAS Number> (2,238)
148016-81-3

$$$$
S5533 Tobramycin sulfate.cdx
csChFnd80/10101813242D

 93 92  0  0  0  0  0  0  0  0999 V2000
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Tobramycin sulfate

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S5533

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free base

>  <CAS Number> (2,239)
79645-27-5

$$$$
S5581 Olmesartan.cdx
csChFnd80/10101813242D

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S5581

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Angiotensin Receptor

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free base

>  <URL> (2,240)
http://selleckchem.com/products/.html

>  <CAS Number> (2,240)
144689-24-7

$$$$
S5591 Ectoine.cdx
csChFnd80/10101813242D

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Ectoine

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S5591

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free base

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96702-03-3

$$$$
S5592 Vitamin A.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,242)
2242

>  <Formula> (2,242)
C20H30O

>  <MolWeight> (2,242)
286.4516

>  <Item Name> (2,242)
Vitamin A

>  <Catalog Number> (2,242)
S5592

>  <Target> (2,242)
Others

>  <Form> (2,242)
free base

>  <URL> (2,242)
http://selleckchem.com/products/.html

>  <CAS Number> (2,242)
68-26-8

$$$$
S5238 Solifenacin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,243)
2243

>  <Formula> (2,243)
C23H26N2O2

>  <MolWeight> (2,243)
362.46474

>  <Item Name> (2,243)
Solifenacin

>  <Catalog Number> (2,243)
S5238

>  <Form> (2,243)
free base

>  <CAS Number> (2,243)
242478-37-1

$$$$
S5278 Tedizolid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,244)
2244

>  <Formula> (2,244)
C17H15FN6O3

>  <MolWeight> (2,244)
370.3378032

>  <Item Name> (2,244)
Tedizolid

>  <Catalog Number> (2,244)
S5278

>  <Target> (2,244)
Bacterial

>  <URL> (2,244)
http://selleckchem.com/products/.html

>  <CAS Number> (2,244)
856866-72-3

$$$$
S5370 10-Hydroxydecanoic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,245)
2245

>  <Formula> (2,245)
C10H20O3

>  <MolWeight> (2,245)
188.264

>  <Item Name> (2,245)
10-Hydroxydecanoic acid

>  <Catalog Number> (2,245)
S5370

>  <Target> (2,245)
Others

>  <Form> (2,245)
free base

>  <URL> (2,245)
http://selleckchem.com/products/.html

>  <CAS Number> (2,245)
1679-53-4

$$$$
S5386 7-Dehydrocholesterol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,246)
2246

>  <Formula> (2,246)
C27H44O

>  <MolWeight> (2,246)
384.63766

>  <Item Name> (2,246)
7-Dehydrocholesterol

>  <Catalog Number> (2,246)
S5386

>  <Form> (2,246)
free base

>  <CAS Number> (2,246)
434-16-2

$$$$
S5535 Moxifloxacin.cdx
csChFnd80/10101813242D

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M  END
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2247

>  <Formula> (2,247)
C21H24FN3O4

>  <MolWeight> (2,247)
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>  <Item Name> (2,247)
 Moxifloxacin

>  <Catalog Number> (2,247)
S5535

>  <Form> (2,247)
free base

>  <CAS Number> (2,247)
151096-09-2

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/10101813242D

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>  <Formula> (2,248)
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S5548

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Src

>  <Form> (2,248)
free base

>  <URL> (2,248)
http://selleckchem.com/products/.html

>  <CAS Number> (2,248)
59887-89-7

$$$$
S5564 Xylazine.cdx
csChFnd80/10101813242D

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2249

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>  <MolWeight> (2,249)
220.33384

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Xylazine

>  <Catalog Number> (2,249)
S5564

>  <Target> (2,249)
Adrenergic Receptor

>  <Form> (2,249)
free base

>  <URL> (2,249)
http://selleckchem.com/products/.html

>  <CAS Number> (2,249)
7361-61-7

$$$$
S5568 Tocofersolan.cdx
csChFnd80/10101813242D

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n
M  END
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2250

>  <Formula> (2,250)
C35H58O6R

>  <MolWeight> (2,250)
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>  <Item Name> (2,250)
Tocofersolan

>  <Catalog Number> (2,250)
S5568

>  <Target> (2,250)
Others

>  <Form> (2,250)
free base

>  <URL> (2,250)
http://selleckchem.com/products/.html

>  <CAS Number> (2,250)
9002-96-4

$$$$
S5616 4-Methylcatechol.cdx
csChFnd80/10101813242D

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>  <Formula> (2,251)
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>  <MolWeight> (2,251)
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>  <Item Name> (2,251)
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>  <Catalog Number> (2,251)
S5616

>  <Target> (2,251)
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>  <Form> (2,251)
free base

>  <URL> (2,251)
http://selleckchem.com/products/.html

>  <CAS Number> (2,251)
452-86-8

$$$$
S5627 Amsacrine hydrochloride.cdx
csChFnd80/10101813242D

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>  <Formula> (2,252)
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>  <MolWeight> (2,252)
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>  <Item Name> (2,252)
Amsacrine hydrochloride

>  <Catalog Number> (2,252)
S5627

>  <Target> (2,252)
Others

>  <Form> (2,252)
free base

>  <URL> (2,252)
http://selleckchem.com/products/.html

>  <CAS Number> (2,252)
54301-15-4

$$$$
S5701 Alvimopan dihydrate.cdx
csChFnd80/10101813242D

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>  <Target> (2,253)
Others

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free base

>  <URL> (2,253)
http://selleckchem.com/products/.html

>  <CAS Number> (2,253)
170098-38-1 

$$$$
S9500 Valbenazine tosylate.cdx
csChFnd80/10101813242D

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>  <Formula> (2,254)
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>  <Item Name> (2,254)
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>  <Catalog Number> (2,254)
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>  <Form> (2,254)
free base

>  <CAS Number> (2,254)
1639208-54-0

$$$$
S5054 Rifamycin sodium salt.cdx
csChFnd80/10101813242D

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>  <Formula> (2,255)
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>  <MolWeight> (2,255)
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>  <Item Name> (2,255)
Rifamycin sodium salt

>  <Catalog Number> (2,255)
S5054

>  <Target> (2,255)
Others

>  <URL> (2,255)
http://selleckchem.com/products/.html

>  <CAS Number> (2,255)
14897-39-3

$$$$
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csChFnd80/10101813242D

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>  <Mol_ID> (2,256)
2256

>  <Formula> (2,256)
C13H19NO4

>  <MolWeight> (2,256)
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>  <Item Name> (2,256)
Diludine

>  <Catalog Number> (2,256)
S5221

>  <Target> (2,256)
Others

>  <URL> (2,256)
http://selleckchem.com/products/.html

>  <CAS Number> (2,256)
1149-23-1

$$$$
S5391 ¦Á-Boswellic acid.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,257)
2257

>  <Formula> (2,257)
C30H48O3

>  <MolWeight> (2,257)
456.70032

>  <Item Name> (2,257)
¦Á-Boswellic acid

>  <Catalog Number> (2,257)
S5391

>  <Target> (2,257)
Others

>  <Form> (2,257)
free base

>  <URL> (2,257)
http://selleckchem.com/products/.html

>  <CAS Number> (2,257)
471-66-9 

$$$$
S5392 Mepivacaine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,258)
2258

>  <Formula> (2,258)
C15H22N2O

>  <MolWeight> (2,258)
246.34798

>  <Item Name> (2,258)
Mepivacaine

>  <Catalog Number> (2,258)
S5392

>  <Target> (2,258)
Sodium Channel

>  <Form> (2,258)
free base

>  <URL> (2,258)
http://selleckchem.com/products/.html

>  <CAS Number> (2,258)
96-88-8 

$$$$
S5491 Lomefloxacin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,259)
2259

>  <Formula> (2,259)
C17H19F2N3O3

>  <MolWeight> (2,259)
351.3478664

>  <Item Name> (2,259)
Lomefloxacin

>  <Catalog Number> (2,259)
S5491

>  <Target> (2,259)
Bacterial

>  <Form> (2,259)
free base

>  <URL> (2,259)
http://selleckchem.com/products/.html

>  <CAS Number> (2,259)
98079-51-7

$$$$
S5505 2'-deoxyuridine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,260)
2260

>  <Formula> (2,260)
C9H12N2O5

>  <MolWeight> (2,260)
228.20198

>  <Item Name> (2,260)
2'-deoxyuridine

>  <Catalog Number> (2,260)
S5505

>  <Target> (2,260)
kinase

>  <URL> (2,260)
http://selleckchem.com/products/.html

>  <CAS Number> (2,260)
951-78-0

$$$$
S5539 Olprinone.cdx
csChFnd80/10101813242D

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106730-54-5

$$$$
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csChFnd80/10101813242D

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102-37-4

$$$$
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85-73-4

$$$$
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csChFnd80/10101813242D

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>  <Target> (2,265)
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free base

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

>  <CAS Number> (2,265)
89213-87-6

$$$$
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csChFnd80/10101813242D

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2266

>  <Formula> (2,266)
C18H28NO4P

>  <MolWeight> (2,266)
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>  <Item Name> (2,266)
Dimemorfan phosphate

>  <Catalog Number> (2,266)
S5280

>  <Target> (2,266)
ER-alpha

>  <URL> (2,266)
http://selleckchem.com/products/.html

>  <CAS Number> (2,266)
36304-84-4

$$$$
S5287 Tiletamine Hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,267)
2267

>  <Formula> (2,267)
C12H18ClNOS

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259.79542

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Tiletamine Hydrochloride

>  <Catalog Number> (2,267)
S5287

>  <Target> (2,267)
ER-alpha

>  <URL> (2,267)
http://selleckchem.com/products/.html

>  <CAS Number> (2,267)
14176-50-2

$$$$
S5288 Estropipate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,268)
2268

>  <Formula> (2,268)
C22H32N2O5S

>  <MolWeight> (2,268)
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>  <Item Name> (2,268)
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>  <Catalog Number> (2,268)
S5288

>  <Target> (2,268)
Estrogen Receptor/ERR

>  <URL> (2,268)
http://selleckchem.com/products/.html

>  <CAS Number> (2,268)
7280-37-7

$$$$
S5303 N-Acetyl-DL-phenylalanine.cdx
csChFnd80/10101813242D

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    6.0610    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  4  6  1  0  0  0  0
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  6  7  2  0  0  0  0
  3  8  1  0  0  0  0
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M  END
>  <Mol_ID> (2,269)
2269

>  <Formula> (2,269)
C11H13NO3

>  <MolWeight> (2,269)
207.22582

>  <Item Name> (2,269)
N-Acetyl-DL-phenylalanine

>  <Catalog Number> (2,269)
S5303

>  <Synonyms> (2,269)
"2-acetamido-3-phenylpropanoic acid
Ac-DL-Phe-OH
N-acetylphenylalanine
N-acetylphenylalanine, (D)-iso

>  <Target> (2,269)
Others

>  <URL> (2,269)
http://selleckchem.com/products/.html

>  <CAS Number> (2,269)
2901-75-9

$$$$
S5395 Phenolphthalein.cdx
csChFnd80/10101813242D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.7582    5.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1817    3.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5820    6.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2325    4.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  6 12  1  0  0  0  0
  7 14  2  0  0  0  0
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M  END
>  <Mol_ID> (2,270)
2270

>  <Formula> (2,270)
C20H14O4

>  <MolWeight> (2,270)
318.32276

>  <Item Name> (2,270)
Phenolphthalein

>  <Catalog Number> (2,270)
S5395

>  <Target> (2,270)
Fluorescent Dyes/Probes

>  <Form> (2,270)
free base

>  <URL> (2,270)
http://selleckchem.com/products/.html

>  <CAS Number> (2,270)
77-09-8

$$$$
S5396 4'-Hydroxypropiophenone.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7000    0.0000    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
  1  4  1  0  0  0  0
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  6  9  1  0  0  0  0
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  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,271)
2271

>  <Formula> (2,271)
C9H10O2

>  <MolWeight> (2,271)
150.1745

>  <Item Name> (2,271)
4'-Hydroxypropiophenone

>  <Catalog Number> (2,271)
S5396

>  <Target> (2,271)
APE1

>  <Form> (2,271)
free base

>  <URL> (2,271)
http://selleckchem.com/products/.html

>  <CAS Number> (2,271)
70-70-2 

$$$$
S5397 Chlorhexidine.cdx
csChFnd80/10101813242D

 34 35  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    2.1000    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
    3.6373    4.2000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   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
    6.0622    4.2000    0.0000 N   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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    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> (2,272)
2272

>  <Formula> (2,272)
C22H30Cl2N10

>  <MolWeight> (2,272)
505.4466

>  <Item Name> (2,272)
Chlorhexidine

>  <Catalog Number> (2,272)
S5397

>  <Target> (2,272)
Bacterial

>  <Form> (2,272)
free base

>  <URL> (2,272)
http://selleckchem.com/products/.html

>  <CAS Number> (2,272)
55-56-1

$$$$
S5398 Nefazodone hydrochloride.cdx
csChFnd80/10101813242D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,273)
2273

>  <Formula> (2,273)
C25H33Cl2N5O2

>  <MolWeight> (2,273)
506.46782

>  <Item Name> (2,273)
Nefazodone hydrochloride

>  <Catalog Number> (2,273)
S5398

>  <Target> (2,273)
5-HT Receptor

>  <Form> (2,273)
free base

>  <URL> (2,273)
http://selleckchem.com/products/.html

>  <CAS Number> (2,273)
82752-99-6

$$$$
S5477 Gefarnate.cdx
csChFnd80/10101813242D

 29 28  0  0  0  0  0  0  0  0999 V2000
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35700-23-3

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54-36-4

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2321-07-5

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5852-78-8

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C6H12O6

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>  <Target> (2,285)
Others

>  <Form> (2,285)
free base

>  <URL> (2,285)
http://selleckchem.com/products/.html

>  <CAS Number> (2,285)
87-81-0 

$$$$
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csChFnd80/10101813242D

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S5546

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Bacterial

>  <Form> (2,286)
free base

>  <URL> (2,286)
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>  <CAS Number> (2,286)
144-80-9

$$$$
S5600 Flavokawain A.cdx
csChFnd80/10101813242D

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M  END
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2287

>  <Formula> (2,287)
C18H18O5

>  <MolWeight> (2,287)
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>  <Item Name> (2,287)
Flavokawain A

>  <Catalog Number> (2,287)
S5600

>  <Target> (2,287)
ABCG2

>  <Form> (2,287)
free base

>  <URL> (2,287)
http://selleckchem.com/products/.html

>  <CAS Number> (2,287)
3420-72-2

$$$$
S5601 Balofloxacin Dihydrate.cdx
csChFnd80/10101813242D

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2288

>  <Formula> (2,288)
C20H28FN3O6

>  <MolWeight> (2,288)
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>  <Item Name> (2,288)
Balofloxacin Dihydrate

>  <Catalog Number> (2,288)
S5601

>  <Target> (2,288)
PPARD

>  <Form> (2,288)
free base

>  <URL> (2,288)
http://selleckchem.com/products/.html

>  <CAS Number> (2,288)
151060-21-8

$$$$
S5602 Gallocyanine.cdx
csChFnd80/10101813242D

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2289

>  <Formula> (2,289)
C15H13ClN2O5

>  <MolWeight> (2,289)
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>  <Item Name> (2,289)
Gallocyanine

>  <Catalog Number> (2,289)
S5602

>  <Target> (2,289)
Others

>  <Form> (2,289)
free base

>  <URL> (2,289)
http://selleckchem.com/products/.html

>  <CAS Number> (2,289)
1562-85-2

$$$$
S5603 5-Bromocytosine.cdx
csChFnd80/10101813242D

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XDH

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free base

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2240-25-7

$$$$
S5605 Tos-Arg-OMe.HCl.cdx
csChFnd80/10101813242D

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free base

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13080-85-8

$$$$
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$$$$
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879-37-8

$$$$
S5706 Edetate Trisodium.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,296)
2296

>  <Formula> (2,296)
C10H13N2Na3O8

>  <MolWeight> (2,296)
358.18813

>  <Item Name> (2,296)
Edetate Trisodium

>  <Catalog Number> (2,296)
S5706

>  <Target> (2,296)
Others

>  <Form> (2,296)
free base

>  <URL> (2,296)
http://selleckchem.com/products/.html

>  <CAS Number> (2,296)
150-38-9 

$$$$
S5503 O-Acetyl-L-carnitine hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,297)
2297

>  <Formula> (2,297)
C9H18ClNO4

>  <MolWeight> (2,297)
239.69652

>  <Item Name> (2,297)
O-Acetyl-L-carnitine hydrochloride

>  <Catalog Number> (2,297)
S5503

>  <Target> (2,297)
Others

>  <URL> (2,297)
http://selleckchem.com/products/.html

>  <CAS Number> (2,297)
5080-50-2

$$$$
S5504 Ropivacaine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,298)
2298

>  <Formula> (2,298)
C17H26N2O

>  <MolWeight> (2,298)
274.40114

>  <Item Name> (2,298)
Ropivacaine

>  <Catalog Number> (2,298)
S5504

>  <Target> (2,298)
Potassium Channel

>  <URL> (2,298)
http://selleckchem.com/products/.html

>  <CAS Number> (2,298)
84057-95-4

$$$$
S5617 Myristic Acid.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,299)
2299

>  <Formula> (2,299)
C14H28O2

>  <MolWeight> (2,299)
228.37092

>  <Item Name> (2,299)
Myristic Acid

>  <Catalog Number> (2,299)
S5617

>  <Form> (2,299)
free base

>  <CAS Number> (2,299)
544-63-8

$$$$
S5619 Betahistine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,300)
2300

>  <Formula> (2,300)
C8H12N2

>  <MolWeight> (2,300)
136.19428

>  <Item Name> (2,300)
Betahistine

>  <Catalog Number> (2,300)
S5619

>  <Target> (2,300)
Histamine Receptor

>  <Form> (2,300)
free base

>  <URL> (2,300)
http://selleckchem.com/products/.html

>  <CAS Number> (2,300)
5638-76-6

$$$$
S5637 Cefotiam Hexetil Hydrochloride.cdx
csChFnd80/10101813242D

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 45 46  1  0  0  0  0
  2 49  1  6  0  0  0
M  END
>  <Mol_ID> (2,301)
2301

>  <Formula> (2,301)
C27H39Cl2N9O7S3

>  <MolWeight> (2,301)
768.75566

>  <Item Name> (2,301)
Cefotiam Hexetil Hydrochloride

>  <Catalog Number> (2,301)
S5637

>  <Target> (2,301)
Others

>  <Form> (2,301)
free base

>  <URL> (2,301)
http://selleckchem.com/products/.html

>  <CAS Number> (2,301)
95789-30-3

$$$$
S5638 Cefozopran hydrochloride.cdx
csChFnd80/10101813242D

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 24 36  1  1  0  0  0
M  END
>  <Mol_ID> (2,302)
2302

>  <Formula> (2,302)
C19H18ClN9O5S2

>  <MolWeight> (2,302)
551.98652

>  <Item Name> (2,302)
Cefozopran hydrochloride

>  <Catalog Number> (2,302)
S5638

>  <Target> (2,302)
Others

>  <Form> (2,302)
free base

>  <URL> (2,302)
http://selleckchem.com/products/.html

>  <CAS Number> (2,302)
113981-44-5

$$$$
S5641 Rhodamine B.cdx
csChFnd80/10101813242D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2784    4.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,303)
2303

>  <Formula> (2,303)
C28H31ClN2O3

>  <MolWeight> (2,303)
479.01034

>  <Item Name> (2,303)
Rhodamine B

>  <Catalog Number> (2,303)
S5641

>  <Target> (2,303)
Others

>  <URL> (2,303)
http://selleckchem.com/products/.html

>  <CAS Number> (2,303)
81-88-9

$$$$
S5644 Ceftriaxone Sodium.cdx
csChFnd80/10101813242D

 39 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,304)
2304

>  <Formula> (2,304)
C18H16N8Na2O7S3

>  <MolWeight> (2,304)
598.54358

>  <Item Name> (2,304)
Ceftriaxone Sodium

>  <Catalog Number> (2,304)
S5644

>  <Target> (2,304)
Others

>  <Form> (2,304)
free base

>  <URL> (2,304)
http://selleckchem.com/products/.html

>  <CAS Number> (2,304)
74578-69-1

$$$$
S5650 Sodium Hyaluronate.cdx
csChFnd80/10101813242D

 30 29  0  0  0  0  0  0  0  0999 V2000
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http://selleckchem.com/products/.html

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9067-32-7

$$$$
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Berberine

>  <Catalog Number> (2,306)
S9046

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free base

>  <CAS Number> (2,306)
2086-83-1

$$$$
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csChFnd80/10101813242D

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6877-32-3

$$$$
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191729-45-0

$$$$
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csChFnd80/10101813242D

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2309

>  <Formula> (2,309)
C16H12O5

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Calycosin

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S9038

>  <Form> (2,309)
free base

>  <CAS Number> (2,309)
20575-57-9

$$$$
S9041 Corosolic acid.cdx
csChFnd80/10101813242D

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2310

>  <Formula> (2,310)
C30H48O4

>  <MolWeight> (2,310)
472.69972

>  <Item Name> (2,310)
Corosolic acid

>  <Catalog Number> (2,310)
S9041

>  <Form> (2,310)
free base

>  <CAS Number> (2,310)
4547-24-4

$$$$
S5653 Indigo carmine.cdx
csChFnd80/10101813242D

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2311

>  <Formula> (2,311)
C16H8N2Na2O8S2

>  <MolWeight> (2,311)
466.35286

>  <Item Name> (2,311)
Indigo carmine

>  <Catalog Number> (2,311)
S5653

>  <Target> (2,311)
Others

>  <Form> (2,311)
free base

>  <URL> (2,311)
http://selleckchem.com/products/.html

>  <CAS Number> (2,311)
860-22-0

$$$$
S5704 Myclobutanil.cdx
csChFnd80/10101813242D

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2312

>  <Formula> (2,312)
C15H17ClN4

>  <MolWeight> (2,312)
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>  <Item Name> (2,312)
Myclobutanil

>  <Catalog Number> (2,312)
S5704

>  <Target> (2,312)
Fungal

>  <Form> (2,312)
free base

>  <URL> (2,312)
http://selleckchem.com/products/.html

>  <CAS Number> (2,312)
88671-89-0

$$$$
S5710 Ambroxol.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,313)
2313

>  <Formula> (2,313)
C13H18Br2N2O

>  <MolWeight> (2,313)
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Ambroxol

>  <Catalog Number> (2,313)
S5710

>  <Target> (2,313)
Others

>  <URL> (2,313)
http://selleckchem.com/products/.html

>  <CAS Number> (2,313)
18683-91-5

$$$$
S9024 AKBA.cdx
csChFnd80/10101813242D

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62025-49-4

$$$$
S9008 20-Deoxyingenol.cdx
csChFnd80/10101813242D

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54706-99-9

$$$$
S9009 23-Hydroxybetulinic acid.cdx
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85999-40-2

$$$$
S9010 Bevirimat.cdx
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5373-11-5

$$$$
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csChFnd80/10101813242D

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>  <CAS Number> (2,328)
631-01-6

$$$$
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38243-03-7

$$$$
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free base

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14197-60-5

$$$$
S9040 Maslinic acid.cdx
csChFnd80/10101813242D

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S9040

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free base

>  <CAS Number> (2,331)
4373-41-5

$$$$
S5663 Minaprine dihydrochloride.cdx
csChFnd80/10101813242D

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C17H24Cl2N4O

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Minaprine dihydrochloride

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S5663

>  <Target> (2,332)
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free base

>  <URL> (2,332)
http://selleckchem.com/products/.html

>  <CAS Number> (2,332)
25905-77-5

$$$$
S5668 Chlorindione.cdx
csChFnd80/10101813242D

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S5668

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free base

>  <URL> (2,333)
http://selleckchem.com/products/.html

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1146-99-2

$$$$
S5680 (-)-Verbenone.cdx
csChFnd80/10101813242D

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free base

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1196-01-6

$$$$
S9357 Phenylacetaldehyde.cdx
csChFnd80/10101813242D

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122-78-1

$$$$
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csChFnd80/10101813242D

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>  <Formula> (2,336)
C44H43ClN2O8

>  <MolWeight> (2,336)
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>  <Item Name> (2,336)
Hydroxyzine pamoate

>  <Catalog Number> (2,336)
S5649

>  <Target> (2,336)
H1-receptor

>  <Form> (2,336)
free base

>  <URL> (2,336)
http://selleckchem.com/products/.html

>  <CAS Number> (2,336)
10246-75-0

$$$$
S5660 Clodronate disodium tetrahydrate.cdx
csChFnd80/10101813242D

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Clodronate disodium tetrahydrate

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free base

>  <URL> (2,337)
http://selleckchem.com/products/.html

>  <CAS Number> (2,337)
88416-50-6

$$$$
S5662 Ranitidine.cdx
csChFnd80/10101813242D

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Histamine Receptor

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free base

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66357-35-5

$$$$
S5664 Orphenadrine Hydrochloride.cdx
csChFnd80/10101813242D

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>  <Formula> (2,339)
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>  <MolWeight> (2,339)
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>  <Item Name> (2,339)
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>  <Catalog Number> (2,339)
S5664

>  <Target> (2,339)
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>  <Form> (2,339)
free base

>  <URL> (2,339)
http://selleckchem.com/products/.html

>  <CAS Number> (2,339)
341-69-5

$$$$
S5724 Dichlorophene.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,340)
2340

>  <Formula> (2,340)
C13H10Cl2O2

>  <MolWeight> (2,340)
269.1233

>  <Item Name> (2,340)
Dichlorophene

>  <Catalog Number> (2,340)
S5724

>  <Target> (2,340)
VDR

>  <Form> (2,340)
free base

>  <URL> (2,340)
http://selleckchem.com/products/.html

>  <CAS Number> (2,340)
97-23-4

$$$$
S5731 Glyceryl tridecanoate.cdx
csChFnd80/10101813242D

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   26.6736    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> (2,341)
2341

>  <Formula> (2,341)
C33H62O6

>  <MolWeight> (2,341)
554.84178

>  <Item Name> (2,341)
Glyceryl tridecanoate

>  <Catalog Number> (2,341)
S5731

>  <Target> (2,341)
Others

>  <Form> (2,341)
free base

>  <URL> (2,341)
http://selleckchem.com/products/.html

>  <CAS Number> (2,341)
621-71-6

$$$$
S5732 Sebacic acid.cdx
csChFnd80/10101813242D

 14 13  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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   10.9119    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> (2,342)
2342

>  <Formula> (2,342)
C10H18O4

>  <MolWeight> (2,342)
202.24752

>  <Item Name> (2,342)
Sebacic acid

>  <Catalog Number> (2,342)
S5732

>  <Target> (2,342)
Others

>  <Form> (2,342)
free base

>  <URL> (2,342)
http://selleckchem.com/products/.html

>  <CAS Number> (2,342)
111-20-6

$$$$
S5733 Stearic acid.cdx
csChFnd80/10101813242D

 20 19  0  0  0  0  0  0  0  0999 V2000
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   15.7617    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> (2,343)
2343

>  <Formula> (2,343)
C18H36O2

>  <MolWeight> (2,343)
284.47724

>  <Item Name> (2,343)
Stearic acid

>  <Catalog Number> (2,343)
S5733

>  <Target> (2,343)
NF-kB

>  <Form> (2,343)
free base

>  <URL> (2,343)
http://selleckchem.com/products/.html

>  <CAS Number> (2,343)
57-11-4 

$$$$
S9328 5,6,7-Trimethoxyflavone.cdx
csChFnd80/10101813242D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,344)
2344

>  <Formula> (2,344)
C18H16O5

>  <MolWeight> (2,344)
312.31664

>  <Item Name> (2,344)
5,6,7-Trimethoxyflavone

>  <Catalog Number> (2,344)
S9328

>  <Form> (2,344)
free base

>  <CAS Number> (2,344)
973-67-1

$$$$
S9339 S-(-)-Cotinine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,345)
2345

>  <Formula> (2,345)
C10H12N2O

>  <MolWeight> (2,345)
176.21508

>  <Item Name> (2,345)
S-(-)-Cotinine

>  <Catalog Number> (2,345)
S9339

>  <Form> (2,345)
free base

>  <CAS Number> (2,345)
486-56-6

$$$$
S9341 3,4-Dimethoxycinnamic acid.cdx
csChFnd80/10101813242D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    1.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4999    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  7 12  1  0  0  0  0
 14 15  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,346)
2346

>  <Formula> (2,346)
C11H12O4

>  <MolWeight> (2,346)
208.21058

>  <Item Name> (2,346)
3,4-Dimethoxycinnamic acid

>  <Catalog Number> (2,346)
S9341

>  <Form> (2,346)
free base

>  <CAS Number> (2,346)
2316-26-9

$$$$
S9342 1,4-Naphthoquinone.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4236    3.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    4.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    4.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472    3.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    5.6043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,347)
2347

>  <Formula> (2,347)
C10H6O2

>  <MolWeight> (2,347)
158.15344

>  <Item Name> (2,347)
1,4-Naphthoquinone

>  <Catalog Number> (2,347)
S9342

>  <Form> (2,347)
free base

>  <CAS Number> (2,347)
130-15-4

$$$$
S9344 DL-Methionine.cdx
csChFnd80/10101813242D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    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
    1.2124    2.1000    0.0000 S   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  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,348)
2348

>  <Formula> (2,348)
C5H11NO2S

>  <MolWeight> (2,348)
149.21134

>  <Item Name> (2,348)
DL-Methionine

>  <Catalog Number> (2,348)
S9344

>  <Form> (2,348)
free base

>  <CAS Number> (2,348)
59-51-8

$$$$
S9349 D-(+)-Raffinose pentahydrate.cdx
csChFnd80/10101813242D

 39 36  0  0  0  0  0  0  0  0999 V2000
   10.8472    5.6540    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8604    4.2540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5129    6.9930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1616    5.5217    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4549    5.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6575    3.5443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7196    7.7227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7410    6.8376    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8731    4.3160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6054    6.5874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4563    4.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6658    2.1214    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8386    9.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1068    7.1453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2755    3.5359    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4646    1.3999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8848    1.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1061    9.7121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565    4.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4778    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545    3.5152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.4059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    4.2048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6195    5.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4293    3.4969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3987    6.2577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2078    4.1889    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4425    2.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    5.5628    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3855    7.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021    3.4775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    8.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1365   11.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7365   11.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365   10.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0365   10.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8365   10.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  6  2  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  6  0  0  0
  7  8  1  0  0  0  0
  8 14  1  1  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  6  0  0  0
 13 18  1  0  0  0  0
 15 19  1  1  0  0  0
 15 20  1  0  0  0  0
 16 21  1  1  0  0  0
 16 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  6  0  0  0
 24 22  1  6  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  6  0  0  0
 27 30  1  0  0  0  0
 27 31  1  1  0  0  0
 28 32  1  1  0  0  0
 28 30  1  0  0  0  0
 30 33  1  1  0  0  0
 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (2,349)
2349

>  <Formula> (2,349)
C18H42O21

>  <MolWeight> (2,349)
594.51348

>  <Item Name> (2,349)
D-(+)-Raffinose pentahydrate

>  <Catalog Number> (2,349)
S9349

>  <Form> (2,349)
free base

>  <CAS Number> (2,349)
17629-30-0

$$$$
S9351 2'-Deoxyadenosine monohydrate.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.8967    5.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282    5.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    4.0479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0738    6.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282    7.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4406    5.1120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.6152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    2.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967    7.6446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4406    7.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6531    5.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.2152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4641    1.7826    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6531    7.2120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4406    9.3120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967    0.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3186    2.8036    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  2  0  0  0  0
 10 15  1  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> (2,350)
2350

>  <Formula> (2,350)
C10H15N5O4

>  <MolWeight> (2,350)
269.2572

>  <Item Name> (2,350)
2'-Deoxyadenosine monohydrate

>  <Catalog Number> (2,350)
S9351

>  <Form> (2,350)
free base

>  <CAS Number> (2,350)
16373-93-6

$$$$
S9353 L-serine.cdx
csChFnd80/10101813242D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4165    1.4032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6280    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    1.4032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    3.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,351)
2351

>  <Formula> (2,351)
C3H7NO3

>  <MolWeight> (2,351)
105.09258

>  <Item Name> (2,351)
L-serine

>  <Catalog Number> (2,351)
S9353

>  <Form> (2,351)
free base

>  <CAS Number> (2,351)
56-45-1

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8412    3.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567    2.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0498    1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4363    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    5.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    3.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    4.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069    3.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  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  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 14  1  0  0  0  0
  9 12  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,352)
2352

>  <Formula> (2,352)
C15H8O4

>  <MolWeight> (2,352)
252.22162

>  <Item Name> (2,352)
Anthraquinone-2-carboxylic Acid

>  <Catalog Number> (2,352)
S9359

>  <Form> (2,352)
free base

>  <CAS Number> (2,352)
117-78-2

$$$$
S9373 Neryl acetate.cdx
csChFnd80/10101813242D

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    1.2176    4.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9068    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,353)
2353

>  <Formula> (2,353)
C12H20O2

>  <MolWeight> (2,353)
196.286

>  <Item Name> (2,353)
Neryl acetate

>  <Catalog Number> (2,353)
S9373

>  <Form> (2,353)
free base

>  <CAS Number> (2,353)
141-12-8

$$$$
S9375 2'-Hydroxyacetophenone.cdx
csChFnd80/10101813242D

 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
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M  END
>  <Mol_ID> (2,354)
2354

>  <Formula> (2,354)
C8H8O2

>  <MolWeight> (2,354)
136.14792

>  <Item Name> (2,354)
2'-Hydroxyacetophenone

>  <Catalog Number> (2,354)
S9375

>  <Form> (2,354)
free base

>  <CAS Number> (2,354)
118-93-4

$$$$
S9376 Benzylacetone.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4385    2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    0.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8591    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2069    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,355)
2355

>  <Formula> (2,355)
C10H12O

>  <MolWeight> (2,355)
148.20168

>  <Item Name> (2,355)
Benzylacetone

>  <Catalog Number> (2,355)
S9376

>  <Form> (2,355)
free base

>  <CAS Number> (2,355)
2550-26-7

$$$$
S9377 Eugenyl acetate.cdx
csChFnd80/10101813242D

 15 15  0  0  0  0  0  0  0  0999 V2000
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    4.8464    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,356)
2356

>  <Formula> (2,356)
C12H14O3

>  <MolWeight> (2,356)
206.23776

>  <Item Name> (2,356)
Eugenyl acetate

>  <Catalog Number> (2,356)
S9377

>  <Form> (2,356)
free base

>  <CAS Number> (2,356)
93-28-7

$$$$
S9379 Dihydrocoumarin.cdx
csChFnd80/10101813242D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4327    0.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2149    2.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016    2.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,357)
2357

>  <Formula> (2,357)
C9H8O2

>  <MolWeight> (2,357)
148.15862

>  <Item Name> (2,357)
Dihydrocoumarin

>  <Catalog Number> (2,357)
S9379

>  <Form> (2,357)
free base

>  <CAS Number> (2,357)
119-84-6

$$$$
S9381 5-Methyl furfural.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6094    1.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4703    0.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892    3.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387    1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3386    1.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7938    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2229    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,358)
2358

>  <Formula> (2,358)
C6H6O2

>  <MolWeight> (2,358)
110.11064

>  <Item Name> (2,358)
5-Methyl furfural

>  <Catalog Number> (2,358)
S9381

>  <Target> (2,358)
Others

>  <Form> (2,358)
free base

>  <CAS Number> (2,358)
620-02-0

$$$$
S5723 Carvedilol EP IMpurity E.cdx
csChFnd80/10101813242D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,359)
2359

>  <Formula> (2,359)
C9H14ClNO2

>  <MolWeight> (2,359)
203.66596

>  <Item Name> (2,359)
Carvedilol EP IMpurity E

>  <Catalog Number> (2,359)
S5723

>  <Target> (2,359)
Others

>  <Form> (2,359)
free base

>  <URL> (2,359)
http://selleckchem.com/products/.html

>  <CAS Number> (2,359)
64464-07-9

$$$$
S5725 Pempidine.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,360)
2360

>  <Formula> (2,360)
C10H21N

>  <MolWeight> (2,360)
155.28044

>  <Item Name> (2,360)
Pempidine

>  <Catalog Number> (2,360)
S5725

>  <Target> (2,360)
Others

>  <Form> (2,360)
free base

>  <URL> (2,360)
http://selleckchem.com/products/.html

>  <CAS Number> (2,360)
79-55-0 

$$$$
S5729 Fosfosal.cdx
csChFnd80/10101813242D

 14 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,361)
2361

>  <Formula> (2,361)
C7H7O6P

>  <MolWeight> (2,361)
218.100641

>  <Item Name> (2,361)
Fosfosal

>  <Catalog Number> (2,361)
S5729

>  <Target> (2,361)
GLI3

>  <Form> (2,361)
free base

>  <URL> (2,361)
http://selleckchem.com/products/.html

>  <CAS Number> (2,361)
6064-83-1

$$$$
S9331 7-Hydroxy-4-methyl-8-nitrocoumarin.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
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19037-69-5

$$$$
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csChFnd80/10101813242D

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5989-27-5

$$$$
S9338 Octyl gallate.cdx
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1034-01-1

$$$$
S9363 Coumarin 151.cdx
csChFnd80/10101813242D

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53518-15-3

$$$$
S9372 Ethyl palmitate.cdx
csChFnd80/10101813242D

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628-97-7

$$$$
S9380 5,7-Dihydroxy-4-methylcoumarin.cdx
csChFnd80/10101813242D

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2107-76-8

$$$$
S9382 Thymine.cdx
csChFnd80/10101813242D

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65-71-4

$$$$
S9383 Methyl palmitate.cdx
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>  <Item Name> (2,369)
Methyl palmitate

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S9383

>  <Target> (2,369)
Others

>  <Form> (2,369)
free base

>  <CAS Number> (2,369)
112-39-0

$$$$
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csChFnd80/10101813242D

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C11H24O

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free base

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1653-30-1

$$$$
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csChFnd80/10101813242D

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>  <Mol_ID> (2,371)
2371

>  <Formula> (2,371)
C15H19NO2

>  <MolWeight> (2,371)
245.31686

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Tasimelteon

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S4281

>  <Target> (2,371)
Melatonin Receptor

>  <Form> (2,371)
free base

>  <URL> (2,371)
http://selleckchem.com/products/.html

>  <CAS Number> (2,371)
609799-22-6  

$$$$
S5010 Indometacin Sodium.cdx
csChFnd80/10101813242D

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2372

>  <Formula> (2,372)
C19H21ClNNaO7

>  <MolWeight> (2,372)
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Indometacin Sodium

>  <Catalog Number> (2,372)
S5010

>  <Target> (2,372)
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>  <Form> (2,372)
sodium salt trihydrate 

>  <URL> (2,372)
http://selleckchem.com/products/.html

>  <CAS Number> (2,372)
74252-25-8

$$$$
S5067 Losartan.cdx
csChFnd80/10101813242D

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2373

>  <Formula> (2,373)
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>  <MolWeight> (2,373)
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>  <Item Name> (2,373)
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>  <Catalog Number> (2,373)
S5067

>  <Target> (2,373)
Angiotensin Receptor

>  <Form> (2,373)
free base

>  <URL> (2,373)
http://selleckchem.com/products/.html

>  <CAS Number> (2,373)
114798-26-4

$$$$
S5203 Sulbutiamine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,374)
2374

>  <Formula> (2,374)
C32H46N8O6S2

>  <MolWeight> (2,374)
702.88764

>  <Item Name> (2,374)
Sulbutiamine

>  <Catalog Number> (2,374)
S5203

>  <Target> (2,374)
Others

>  <Form> (2,374)
free base

>  <URL> (2,374)
http://selleckchem.com/products/.html

>  <CAS Number> (2,374)
3286-46-2

$$$$
S5217 Arformoterol Tartrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,375)
2375

>  <Formula> (2,375)
C23H30N2O10

>  <MolWeight> (2,375)
494.4917

>  <Item Name> (2,375)
Arformoterol Tartrate

>  <Catalog Number> (2,375)
S5217

>  <Synonyms> (2,375)
(R,R)-Formoterol

>  <Target> (2,375)
Others

>  <Form> (2,375)
Tartrate

>  <URL> (2,375)
http://selleckchem.com/products/.html

>  <CAS Number> (2,375)
200815-49-2

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,376)
2376

>  <Formula> (2,376)
C43H44ClFN4O11S3

>  <MolWeight> (2,376)
943.4760632

>  <Item Name> (2,376)
Lapatinib ditosylate monohydrate

>  <Catalog Number> (2,376)
S5241

>  <Synonyms> (2,376)
Tykerb Ditosylate

>  <Target> (2,376)
Others

>  <Form> (2,376)
ditosylate monohydrate

>  <URL> (2,376)
http://selleckchem.com/products/.html

>  <CAS Number> (2,376)
388082-78-8

$$$$
S5263 Pyrroloquinoline Quinone Disodium Salt.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,377)
2377

>  <Formula> (2,377)
C14H4N2Na2O8

>  <MolWeight> (2,377)
374.1697

>  <Item Name> (2,377)
Pyrroloquinoline Quinone Disodium Salt

>  <Catalog Number> (2,377)
S5263

>  <Synonyms> (2,377)
pqq,methoxatin disodium salt

>  <Target> (2,377)
Others

>  <Form> (2,377)
disodium salt

>  <URL> (2,377)
http://selleckchem.com/products/.html

>  <CAS Number> (2,377)
122628-50-6

$$$$
S5676 Zearalenone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,378)
2378

>  <Formula> (2,378)
C18H22O5

>  <MolWeight> (2,378)
318.36428

>  <Item Name> (2,378)
Zearalenone

>  <Catalog Number> (2,378)
S5676

>  <Target> (2,378)
ER

>  <Form> (2,378)
free base

>  <URL> (2,378)
http://selleckchem.com/products/.html

>  <CAS Number> (2,378)
17924-92-4

$$$$
S5728 Delapril Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,379)
2379

>  <Formula> (2,379)
C26H33ClN2O5

>  <MolWeight> (2,379)
489.00362

>  <Item Name> (2,379)
Delapril Hydrochloride

>  <Catalog Number> (2,379)
S5728

>  <Target> (2,379)
RXRA

>  <Form> (2,379)
hydrochloride 

>  <URL> (2,379)
http://selleckchem.com/products/.html

>  <CAS Number> (2,379)
83435-67-0 

$$$$
S5730 Alimemazine Tartrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,380)
2380

>  <Formula> (2,380)
C40H50N4O6S2

>  <MolWeight> (2,380)
746.9782

>  <Item Name> (2,380)
Alimemazine Tartrate

>  <Catalog Number> (2,380)
S5730

>  <Target> (2,380)
Others

>  <Form> (2,380)
tartrate

>  <URL> (2,380)
http://selleckchem.com/products/.html

>  <CAS Number> (2,380)
4330-99-8 

$$$$
GI254023X.cdx
csChFnd80/10101813242D

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GI 4023

>  <Target> (2,381)
Immunology & Inflammation related

>  <Form> (2,381)
free base

>  <URL> (2,381)
http://selleckchem.com/products/gi254023x.html

>  <CAS Number> (2,381)
260264-93-5

$$$$
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csChFnd80/10101813242D

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>  <Mol_ID> (2,382)
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>  <Formula> (2,382)
C49H55N9O7

>  <MolWeight> (2,382)
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>  <Item Name> (2,382)
Elbasvir

>  <Catalog Number> (2,382)
S5652

>  <Synonyms> (2,382)
MK8742

>  <Target> (2,382)
HCV Protease

>  <Form> (2,382)
free base

>  <URL> (2,382)
http://selleckchem.com/products/elbasvir.html

>  <CAS Number> (2,382)
1370468-36-2

$$$$
S5654 Indacaterol.cdx
csChFnd80/10101813242D

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>  <Formula> (2,383)
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>  <Item Name> (2,383)
Indacaterol

>  <Catalog Number> (2,383)
S5654

>  <Synonyms> (2,383)
N/A

>  <Target> (2,383)
Adrenergic Receptor

>  <Form> (2,383)
free base

>  <URL> (2,383)
http://selleckchem.com/products/indacaterol.html

>  <CAS Number> (2,383)
312753-06-3

$$$$
S5655 Venlafaxine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,384)
2384

>  <Formula> (2,384)
C17H27NO2

>  <MolWeight> (2,384)
277.40178

>  <Item Name> (2,384)
Venlafaxine

>  <Catalog Number> (2,384)
S5655

>  <Synonyms> (2,384)
Wy 45030

>  <Target> (2,384)
5-HT Receptor

>  <URL> (2,384)
http://selleckchem.com/products/venlafaxine.html

>  <CAS Number> (2,384)
93413-69-5

$$$$
S5657 Ertapenem sodium.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,385)
2385

>  <Formula> (2,385)
C22H24N3NaO7S

>  <MolWeight> (2,385)
497.49663

>  <Item Name> (2,385)
Ertapenem sodium

>  <Catalog Number> (2,385)
S5657

>  <Synonyms> (2,385)
MK826

>  <Target> (2,385)
Anti-infection

>  <Form> (2,385)
sodium salt

>  <URL> (2,385)
http://selleckchem.com/products/ertapenem-sodium.html

>  <CAS Number> (2,385)
153773-82-1

$$$$
S5659 Emedastine.cdx
csChFnd80/10101813242D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,386)
2386

>  <Formula> (2,386)
C17H26N4O

>  <MolWeight> (2,386)
302.41454

>  <Item Name> (2,386)
Emedastine

>  <Catalog Number> (2,386)
S5659

>  <Synonyms> (2,386)
N/A

>  <Target> (2,386)
Histamine Receptor

>  <Form> (2,386)
free base

>  <URL> (2,386)
http://selleckchem.com/products/emedastine.html

>  <CAS Number> (2,386)
87233-61-2

$$$$
S5661 Tiaprofenic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,387)
2387

>  <Formula> (2,387)
C14H12O3S

>  <MolWeight> (2,387)
260.30828

>  <Item Name> (2,387)
Tiaprofenic acid

>  <Catalog Number> (2,387)
S5661

>  <Synonyms> (2,387)
Tiaprofensaeure, Acido tiaprofenico

>  <Target> (2,387)
Immunology & Inflammation related

>  <Form> (2,387)
free base

>  <URL> (2,387)
http://selleckchem.com/products/tiaprofenic-acid.html

>  <CAS Number> (2,387)
33005-95-7

$$$$
S5678 trans-Zeatin-riboside.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,388)
2388

>  <Formula> (2,388)
C15H21N5O5

>  <MolWeight> (2,388)
351.35774

>  <Item Name> (2,388)
trans-Zeatin-riboside

>  <Catalog Number> (2,388)
S5678

>  <Synonyms> (2,388)
N/A

>  <Target> (2,388)
Others

>  <URL> (2,388)
http://selleckchem.com/products/trans-zeatin-riboside.html

>  <CAS Number> (2,388)
6025-53-2

$$$$
S5705 Raceanisodamine.cdx
csChFnd80/10101813242D

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>  <Item Name> (2,389)
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7¦Â-Hydroxyhyoscyamine

>  <Target> (2,389)
Others

>  <Form> (2,389)
free base

>  <URL> (2,389)
http://selleckchem.com/products/raceanisodamine.html

>  <CAS Number> (2,389)
17659-49-3

$$$$
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csChFnd80/10101813242D

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>  <Formula> (2,390)
C21H28O2

>  <MolWeight> (2,390)
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>  <Item Name> (2,390)
Norgestrel

>  <Catalog Number> (2,390)
S5709

>  <Target> (2,390)
CDK

>  <Form> (2,390)
free base

>  <URL> (2,390)
http://selleckchem.com/products/abemaciclib.html

>  <CAS Number> (2,390)
6533-00-2 

$$$$
S5711 Deracoxib.cdx
csChFnd80/10101813242D

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>  <Formula> (2,391)
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>  <MolWeight> (2,391)
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Deracoxib

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SC-046

>  <Target> (2,391)
COX

>  <Form> (2,391)
free base

>  <URL> (2,391)
http://selleckchem.com/products/deracoxib.html

>  <CAS Number> (2,391)
169590-41-4 

$$$$
S5714 lurasidone.cdx
csChFnd80/10101813242D

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>  <Formula> (2,392)
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>  <MolWeight> (2,392)
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>  <Item Name> (2,392)
lurasidone

>  <Catalog Number> (2,392)
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>  <Synonyms> (2,392)
SM-13496

>  <Target> (2,392)
Dopamine Receptor,5-HT Receptor

>  <Form> (2,392)
free base

>  <URL> (2,392)
http://selleckchem.com/products/lurasidone.html

>  <CAS Number> (2,392)
367514-87-2

$$$$
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1352792-74-5

$$$$

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M  END
>  <Mol_ID> (2,397)
2520

>  <Formula> (2,397)
C11H17ClN4O4

>  <MolWeight> (2,397)
304.73008

>  <Item Name> (2,397)
Dexrazoxane Hydrochloride

>  <Catalog Number> (2,397)
S1222

>  <Synonyms> (2,397)
Totect, ICRF-187, Zinecard, Cardioxane

>  <Target> (2,397)
Others

>  <Form> (2,397)
Hydrochloride

>  <URL> (2,397)
http://www.selleckchem.com/products/Dexrazoxane-Hydrochloride.html

>  <CAS Number> (2,397)
149003-01-0

$$$$
Ellence (Epirubicin Hydrochloride).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,398)
2521

>  <Formula> (2,398)
C27H30ClNO11

>  <MolWeight> (2,398)
579.9802

>  <Item Name> (2,398)
Epirubicin Hydrochloride

>  <Catalog Number> (2,398)
S1223

>  <Synonyms> (2,398)
Ellence, Pharmorubicin, Epirubicin Ebewe

>  <Target> (2,398)
Topoisomerase 

>  <Form> (2,398)
Hydrochloride

>  <URL> (2,398)
http://www.selleckchem.com/products/Ellence.html

>  <CAS Number> (2,398)
56390-09-1

$$$$
Etoposide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,399)
2522

>  <Formula> (2,399)
C29H32O13

>  <MolWeight> (2,399)
588.55658

>  <Item Name> (2,399)
Etoposide (VP-16)
Etoposide

>  <Catalog Number> (2,399)
S1225

>  <Synonyms> (2,399)
Vepesid 

>  <Target> (2,399)
Topoisomerase

>  <Form> (2,399)
Free Base

>  <URL> (2,399)
http://www.selleckchem.com/products/Etopophos.html

>  <CAS Number> (2,399)
33419-42-0

$$$$
KU-0063794.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,400)
2523

>  <Formula> (2,400)
C25H31N5O4

>  <MolWeight> (2,400)
465.54474

>  <Item Name> (2,400)
Ku-0063794

>  <Catalog Number> (2,400)
S1226

>  <Synonyms> (2,400)
N/A

>  <Target> (2,400)
mTOR 

>  <Form> (2,400)
Free Base

>  <URL> (2,400)
http://www.selleckchem.com/products/KU-0063794.html

>  <CAS Number> (2,400)
938440-64-3

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,401)
2524

>  <Formula> (2,401)
C28H28ClNO4S

>  <MolWeight> (2,401)
510.04422

>  <Item Name> (2,401)
Evista (Raloxifene Hydrochloride)

>  <Catalog Number> (2,401)
S1227

>  <Synonyms> (2,401)
Raloxifene Hydrochloride, keoxifene

>  <Target> (2,401)
Estrogen/progestogen Receptor

>  <Form> (2,401)
Hydrochloride

>  <URL> (2,401)
http://www.selleckchem.com/products/Evista.html

>  <CAS Number> (2,401)
82640-04-8

$$$$
Idarubicin Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,402)
2525

>  <Formula> (2,402)
C26H28ClNO9

>  <MolWeight> (2,402)
533.95482

>  <Item Name> (2,402)
Idarubicin HCl

>  <Catalog Number> (2,402)
S1228

>  <Synonyms> (2,402)
Idamycin, Zavedos, 4-demethoxydaunorubicin 

>  <Target> (2,402)
Topoisomerase

>  <Form> (2,402)
Hydrochloride

>  <URL> (2,402)
http://www.selleckchem.com/products/Idarubicin.html

>  <CAS Number> (2,402)
57852-57-0

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,403)
2526

>  <Formula> (2,403)
C10H13FN5O7P

>  <MolWeight> (2,403)
365.2116842

>  <Item Name> (2,403)
Fludarabine Phosphate (Fludara)

>  <Catalog Number> (2,403)
S1229

>  <Synonyms> (2,403)
N/A 

>  <Target> (2,403)
DNA/RNA Synthesis

>  <Form> (2,403)
Phosphate

>  <URL> (2,403)
http://www.selleckchem.com/products/Fludara.html

>  <CAS Number> (2,403)
75607-67-9

$$$$
Topotecan.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,404)
2527

>  <Formula> (2,404)
C23H24ClN3O5

>  <MolWeight> (2,404)
457.90676

>  <Item Name> (2,404)
Topotecan HCl

>  <Catalog Number> (2,404)
S1231

>  <Synonyms> (2,404)
Hycamtin, NSC 609699

>  <Target> (2,404)
Topoisomerase 

>  <Form> (2,404)
Hydrochloride

>  <URL> (2,404)
http://www.selleckchem.com/products/Topotecan-Hydrochloride.html

>  <CAS Number> (2,404)
119413-54-6

$$$$
2-Methoxyestradiol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,405)
2528

>  <Formula> (2,405)
C19H26O3

>  <MolWeight> (2,405)
302.40794

>  <Item Name> (2,405)
2-Methoxyestradiol

>  <Catalog Number> (2,405)
S1233

>  <Synonyms> (2,405)
2-ME2

>  <Target> (2,405)
HIF

>  <Form> (2,405)
Free Base

>  <URL> (2,405)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (2,405)
362-07-2

$$$$
Letrozole.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,406)
2529

>  <Formula> (2,406)
C17H11N5

>  <MolWeight> (2,406)
285.30274

>  <Item Name> (2,406)
Letrozole

>  <Catalog Number> (2,406)
S1235

>  <Synonyms> (2,406)
Femara, Piroxicam 

>  <Target> (2,406)
Aromatase 

>  <Form> (2,406)
Free Base

>  <URL> (2,406)
http://www.selleckchem.com/products/Letrozole.html

>  <CAS Number> (2,406)
112809-51-5

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,407)
2530

>  <Formula> (2,407)
C6H6N6O2

>  <MolWeight> (2,407)
194.15084

>  <Item Name> (2,407)
Temozolomide

>  <Catalog Number> (2,407)
S1237

>  <Synonyms> (2,407)
Methazolastone, Temodar, Temodal

>  <Target> (2,407)
DNA/RNA Synthesis

>  <Form> (2,407)
Free Base

>  <URL> (2,407)
http://www.selleckchem.com/products/Methazolastone.html

>  <CAS Number> (2,407)
85622-93-1

$$$$
Agomelatine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,408)
2531

>  <Formula> (2,408)
C15H17NO2

>  <MolWeight> (2,408)
243.30098

>  <Item Name> (2,408)
Agomelatine

>  <Catalog Number> (2,408)
S1243

>  <Synonyms> (2,408)
Valdoxan, Melitor, Thymanax

>  <Target> (2,408)
5-HT Receptor

>  <Form> (2,408)
Free Base

>  <URL> (2,408)
http://www.selleckchem.com/products/Agomelatine.html

>  <CAS Number> (2,408)
138112-76-2

$$$$
MP-470.cdx
csChFnd80/10101813242D

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c-Met, c-Kit, PDGFR, Flt, c-RET

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>  <CAS Number> (2,409)
850879-09-3

$$$$
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csChFnd80/10101813242D

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Leflunomide

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S1247

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Arava

>  <Target> (2,410)
Dehydrogenase

>  <Form> (2,410)
Free Base

>  <URL> (2,410)
http://www.selleckchem.com/products/Leflunomide.html

>  <CAS Number> (2,410)
75706-12-6

$$$$
JNJ-7706621.cdx
csChFnd80/10101813242D

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>  <Formula> (2,411)
C15H12F2N6O3S

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JNJ-7706621

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S1249

>  <Synonyms> (2,411)
N/A 

>  <Target> (2,411)
CDK, Aurora Kinase

>  <Form> (2,411)
Free Base

>  <URL> (2,411)
http://www.selleckchem.com/products/JNJ-7706621.html

>  <CAS Number> (2,411)
443797-96-4

$$$$
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>  <Formula> (2,412)
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MDV3100 (Enzalutamide)

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N/A 

>  <Target> (2,412)
Androgen Receptor, P450

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Free Base

>  <URL> (2,412)
http://www.selleckchem.com/products/MDV3100.html

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915087-33-1

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csChFnd80/10101813242D

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Natazia

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Estrogen/progestogen Receptor

>  <Form> (2,413)
Free Base

>  <URL> (2,413)
http://www.selleckchem.com/products/Dienogest.html

>  <CAS Number> (2,413)
65928-58-7

$$$$
nepafenac.cdx
csChFnd80/10101813242D

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  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (2,414)
2537

>  <Formula> (2,414)
C15H14N2O2

>  <MolWeight> (2,414)
254.28386

>  <Item Name> (2,414)
Nepafenac

>  <Catalog Number> (2,414)
S1255

>  <Synonyms> (2,414)
Nevanac

>  <Target> (2,414)
COX

>  <Form> (2,414)
Free Base

>  <URL> (2,414)
http://www.selleckchem.com/products/Nepafenac.html

>  <CAS Number> (2,414)
78281-72-8

$$$$
Posaconazole.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,415)
2538

>  <Formula> (2,415)
C37H42F2N8O4

>  <MolWeight> (2,415)
700.7773864

>  <Item Name> (2,415)
Posaconazole

>  <Catalog Number> (2,415)
S1257

>  <Synonyms> (2,415)
SCH56592

>  <Target> (2,415)
P450 (e.g. CYP17)

>  <Form> (2,415)
Free Base

>  <URL> (2,415)
http://www.selleckchem.com/products/Posaconazole.html

>  <CAS Number> (2,415)
171228-49-2

$$$$
Ramelteon.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,416)
2539

>  <Formula> (2,416)
C16H21NO2

>  <MolWeight> (2,416)
259.34344

>  <Item Name> (2,416)
Ramelteon

>  <Catalog Number> (2,416)
S1259

>  <Synonyms> (2,416)
TAK-375

>  <Target> (2,416)
MT Receptor

>  <Form> (2,416)
Free Base

>  <URL> (2,416)
http://www.selleckchem.com/products/Ramelteon.html

>  <CAS Number> (2,416)
196597-26-9

$$$$
s4261.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,417)
2540

>  <Formula> (2,417)
C18H18ClMnN2O4

>  <MolWeight> (2,417)
416.737569

>  <Item Name> (2,417)
EUK 134

>  <Catalog Number> (2,417)
S4261

>  <Synonyms> (2,417)
N/A

>  <Target> (2,417)
Beta Amyloid

>  <Form> (2,417)
Complex

>  <URL> (2,417)
http://www.selleckchem.com/products/euk-134.html

>  <CAS Number> (2,417)
81065-76-1

$$$$
Cinacalcet Hydrochloride.cdx
csChFnd80/10101813242D

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2541

>  <Formula> (2,418)
C22H23ClF3N

>  <MolWeight> (2,418)
393.8729296

>  <Item Name> (2,418)
AMG-073 HCl (Cinacalcet hydrochloride)

>  <Catalog Number> (2,418)
S1260

>  <Synonyms> (2,418)
Mimpara, Sensipar

>  <Target> (2,418)
CaSR

>  <Form> (2,418)
Hydrochloride

>  <URL> (2,418)
http://www.selleckchem.com/products/Cinacalcet-hydrochloride.html

>  <CAS Number> (2,418)
364782-34-3

$$$$
Celecoxib.cdx
csChFnd80/10101813242D

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2542

>  <Formula> (2,419)
C17H14F3N3O2S

>  <MolWeight> (2,419)
381.3721696

>  <Item Name> (2,419)
Celecoxib

>  <Catalog Number> (2,419)
S1261

>  <Synonyms> (2,419)
Celebrex, Celebra 

>  <Target> (2,419)
COX

>  <Form> (2,419)
Free Base

>  <URL> (2,419)
http://www.selleckchem.com/products/Celecoxib.html

>  <CAS Number> (2,419)
169590-42-5

$$$$
BMS-708163.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,420)
2543

>  <Formula> (2,420)
C20H17ClF4N4O4S

>  <MolWeight> (2,420)
520.8849928

>  <Item Name> (2,420)
BMS-708163 (Avagacestat)

>  <Catalog Number> (2,420)
S1262

>  <Synonyms> (2,420)
N/A 

>  <Target> (2,420)
Gamma-secretase

>  <Form> (2,420)
Free Base

>  <URL> (2,420)
http://www.selleckchem.com/products/BMS-708163.html

>  <CAS Number> (2,420)
1146699-66-2

$$$$
PD173074.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,421)
2544

>  <Formula> (2,421)
C28H41N7O3

>  <MolWeight> (2,421)
523.67024

>  <Item Name> (2,421)
PD173074

>  <Catalog Number> (2,421)
S1264

>  <Synonyms> (2,421)
N/A

>  <Target> (2,421)
FGFR, VEGFR

>  <Form> (2,421)
Free Base

>  <URL> (2,421)
http://www.selleckchem.com/products/PD-173074.html

>  <CAS Number> (2,421)
219580-11-7

$$$$
WYE-354.cdx
csChFnd80/10101813242D

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C24H29N7O5

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WYE-354

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S1266

>  <Synonyms> (2,422)
N/A

>  <Target> (2,422)
mTOR 

>  <Form> (2,422)
Free Base

>  <URL> (2,422)
http://www.selleckchem.com/products/WYE-354.html

>  <CAS Number> (2,422)
1062169-56-5

$$$$
PLX-4032.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,423)
2546

>  <Formula> (2,423)
C23H18ClF2N3O3S

>  <MolWeight> (2,423)
489.9221264

>  <Item Name> (2,423)
Vemurafenib (PLX4032, RG7204)

>  <Catalog Number> (2,423)
S1267

>  <Synonyms> (2,423)
RO5185426

>  <Target> (2,423)
Raf 

>  <Form> (2,423)
Free Base

>  <URL> (2,423)
http://www.selleckchem.com/products/PLX-4032.html

>  <CAS Number> (2,423)
918504-65-1

$$$$
Adapalene.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,424)
2547

>  <Formula> (2,424)
C28H28O3

>  <MolWeight> (2,424)
412.52012

>  <Item Name> (2,424)
Adapalene

>  <Catalog Number> (2,424)
S1276

>  <Synonyms> (2,424)
Differin

>  <Target> (2,424)
Retinoid Receptor

>  <Form> (2,424)
Free Base

>  <URL> (2,424)
http://www.selleckchem.com/products/Adapalene.html

>  <CAS Number> (2,424)
106685-40-9

$$$$
Altretamine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,425)
2548

>  <Formula> (2,425)
C9H18N6

>  <MolWeight> (2,425)
210.27942

>  <Item Name> (2,425)
Altretamine (Hexalen)

>  <Catalog Number> (2,425)
S1278

>  <Synonyms> (2,425)
Hexalen

>  <Target> (2,425)
DNA alkylator

>  <Form> (2,425)
Free Base

>  <URL> (2,425)
http://www.selleckchem.com/products/Altretamine.html

>  <CAS Number> (2,425)
645-05-6

$$$$
Amisulpride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,426)
2549

>  <Formula> (2,426)
C17H27N3O4S

>  <MolWeight> (2,426)
369.47898

>  <Item Name> (2,426)
Amisulpride

>  <Catalog Number> (2,426)
S1280

>  <Synonyms> (2,426)
Solian

>  <Target> (2,426)
Dopamine Receptor

>  <Form> (2,426)
Free Base

>  <URL> (2,426)
http://www.selleckchem.com/products/Amisulpride.html

>  <CAS Number> (2,426)
71675-85-9

$$$$
Aniracetam.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,427)
2550

>  <Formula> (2,427)
C12H13NO3

>  <MolWeight> (2,427)
219.23652

>  <Item Name> (2,427)
Aniracetam

>  <Catalog Number> (2,427)
S1281

>  <Synonyms> (2,427)
Draganon, Sarpul, Ampamet

>  <Target> (2,427)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (2,427)
Free Base

>  <URL> (2,427)
http://www.selleckchem.com/products/Aniracetam.html

>  <CAS Number> (2,427)
72432-10-1

$$$$
Asenapine maleate.cdx
csChFnd80/10101813242D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,428)
2551

>  <Formula> (2,428)
C21H20ClNO5

>  <MolWeight> (2,428)
401.8402

>  <Item Name> (2,428)
Asenapine maleate

>  <Catalog Number> (2,428)
S1283

>  <Synonyms> (2,428)
Saphris

>  <Target> (2,428)
Adrenergic Receptor, 5-HT Receptor

>  <Form> (2,428)
Maleate

>  <URL> (2,428)
http://www.selleckchem.com/products/Asenapine.html

>  <CAS Number> (2,428)
65576-45-6, 135883-08-8 (Maleic acid)

$$$$
Benazepril hydrochloride.cdx
csChFnd80/10101813242D

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    5.5098    4.7810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.3115    6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,429)
2552

>  <Formula> (2,429)
C24H29ClN2O5

>  <MolWeight> (2,429)
460.95046

>  <Item Name> (2,429)
Benazepril hydrochloride

>  <Catalog Number> (2,429)
S1284

>  <Synonyms> (2,429)
Lotensin

>  <Target> (2,429)
RAAS

>  <Form> (2,429)
Hydrochloride

>  <URL> (2,429)
http://www.selleckchem.com/products/Benazepril-hydrochloride.html

>  <CAS Number> (2,429)
86541-74-4

$$$$
Budesonide.cdx
csChFnd80/10101813242D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,430)
2553

>  <Formula> (2,430)
C25H34O6

>  <MolWeight> (2,430)
430.53386

>  <Item Name> (2,430)
Budesonide

>  <Catalog Number> (2,430)
S1286

>  <Synonyms> (2,430)
N/A

>  <Target> (2,430)
Glucocorticoid Receptor

>  <Form> (2,430)
Free Base

>  <URL> (2,430)
http://www.selleckchem.com/products/Budesonide.html

>  <CAS Number> (2,430)
51333-22-3

$$$$
Bumetanide.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,431)
2554

>  <Formula> (2,431)
C17H20N2O5S

>  <MolWeight> (2,431)
364.4161

>  <Item Name> (2,431)
Bumetanide

>  <Catalog Number> (2,431)
S1287

>  <Synonyms> (2,431)
Bumex

>  <Target> (2,431)
Others

>  <Form> (2,431)
Free Base

>  <URL> (2,431)
http://www.selleckchem.com/products/Bumetanide.html

>  <CAS Number> (2,431)
28395-03-1

$$$$
Carmofur.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,432)
2555

>  <Formula> (2,432)
C11H16FN3O3

>  <MolWeight> (2,432)
257.2614432

>  <Item Name> (2,432)
Carmofur

>  <Catalog Number> (2,432)
S1289

>  <Synonyms> (2,432)
HCFU

>  <Target> (2,432)
Antimetabolites

>  <Form> (2,432)
Free Base

>  <URL> (2,432)
http://www.selleckchem.com/products/Carmofur.html

>  <CAS Number> (2,432)
61422-45-5

$$$$
Celastrol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,433)
2556

>  <Formula> (2,433)
C29H38O4

>  <MolWeight> (2,433)
450.60962

>  <Item Name> (2,433)
Celastrol

>  <Catalog Number> (2,433)
S1290

>  <Synonyms> (2,433)
N/A

>  <Target> (2,433)
Proteasome

>  <Form> (2,433)
Free Base

>  <URL> (2,433)
http://www.selleckchem.com/products/Celastrol.html

>  <CAS Number> (2,433)
34157-83-0

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,434)
2557

>  <Formula> (2,434)
C21H27Cl3N2O3

>  <MolWeight> (2,434)
461.80968

>  <Item Name> (2,434)
Cetirizine Dihydrochloride

>  <Catalog Number> (2,434)
S1291

>  <Synonyms> (2,434)
Zyrtec, Reactine

>  <Target> (2,434)
Histamine Receptor

>  <Form> (2,434)
Dihydrochloride

>  <URL> (2,434)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (2,434)
83881-52-1

$$$$
Cilnidipine.cdx
csChFnd80/10101813242D

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 18 19  1  0  0  0  0
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 18 22  2  0  0  0  0
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 23 24  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
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 29 30  2  0  0  0  0
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 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,435)
2558

>  <Formula> (2,435)
C27H28N2O7

>  <MolWeight> (2,435)
492.52042

>  <Item Name> (2,435)
Cilnidipine

>  <Catalog Number> (2,435)
S1293

>  <Synonyms> (2,435)
FRC 8653 

>  <Target> (2,435)
Calcium Channel

>  <Form> (2,435)
Free Base

>  <URL> (2,435)
http://www.selleckchem.com/products/Cilnidipine.html

>  <CAS Number> (2,435)
132203-70-4

$$$$
DIETHYLSTILBESTROL (diethylstilbestrol).cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 12 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 12  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,436)
2559

>  <Formula> (2,436)
C18H20O2

>  <MolWeight> (2,436)
268.3502

>  <Item Name> (2,436)
Diethylstilbestrol

>  <Catalog Number> (2,436)
S1859

>  <Synonyms> (2,436)
Stilbestrol

>  <Target> (2,436)
Estrogen/progestogen Receptor

>  <Form> (2,436)
Free Base

>  <URL> (2,436)
http://www.selleckchem.com/products/Diethylstilbestrol(Stilbestrol).html

>  <CAS Number> (2,436)
56-53-1

$$$$
Diltiazem HCl.cdx
csChFnd80/10101813242D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.0318    7.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194    7.1473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6107    5.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9591    4.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.3351    7.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0533    3.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6566    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9566    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6566    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4296    8.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9177   10.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8232    9.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2666    5.8932    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  7  1  0  0  0  0
  7  1  2  0  0  0  0
  4  8  1  1  0  0  0
  5  9  1  1  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14  9  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  3 20  2  0  0  0  0
  2 21  1  0  0  0  0
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 23 24  1  0  0  0  0
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  7 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29  1  1  0  0  0  0
M  END
>  <Mol_ID> (2,437)
2560

>  <Formula> (2,437)
C22H27ClN2O4S

>  <MolWeight> (2,437)
450.97878

>  <Item Name> (2,437)
Diltiazem HCl

>  <Catalog Number> (2,437)
S1865

>  <Synonyms> (2,437)
RG 83606 HCl

>  <Target> (2,437)
Calcium Channel 

>  <Form> (2,437)
Hydrochloride

>  <URL> (2,437)
http://www.selleckchem.com/products/Diltiazem-HCl(Tiazac).html

>  <CAS Number> (2,437)
33286-22-5 

$$$$
Diphenhydramine hydrochloride.cdx
csChFnd80/10101813242D

 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
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    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
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   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
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  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 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> (2,438)
2561

>  <Formula> (2,438)
C17H22ClNO

>  <MolWeight> (2,438)
291.81568

>  <Item Name> (2,438)
Diphenhydramine HCl (Benadryl)

>  <Catalog Number> (2,438)
S1866

>  <Synonyms> (2,438)
Dimedrol

>  <Target> (2,438)
Histamine Receptor

>  <Form> (2,438)
Hydrochloride

>  <URL> (2,438)
http://www.selleckchem.com/products/Diphenhydramine-hydrochloride(Benadryl).html

>  <CAS Number> (2,438)
147-24-0 

$$$$
Dapoxetine hydrochloride.cdx
csChFnd80/10101813242D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.8287    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    3.3833    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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 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
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 14 15  1  6  0  0  0
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 16 17  1  0  0  0  0
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 15 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,439)
2562

>  <Formula> (2,439)
C21H24ClNO

>  <MolWeight> (2,439)
341.87436

>  <Item Name> (2,439)
Dapoxetine hydrochloride (Priligy)

>  <Catalog Number> (2,439)
S1869

>  <Synonyms> (2,439)
Priligy, LY-210448 hydrochloride

>  <Target> (2,439)
5-HT Receptor

>  <Form> (2,439)
Hydrochloride

>  <URL> (2,439)
http://www.selleckchem.com/products/Dapoxetine-hydrochloride(Priligy).html

>  <CAS Number> (2,439)
129938-20-1

$$$$
Anagrelide hydrochloride.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    1.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,440)
2563

>  <Formula> (2,440)
C10H8Cl3N3O

>  <MolWeight> (2,440)
292.54902

>  <Item Name> (2,440)
Anagrelide hydrochloride 

>  <Catalog Number> (2,440)
S3172

>  <Synonyms> (2,440)
N/A

>  <Target> (2,440)
PDE

>  <Form> (2,440)
Hydrochloride 

>  <URL> (2,440)
http://www.selleckchem.com/products/anagrelide-hydrochloride.html

>  <CAS Number> (2,440)
58579-51-4

$$$$
Antipyrine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,441)
2564

>  <Formula> (2,441)
C11H12N2O

>  <MolWeight> (2,441)
188.22578

>  <Item Name> (2,441)
Antipyrine

>  <Catalog Number> (2,441)
S3173

>  <Synonyms> (2,441)
N/A 

>  <Target> (2,441)
COX

>  <Form> (2,441)
Free Base

>  <URL> (2,441)
http://www.selleckchem.com/products/antipyrine.html

>  <CAS Number> (2,441)
60-80-0

$$$$
Felodipine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,442)
2565

>  <Formula> (2,442)
C18H19Cl2NO4

>  <MolWeight> (2,442)
384.25376

>  <Item Name> (2,442)
Felodipine (Plendil)

>  <Catalog Number> (2,442)
S1885

>  <Synonyms> (2,442)
Renedil, Feloday 

>  <Target> (2,442)
NULL

>  <Form> (2,442)
Free Base

>  <URL> (2,442)
http://www.selleckchem.com/products/Felodipine(Plendil).html

>  <CAS Number> (2,442)
72509-76-3

$$$$
Deflazacort.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,443)
2566

>  <Formula> (2,443)
C25H31NO6

>  <MolWeight> (2,443)
441.51674

>  <Item Name> (2,443)
Deflazacort (Calcort)

>  <Catalog Number> (2,443)
S1888

>  <Synonyms> (2,443)
Cortax, Decortil, Deflanil

>  <Target> (2,443)
Glucocorticoid Receptor

>  <Form> (2,443)
Free Base

>  <URL> (2,443)
http://www.selleckchem.com/products/Deflazacor.html

>  <CAS Number> (2,443)
14484-47-0

$$$$
Nizatidine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,444)
2567

>  <Formula> (2,444)
C12H21N5O2S2

>  <MolWeight> (2,444)
331.45744

>  <Item Name> (2,444)
Nizatidine

>  <Catalog Number> (2,444)
S1890

>  <Synonyms> (2,444)
Axid

>  <Target> (2,444)
Histamine Receptor

>  <Form> (2,444)
Free Base

>  <URL> (2,444)
http://www.selleckchem.com/products/Nizatidine(Axid).html

>  <CAS Number> (2,444)
76963-41-2

$$$$
Dyclonine hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,445)
2568

>  <Formula> (2,445)
C18H28ClNO2

>  <MolWeight> (2,445)
325.87342

>  <Item Name> (2,445)
Dyclonine hydrochloride

>  <Catalog Number> (2,445)
S2041

>  <Synonyms> (2,445)
N/A

>  <Target> (2,445)
Sodium Channel

>  <Form> (2,445)
Hydrochloride

>  <URL> (2,445)
http://www.selleckchem.com/products/dyclonine-hydrochloride.html

>  <CAS Number> (2,445)
536-43-6

$$$$
CARBILEV (carbidopa).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,446)
2569

>  <Formula> (2,446)
C10H14N2O4

>  <MolWeight> (2,446)
226.22916

>  <Item Name> (2,446)
Carbidopa

>  <Catalog Number> (2,446)
S1891

>  <Synonyms> (2,446)
Lodosyn

>  <Target> (2,446)
Decarboxylase

>  <Form> (2,446)
Free Base

>  <URL> (2,446)
http://www.selleckchem.com/products/Carbidopa.html

>  <CAS Number> (2,446)
28860-95-9

$$$$
VALSARTAN (valsartan).cdx
csChFnd80/10101813242D

 33 35  0  0  0  0  0  0  0  0999 V2000
    6.0411    5.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,447)
2570

>  <Formula> (2,447)
C24H29N5O3

>  <MolWeight> (2,447)
435.51876

>  <Item Name> (2,447)
Valsartan (Diovan)

>  <Catalog Number> (2,447)
S1894

>  <Synonyms> (2,447)
N/A 

>  <Target> (2,447)
RAAS

>  <Form> (2,447)
Free Base

>  <URL> (2,447)
http://www.selleckchem.com/products/Valsartan(Diovan).html

>  <CAS Number> (2,447)
137862-53-4

$$$$

csChFnd80/10101813242D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,448)
2571

>  <Formula> (2,448)
C24H40N8O4

>  <MolWeight> (2,448)
504.6256

>  <Item Name> (2,448)
Dipyridamole (Persantine)

>  <Catalog Number> (2,448)
S1895

>  <Synonyms> (2,448)
Permole

>  <Target> (2,448)
PDE

>  <Form> (2,448)
Free Base

>  <URL> (2,448)
http://www.selleckchem.com/products/Dipyridamole(Permole,-Persantine).html

>  <CAS Number> (2,448)
58-32-2

$$$$
Hydroxyurea.cdx
csChFnd80/10101813242D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    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
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (2,449)
2572

>  <Formula> (2,449)
CH4N2O2

>  <MolWeight> (2,449)
76.05466

>  <Item Name> (2,449)
Hydroxyurea (Cytodrox)

>  <Catalog Number> (2,449)
S1896

>  <Synonyms> (2,449)
Hydrea, Biosupressin

>  <Target> (2,449)
DNA/RNA Synthesis

>  <Form> (2,449)
Free Base

>  <URL> (2,449)
http://www.selleckchem.com/products/Hydroxyurea(Cytodrox).html

>  <CAS Number> (2,449)
127-07-1

$$$$
IOSAT (potassium iodide).cdx
csChFnd80/10101813242D

  2  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
M  END
>  <Mol_ID> (2,450)
2573

>  <Formula> (2,450)
IK

>  <MolWeight> (2,450)
166.00277

>  <Item Name> (2,450)
Potassium iodide

>  <Catalog Number> (2,450)
S1897

>  <Synonyms> (2,450)
N/A 

>  <Target> (2,450)
Others

>  <Form> (2,450)
Inorganic salt

>  <URL> (2,450)
http://www.selleckchem.com/products/Potassium-iodide.html

>  <CAS Number> (2,450)
7681-11-0

$$$$
Tropisetron hydrochloride.cdx
csChFnd80/10101813242D

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 10  9  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,451)
2574

>  <Formula> (2,451)
C17H21ClN2O2

>  <MolWeight> (2,451)
320.81384

>  <Item Name> (2,451)
Tropisetron HCl

>  <Catalog Number> (2,451)
S1898

>  <Synonyms> (2,451)
Navoban

>  <Target> (2,451)
5-HT Receptor

>  <Form> (2,451)
Hydrochloride

>  <URL> (2,451)
http://www.selleckchem.com/products/Tropisetron-hydrochloride.html

>  <CAS Number> (2,451)
105826-92-4 

$$$$
Nicotinamide.cdx
csChFnd80/10101813242D

  9  9  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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M  END
>  <Mol_ID> (2,452)
2575

>  <Formula> (2,452)
C6H6N2O

>  <MolWeight> (2,452)
122.12464

>  <Item Name> (2,452)
Nicotinamide (Vitamin B3)

>  <Catalog Number> (2,452)
S1899

>  <Synonyms> (2,452)
Niacinamide

>  <Target> (2,452)
Sirtuin

>  <Form> (2,452)
Free Base

>  <URL> (2,452)
http://www.selleckchem.com/products/Nicotinamide(Niacinamide).html

>  <CAS Number> (2,452)
98-92-0

$$$$
Vitamin B12.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,453)
2576

>  <Formula> (2,453)
C63H88CoN14O14P

>  <MolWeight> (2,453)
1355.365181

>  <Item Name> (2,453)
Vitamin B12

>  <Catalog Number> (2,453)
S1902

>  <Synonyms> (2,453)
Cobalamin, vitamin B-12, Cyanocobalamin 

>  <Target> (2,453)
Vitamin

>  <Form> (2,453)
Free Base

>  <URL> (2,453)
http://www.selleckchem.com/products/Vitamin-B12.html

>  <CAS Number> (2,453)
68-19-9

$$$$
FLAGYL (metronidazole).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,454)
2577

>  <Formula> (2,454)
C6H9N3O3

>  <MolWeight> (2,454)
171.15396

>  <Item Name> (2,454)
Metronidazole (Flagyl)

>  <Catalog Number> (2,454)
S1907

>  <Synonyms> (2,454)
Nidagyl, Mepagyl, Anagiardil, Bayer 5360, NSC 50364, NSC69587 

>  <Target> (2,454)
DNA/RNA Synthesis

>  <Form> (2,454)
Free Base

>  <URL> (2,454)
http://www.selleckchem.com/products/Metronidazole(Flagyl).html

>  <CAS Number> (2,454)
443-48-1

$$$$
Flutamide .cdx
csChFnd80/10101813242D

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  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,455)
2578

>  <Formula> (2,455)
C11H11F3N2O3

>  <MolWeight> (2,455)
276.2118496

>  <Item Name> (2,455)
Flutamide (Eulexin)

>  <Catalog Number> (2,455)
S1908

>  <Synonyms> (2,455)
Flutamin, Drogenil 

>  <Target> (2,455)
P450

>  <Form> (2,455)
Free Base

>  <URL> (2,455)
http://www.selleckchem.com/products/Flutamide(Eulexin).html

>  <CAS Number> (2,455)
13311-84-7

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/10101813242D

 31 32  0  0  0  0  0  0  0  0999 V2000
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    4.3157    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    5.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7733    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9404    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3569    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9816    5.1330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.1940    5.8330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.7733    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (2,456)
2579

>  <Formula> (2,456)
C24H25FNNaO4

>  <MolWeight> (2,456)
433.4477732

>  <Item Name> (2,456)
Fluvastatin sodium (Lescol)

>  <Catalog Number> (2,456)
S1909

>  <Synonyms> (2,456)
Vastin

>  <Target> (2,456)
HMG-CoA Reductase

>  <Form> (2,456)
Sodium

>  <URL> (2,456)
http://www.selleckchem.com/products/Fluvastatin-Sodium(Lescol).htm

>  <CAS Number> (2,456)
93957-55-2

$$$$
GANTANOL (sulfamethoxazole).cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5367    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8610    3.1227    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 16  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,457)
2580

>  <Formula> (2,457)
C10H11N3O3S

>  <MolWeight> (2,457)
253.27764

>  <Item Name> (2,457)
Sulfamethoxazole

>  <Catalog Number> (2,457)
S1915

>  <Synonyms> (2,457)
Gantanol

>  <Target> (2,457)
Antifection

>  <Form> (2,457)
Free Base

>  <URL> (2,457)
http://www.selleckchem.com/products/Sulfamethoxazole.html

>  <CAS Number> (2,457)
723-46-6

$$$$
GANTRISIN (sulfisoxazole).cdx
csChFnd80/10101813242D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4735    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8268    0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 10  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  2  0  0  0  0
 12 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,458)
2581

>  <Formula> (2,458)
C11H13N3O3S

>  <MolWeight> (2,458)
267.30422

>  <Item Name> (2,458)
Sulfisoxazole

>  <Catalog Number> (2,458)
S1916

>  <Synonyms> (2,458)
Sulfafurazole, Gantrisin Pediatric

>  <Target> (2,458)
Antifection

>  <Form> (2,458)
Free Base

>  <URL> (2,458)
http://www.selleckchem.com/products/Sulfisoxazole.html

>  <CAS Number> (2,458)
127-69-5

$$$$

csChFnd80/10101813242D

 29 30  0  0  0  0  0  0  0  0999 V2000
    7.6370   -5.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6370   -6.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8495   -7.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6412   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0577   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4288   -9.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2164   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6908  -11.8829    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    2.7999  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2065  -12.7676    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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
 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  8  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  9  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,459)
2582

>  <Formula> (2,459)
C25H30ClN3

>  <MolWeight> (2,459)
407.9788

>  <Item Name> (2,459)
Crystal violet 

>  <Catalog Number> (2,459)
S1917

>  <Synonyms> (2,459)
Gentian violet, Hexamethyl pararosaniline chloride 

>  <Target> (2,459)
Others

>  <Form> (2,459)
quaternary-N chloride salt

>  <URL> (2,459)
http://www.selleckchem.com/products/Crystal-violet.html

>  <CAS Number> (2,459)
548-62-9

$$$$
HALDOL (haloperidol).cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    5.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5474    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    0.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    3.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4991    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1991    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5991    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2991    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5991    2.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1991    2.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6942    1.3523    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (2,460)
2583

>  <Formula> (2,460)
C21H23ClFNO2

>  <MolWeight> (2,460)
375.8642232

>  <Item Name> (2,460)
Haloperidol (Haldol)

>  <Catalog Number> (2,460)
S1920

>  <Synonyms> (2,460)
Aloperidin, Bioperidolo, Brotopon, Dozic, Duraperidol, Einalon S

>  <Target> (2,460)
Dopamine Receptor

>  <Form> (2,460)
Free Base

>  <URL> (2,460)
http://www.selleckchem.com/products/Haloperidol(Haldol).html

>  <CAS Number> (2,460)
52-86-8

$$$$
HEDULIN (phenindione).cdx
csChFnd80/10101813242D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,461)
2584

>  <Formula> (2,461)
C15H10O2

>  <MolWeight> (2,461)
222.2387

>  <Item Name> (2,461)
Phenindione (Rectadione)

>  <Catalog Number> (2,461)
S1921

>  <Synonyms> (2,461)
Dindevan, Rectadione

>  <Target> (2,461)
Vitamin

>  <Form> (2,461)
Free Base

>  <URL> (2,461)
http://www.selleckchem.com/products/Phenindione(Rectadione).html

>  <CAS Number> (2,461)
83-12-5

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/10101813242D

 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
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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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   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
  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
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 17 27  1  6  0  0  0
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 28 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,462)
2585

>  <Formula> (2,462)
C21H27FO6

>  <MolWeight> (2,462)
394.4338832

>  <Item Name> (2,462)
Triamcinolone (Aristocort)

>  <Catalog Number> (2,462)
S1933

>  <Synonyms> (2,462)
N/A

>  <Target> (2,462)
Glucocorticoid Receptor

>  <Form> (2,462)
Free Base

>  <URL> (2,462)
http://www.selleckchem.com/products/Triamcinolone(Aristocort).html

>  <CAS Number> (2,462)
124-94-7

$$$$
Azilsartan MedoxoMil.cdx
csChFnd80/10101813242D

 42 47  0  0  0  0  0  0  0  0999 V2000
   10.1373    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,463)
2586

>  <Formula> (2,463)
C30H24N4O8

>  <MolWeight> (2,463)
568.53356

>  <Item Name> (2,463)
Azilsartan Medoxomil (TAK-491)

>  <Catalog Number> (2,463)
S3057

>  <Synonyms> (2,463)
N/A

>  <Target> (2,463)
RAAS

>  <Form> (2,463)
Free Base

>  <URL> (2,463)
http://www.selleckchem.com/products/azilsartan-medoxomil-tak-491.html

>  <CAS Number> (2,463)
863031-21-4

$$$$
Medetomidine hcl.cdx
csChFnd80/10101813242D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.9215    4.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,464)
2587

>  <Formula> (2,464)
C13H17ClN2

>  <MolWeight> (2,464)
236.74048

>  <Item Name> (2,464)
Medetomidine HCl

>  <Catalog Number> (2,464)
S3060

>  <Synonyms> (2,464)
N/A

>  <Target> (2,464)
Adrenergic Receptor

>  <Form> (2,464)
HCl

>  <URL> (2,464)
http://www.selleckchem.com/products/medetomidine-hcl.html

>  <CAS Number> (2,464)
86347-15-1

$$$$
Cilostazol.cdx
csChFnd80/10101813242D

 27 30  0  0  0  0  0  0  0  0999 V2000
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Pletal

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PDE

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

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PARP 

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Free Base

>  <URL> (2,467)
http://www.selleckchem.com/products/ABT-888.html

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912444-00-9

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VEGFR, PDGFR, c-Kit

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Src, Bcr-Abl

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http://www.selleckchem.com/products/AZD0530.html

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379231-04-6

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AZD6244 (Selumetinib)

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S1008

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ARRY-142886 

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MEK

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Free Base

>  <URL> (2,470)
http://www.selleckchem.com/products/AZD6244.html

>  <CAS Number> (2,470)
606143-52-6

$$$$
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Nintedanib (BIBF 1120)

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N/A 

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VEGFR, PDGFR, FGFR

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Free Base

>  <URL> (2,471)
http://www.selleckchem.com/products/BIBF1120.html

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656247-17-5

$$$$
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Bortezomib (Velcade)

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MG-341, PS-341

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Proteasome

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Free Base

>  <URL> (2,472)
http://www.selleckchem.com/products/Bortezomib.html

>  <CAS Number> (2,472)
179324-69-7

$$$$
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N/A 

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Src

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Free Base

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

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380843-75-4

$$$$
untitled.cdx
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Cediranib (AZD2171)

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Recentin 

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VEGFR, Flt

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Free Base

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

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288383-20-0

$$$$
CI1040.cdx
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N/A 

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MEK 

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Free Base

>  <URL> (2,475)
http://www.selleckchem.com/products/CI-1040-(PD184352).html

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212631-79-3

$$$$
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Dasatinib

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Src, Bcr-Abl, c-Kit

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>  <URL> (2,476)
http://www.selleckchem.com/products/Dasatinib.html

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302962-49-8

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (2,477)
2408

>  <Formula> (2,477)
C53H84NO14P

>  <MolWeight> (2,477)
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>  <Item Name> (2,477)
Deforolimus (MK-8669) 

>  <Catalog Number> (2,477)
S1022

>  <Synonyms> (2,477)
AP23573, MK-8669

>  <Target> (2,477)
mTOR

>  <Form> (2,477)
Free Base

>  <URL> (2,477)
http://www.selleckchem.com/products/Deforolimus.html

>  <CAS Number> (2,477)
572924-54-0

$$$$
untitled.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,478)
2409

>  <Formula> (2,478)
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>  <MolWeight> (2,478)
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>  <Item Name> (2,478)
Gefitinib (ZD1839)

>  <Catalog Number> (2,478)
S1025

>  <Synonyms> (2,478)
N/A

>  <Target> (2,478)
EGFR

>  <Form> (2,478)
Free Base

>  <URL> (2,478)
http://www.selleckchem.com/products/Gefitinib.html

>  <CAS Number> (2,478)
184475-35-2

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/10101813242D

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C43H42ClFN4O10S3

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Lapatinib (GW-572016) Ditosylate

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S1028

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GW-57201

>  <Target> (2,479)
EGFR, HER2

>  <Form> (2,479)
Ditosylat

>  <URL> (2,479)
http://www.selleckchem.com/products/Lapatinib-Ditosylate.html

>  <CAS Number> (2,479)
388082-77-7

$$$$
untitled.cdx
csChFnd80/10101813242D

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C13H13N3O3

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Lenalidomide (CC-5013)

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S1029

>  <Synonyms> (2,480)
CC-5013

>  <Target> (2,480)
TNF-alpha

>  <Form> (2,480)
Free Base

>  <URL> (2,480)
http://www.selleckchem.com/products/Lenalidomide.html

>  <CAS Number> (2,480)
191732-72-6

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/10101813242D

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2412

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C22H29N5O9P2

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>  <Item Name> (2,481)
Motesanib Diphosphate (AMG-706)

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S1032

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AMG-706

>  <Target> (2,481)
VEGFR, PDGFR, c-Kit

>  <Form> (2,481)
Diphosphate

>  <URL> (2,481)
http://www.selleckchem.com/products/Motesanib-Diphosphate.html

>  <CAS Number> (2,481)
857876-30-3

$$$$
untitled.cdx
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>  <Formula> (2,482)
C28H22F3N7O

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>  <Item Name> (2,482)
Nilotinib (AMN-107)

>  <Catalog Number> (2,482)
S1033

>  <Synonyms> (2,482)
Tasigna 

>  <Target> (2,482)
Bcr-Abl

>  <Form> (2,482)
Free Base

>  <URL> (2,482)
http://www.selleckchem.com/products/Nilotinib.html

>  <CAS Number> (2,482)
641571-10-0

$$$$
untitled.cdx
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Pazopanib HCl

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GW786034

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VEGFR, PDGFR, c-Kit

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635702-64-6

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N/A

>  <Target> (2,484)
MEK 

>  <Form> (2,484)
Free Base

>  <URL> (2,484)
http://www.selleckchem.com/products/PD-0325901.html

>  <CAS Number> (2,484)
391210-10-9

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S1201 

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BNP7787, Tavocept, BioNumerik

>  <Target> (2,485)
Others

>  <Form> (2,485)
Disodium salt

>  <URL> (2,485)
http://www.selleckchem.com/products/Dimesna.html

>  <CAS Number> (2,485)
16208-51-8

$$$$
AR-42.cdx
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OSU-HDAC42

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HDAC 

>  <Form> (2,486)
Free Base

>  <URL> (2,486)
http://www.selleckchem.com/products/AR-42-HDAC-42.html

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935881-37-1

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mTOR 

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

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53123-88-9

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Sorafenib Tosylate

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VEGFR, PDGFR, Raf

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http://www.selleckchem.com/products/Sorafenib-Tosylate.html

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475207-59-1

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>  <URL> (2,490)
http://www.selleckchem.com/products/STF-62247.html

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315702-99-9

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S1047

>  <Synonyms> (2,491)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (2,491)
HDAC

>  <Form> (2,491)
Free Base

>  <URL> (2,491)
http://www.selleckchem.com/products/Vorinostat-(SAHA).html

>  <CAS Number> (2,491)
149647-78-9

$$$$
untitled.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,492)
2423

>  <Formula> (2,492)
C23H28N8OS

>  <MolWeight> (2,492)
464.58642

>  <Item Name> (2,492)
VX-680 (MK-0457, Tozasertib)

>  <Catalog Number> (2,492)
S1048

>  <Synonyms> (2,492)
N/A 

>  <Target> (2,492)
Aurora Kinase

>  <Form> (2,492)
Free Base

>  <URL> (2,492)
http://www.selleckchem.com/products/VX-680(MK-0457).html

>  <CAS Number> (2,492)
639089-54-6

$$$$
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>  <Formula> (2,493)
C14H23Cl2N3O

>  <MolWeight> (2,493)
320.25792

>  <Item Name> (2,493)
Y-27632 2HCl

>  <Catalog Number> (2,493)
S1049

>  <Synonyms> (2,493)
N/A

>  <Target> (2,493)
ROCK

>  <Form> (2,493)
Dihydrochloride

>  <URL> (2,493)
http://www.selleckchem.com/products/Y-27632.html

>  <CAS Number> (2,493)
129830-38-2

$$$$
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2425

>  <Formula> (2,494)
C19H20N4O2S2

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400.5177

>  <Item Name> (2,494)
Elesclomol (STA-4783)

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S1052

>  <Synonyms> (2,494)
STA-4783

>  <Target> (2,494)
HSP

>  <Form> (2,494)
Free Base

>  <URL> (2,494)
http://www.selleckchem.com/products/Elesclomol.html

>  <CAS Number> (2,494)
488832-69-5

$$$$
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>  <Formula> (2,495)
C21H20N4O3

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Entinostat (MS-275, SNDX-275)

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SNDX-275

>  <Target> (2,495)
HDAC 

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Free Base

>  <URL> (2,495)
http://www.selleckchem.com/products/MS-275.html

>  <CAS Number> (2,495)
209783-80-2

$$$$
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PKC 

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803712-79-0

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763113-22-0

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Dihydrochloride

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http://www.selleckchem.com/products/MK-2206.html

>  <CAS Number> (2,507)
1032350-13-2

$$$$
untitled.cdx
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C28H30ClN5O4S

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SU11274

>  <Catalog Number> (2,508)
S1080

>  <Synonyms> (2,508)
PKI-SU11274

>  <Target> (2,508)
c-Met 

>  <Form> (2,508)
Free Base

>  <URL> (2,508)
http://www.selleckchem.com/products/SU11274.html

>  <CAS Number> (2,508)
658084-23-2

$$$$
untitled.cdx
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2440

>  <Formula> (2,509)
C19H14Cl2N2O3S

>  <MolWeight> (2,509)
421.29706

>  <Item Name> (2,509)
Vismodegib (GDC-0449)

>  <Catalog Number> (2,509)
S1082

>  <Synonyms> (2,509)
N/A 

>  <Target> (2,509)
Hedgehog, P-gp

>  <Form> (2,509)
Free Base

>  <URL> (2,509)
http://www.selleckchem.com/products/GDC-0449.html

>  <CAS Number> (2,509)
879085-55-9

$$$$
Brivanib.cdx
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2441

>  <Formula> (2,510)
C19H19FN4O3

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>  <Item Name> (2,510)
Brivanib (BMS-540215)

>  <Catalog Number> (2,510)
S1084

>  <Synonyms> (2,510)
N/A 

>  <Target> (2,510)
VEGFR, FGFR

>  <Form> (2,510)
Free Base

>  <URL> (2,510)
http://www.selleckchem.com/products/Brivanib.html

>  <CAS Number> (2,510)
649735-46-6

$$$$
untitled.cdx
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>  <Mol_ID> (2,511)
2442

>  <Formula> (2,511)
C15H14N2O4S

>  <MolWeight> (2,511)
318.34766

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Belinostat (PXD101)

>  <Catalog Number> (2,511)
S1085

>  <Synonyms> (2,511)
N/A 

>  <Target> (2,511)
HDAC 

>  <Form> (2,511)
Free Base

>  <URL> (2,511)
http://www.selleckchem.com/products/Belinostat.html

>  <CAS Number> (2,511)
414864-00-9

$$$$
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Aurora Kinase

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Free Base

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http://www.selleckchem.com/products/MLN8054.html

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869363-13-3

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Vatalanib (PTK787) 2HCl

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ZK 222584 (cpg-79787) 2HCl

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VEGFR, c-Kit, Flt

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Dihydrochloride

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http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

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212141-51-0

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Free Base

>  <URL> (2,522)
http://www.selleckchem.com/products/ZM-447439.html

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331771-20-1

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BTZ043 racemate

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BTZ038, BTZ044

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Free Base

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http://www.selleckchem.com/products/BTZ043.html

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957217-65-1

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c-Met 

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>  <URL> (2,532)
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159351-69-6

$$$$
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C19H23N7O2

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N/A

>  <Target> (2,538)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (2,538)
Free Base

>  <URL> (2,538)
http://www.selleckchem.com/products/AT9283.html

>  <CAS Number> (2,538)
896466-04-9

$$$$
Malotilate.cdx
csChFnd80/10101813242D

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>  <Formula> (2,539)
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Malotilate

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N/A

>  <Target> (2,539)
Others

>  <Form> (2,539)
Free Base

>  <URL> (2,539)
http://www.selleckchem.com/products/Malotilate.html

>  <CAS Number> (2,539)
59937-28-9 

$$$$
untitled.cdx
csChFnd80/10101813242D

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>  <Formula> (2,540)
C19H18F3N3O6

>  <MolWeight> (2,540)
441.3579296

>  <Item Name> (2,540)
Andarine (GTX-007)

>  <Catalog Number> (2,540)
S1140

>  <Synonyms> (2,540)
GTX-007

>  <Target> (2,540)
Androgen Receptor 

>  <Form> (2,540)
Free Base

>  <URL> (2,540)
http://www.selleckchem.com/products/Andarine.html

>  <CAS Number> (2,540)
401900-40-1

$$$$
untitled.cdx
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>  <Formula> (2,541)
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17-AAG (Tanespimycin)

>  <Catalog Number> (2,541)
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>  <Synonyms> (2,541)
N/A 

>  <Target> (2,541)
HSP

>  <Form> (2,541)
Free Base

>  <URL> (2,541)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

>  <CAS Number> (2,541)
75747-14-7

$$$$

csChFnd80/10101813242D

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>  <Formula> (2,542)
C22H24FN5O4

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>  <Item Name> (2,542)
Brivanib alaninate (BMS-582664)

>  <Catalog Number> (2,542)
S1138 

>  <Synonyms> (2,542)
N/A 

>  <Target> (2,542)
VEGFR, FGFR

>  <Form> (2,542)
Alaninate

>  <URL> (2,542)
http://www.selleckchem.com/products/Brivanib-alaninate.html

>  <CAS Number> (2,542)
649735-63-7

$$$$
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17-DMAG HCl (Alvespimycin)

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NSC 707545 

>  <Target> (2,543)
HSP

>  <Form> (2,543)
Hydrochloride

>  <URL> (2,543)
http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

>  <CAS Number> (2,543)
467214-21-7

$$$$
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JAK, EGFR

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>  <URL> (2,544)
http://www.selleckchem.com/products/AG-490.html

>  <CAS Number> (2,544)
133550-30-8 

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345627-80-7

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722544-51-6

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33069-62-4

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C19H26N6O

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>  <Item Name> (2,550)
Roscovitine (Seliciclib, CYC202) 

>  <Catalog Number> (2,550)
S1153

>  <Synonyms> (2,550)
N/A 

>  <Target> (2,550)
CDK 

>  <Form> (2,550)
Free Base

>  <URL> (2,550)
http://www.selleckchem.com/products/Roscovitine.html

>  <CAS Number> (2,550)
186692-46-6 

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S31-201.cdx
csChFnd80/10101813242D

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>  <Formula> (2,551)
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>  <MolWeight> (2,551)
365.3578

>  <Item Name> (2,551)
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S1155

>  <Synonyms> (2,551)
N/A 

>  <Target> (2,551)
STAT

>  <Form> (2,551)
Free Base

>  <URL> (2,551)
http://www.selleckchem.com/products/S31-201.html

>  <CAS Number> (2,551)
501919-59-1

$$$$
Capecitabine.cdx
csChFnd80/10101813242D

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>  <Formula> (2,552)
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>  <Item Name> (2,552)
Capecitabine (Xeloda)

>  <Catalog Number> (2,552)
S1156

>  <Synonyms> (2,552)
Captabin 

>  <Target> (2,552)
DNA/RNA Synthesis

>  <Form> (2,552)
Free Base

>  <URL> (2,552)
http://www.selleckchem.com/products/Capecitabine(Xeloda).html

>  <CAS Number> (2,552)
154361-50-9

$$$$
abt-751.cdx
csChFnd80/10101813242D

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>  <Formula> (2,553)
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>  <MolWeight> (2,553)
371.41028

>  <Item Name> (2,553)
ABT-751 (E7010)

>  <Catalog Number> (2,553)
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>  <Synonyms> (2,553)
N/A

>  <Target> (2,553)
Microtubule Associated

>  <Form> (2,553)
Free Base

>  <URL> (2,553)
http://www.selleckchem.com/products/ABT-751.html

>  <CAS Number> (2,553)
141430-65-1

$$$$
CP-724,714.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,567)
2498

>  <Formula> (2,567)
C35H46FN5O9S

>  <MolWeight> (2,567)
731.8312432

>  <Item Name> (2,567)
Danoprevir (ITMN-191)

>  <Catalog Number> (2,567)
S1183

>  <Synonyms> (2,567)
RG7227, ITMN-191, RO5190591

>  <Target> (2,567)
Proteasome, HCV Protease

>  <Form> (2,567)
Free Base

>  <URL> (2,567)
http://www.selleckchem.com/products/Danoprevir.html

>  <CAS Number> (2,567)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

$$$$
Ritonavir.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,568)
2499

>  <Formula> (2,568)
C37H48N6O5S2

>  <MolWeight> (2,568)
720.94422

>  <Item Name> (2,568)
Ritonavir

>  <Catalog Number> (2,568)
S1185

>  <Synonyms> (2,568)
Norvir, Norvir Softgel

>  <Target> (2,568)
HIV Protease

>  <Form> (2,568)
Free Base

>  <URL> (2,568)
http://www.selleckchem.com/products/Ritonavir.html

>  <CAS Number> (2,568)
155213-67-5

$$$$
Ostarine(MK-2866).cdx
csChFnd80/10101813242D

 28 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,569)
2500

>  <Formula> (2,569)
C19H14F3N3O3

>  <MolWeight> (2,569)
389.3279696

>  <Item Name> (2,569)
MK-2866 (GTx-024)

>  <Catalog Number> (2,569)
S1174

>  <Synonyms> (2,569)
Enobosarm, ostarine

>  <Target> (2,569)
Androgen Receptor

>  <Form> (2,569)
Free Base

>  <URL> (2,569)
http://www.selleckchem.com/products/Ostarine.html

>  <CAS Number> (2,569)
841205-47-8

$$$$
BIBR1532.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,570)
2501

>  <Formula> (2,570)
C21H17NO3

>  <MolWeight> (2,570)
331.36458

>  <Item Name> (2,570)
BIBR1532

>  <Catalog Number> (2,570)
S1186

>  <Synonyms> (2,570)
N/A

>  <Target> (2,570)
Telomerase

>  <Form> (2,570)
Free Base

>  <URL> (2,570)
http://www.selleckchem.com/products/BIBR1532.html

>  <CAS Number> (2,570)
321674-73-1

$$$$
Anastrozole.cdx
csChFnd80/10101813242D

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>  <Item Name> (2,571)
Anastrozole

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S1188

>  <Synonyms> (2,571)
Arimidex 

>  <Target> (2,571)
Aromatase

>  <Form> (2,571)
Free Base

>  <URL> (2,571)
http://www.selleckchem.com/products/Anastrozole.html

>  <CAS Number> (2,571)
120511-73-1

$$$$
Aprepitant.cdx
csChFnd80/10101813242D

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Aprepitant (MK-0869)

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S1189

>  <Synonyms> (2,572)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (2,572)
Substance P

>  <Form> (2,572)
Free Base

>  <URL> (2,572)
http://www.selleckchem.com/products/Aprepitant.html

>  <CAS Number> (2,572)
170729-80-3

$$$$
bicalutamide.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,573)
2504

>  <Formula> (2,573)
C18H14F4N2O4S

>  <MolWeight> (2,573)
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>  <Item Name> (2,573)
Bicalutamide (Casodex)

>  <Catalog Number> (2,573)
S1190

>  <Synonyms> (2,573)
N/A 

>  <Target> (2,573)
Androgen Receptor, P450

>  <Form> (2,573)
Free Base

>  <URL> (2,573)
http://www.selleckchem.com/products/Bicalutamide(Casodex).html

>  <CAS Number> (2,573)
90357-06-5

$$$$
Fulvestrant.cdx
csChFnd80/10101813242D

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2505

>  <Formula> (2,574)
C32H47F5O3S

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606.770796

>  <Item Name> (2,574)
Fulvestrant (Faslodex)

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S1191

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N/A 

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Free Base

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

>  <CAS Number> (2,574)
129453-61-8

$$$$
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N/A 

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DNA/RNA Synthesis

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Free Base

>  <URL> (2,575)
http://www.selleckchem.com/products/Raltitrexed.html

>  <CAS Number> (2,575)
112887-68-0

$$$$
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csChFnd80/10101813242D

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>  <Target> (2,576)
HDAC, EGFR, HER2

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Free Base

>  <URL> (2,576)
http://www.selleckchem.com/products/CUDC-101.html

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1012054-59-9

$$$$
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csChFnd80/10101813242D

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Aromasin

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Aromatase

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Free Base

>  <URL> (2,577)
http://www.selleckchem.com/products/Exemestane.html

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107868-30-4

$$$$
Cladribine.cdx
csChFnd80/10101813242D

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Leustatin

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DNA/RNA Synthesis

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4291-63-8

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
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M  END
>  <Mol_ID> (2,579)
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>  <Formula> (2,579)
C8H12N4O4

>  <MolWeight> (2,579)
228.20528

>  <Item Name> (2,579)
Decitabine

>  <Catalog Number> (2,579)
S1200

>  <Synonyms> (2,579)
Dacogen

>  <Target> (2,579)
DNA/RNA Synthesis

>  <Form> (2,579)
Free Base

>  <URL> (2,579)
http://www.selleckchem.com/products/Decitabine.html

>  <CAS Number> (2,579)
2353-33-5

$$$$
Dutasteride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,580)
2511

>  <Formula> (2,580)
C27H30F6N2O2

>  <MolWeight> (2,580)
528.5297192

>  <Item Name> (2,580)
Dutasteride

>  <Catalog Number> (2,580)
S1202

>  <Synonyms> (2,580)
Avodart

>  <Target> (2,580)
5-alpha Reductase

>  <Form> (2,580)
Free Base

>  <URL> (2,580)
http://www.selleckchem.com/products/Dutasteride.html

>  <CAS Number> (2,580)
164656-23-9

$$$$
AV-951.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,581)
2512

>  <Formula> (2,581)
C22H19ClN4O5

>  <MolWeight> (2,581)
454.86306

>  <Item Name> (2,581)
Tivozanib (AV-951)

>  <Catalog Number> (2,581)
S1207

>  <Synonyms> (2,581)
N/A 

>  <Target> (2,581)
VEGFR, c-Kit, PDGFR

>  <Form> (2,581)
Free Base

>  <URL> (2,581)
http://www.selleckchem.com/products/AV-951.html

>  <CAS Number> (2,581)
475108-18-0

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,582)
2513

>  <Formula> (2,582)
C27H30ClNO11

>  <MolWeight> (2,582)
579.9802

>  <Item Name> (2,582)
Doxorubicin (Adriamycin) HCl

>  <Catalog Number> (2,582)
S1208

>  <Synonyms> (2,582)
N/A 

>  <Target> (2,582)
Topoisomerase

>  <Form> (2,582)
Hydrochloride

>  <URL> (2,582)
http://www.selleckchem.com/products/Adriamycin.html

>  <CAS Number> (2,582)
25316-40-9

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,583)
2514

>  <Formula> (2,583)
C4H3FN2O2

>  <MolWeight> (2,583)
130.0772232

>  <Item Name> (2,583)
Adrucil (Fluorouracil)

>  <Catalog Number> (2,583)
S1209

>  <Synonyms> (2,583)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (2,583)
DNA/RNA Synthesis

>  <Form> (2,583)
Free Base

>  <URL> (2,583)
http://www.selleckchem.com/products/Adrucil(Fluorouracil).html

>  <CAS Number> (2,583)
51-21-8

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,584)
2515

>  <Formula> (2,584)
C20H22N8O5

>  <MolWeight> (2,584)
454.43928

>  <Item Name> (2,584)
Abitrexate (Methotrexate)

>  <Catalog Number> (2,584)
S1210

>  <Synonyms> (2,584)
Methotrexate, Rheumatrex, Trexall

>  <Target> (2,584)
DHFR

>  <Form> (2,584)
Free Base

>  <URL> (2,584)
http://www.selleckchem.com/products/Abitrexate.html

>  <CAS Number> (2,584)
59-05-2

$$$$
Bendamustine Hydrochloride.cdx
csChFnd80/10101813242D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  9 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,585)
2516

>  <Formula> (2,585)
C16H22Cl3N3O2

>  <MolWeight> (2,585)
394.72378

>  <Item Name> (2,585)
Bendamustine HCL 

>  <Catalog Number> (2,585)
S1212

>  <Synonyms> (2,585)
Ribomustin, Treanda, SDX-105

>  <Target> (2,585)
DNA/RNA Synthesis

>  <Form> (2,585)
Hydrochloride

>  <URL> (2,585)
http://www.selleckchem.com/products/Bendamustine-Hydrochloride.html

>  <CAS Number> (2,585)
3543-75-7

$$$$
Arranon (Nelarabine).cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  6  0  0  0
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 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,586)
2517

>  <Formula> (2,586)
C11H15N5O5

>  <MolWeight> (2,586)
297.2673

>  <Item Name> (2,586)
Nelarabine (Arranon)

>  <Catalog Number> (2,586)
S1213

>  <Synonyms> (2,586)
Arranon

>  <Target> (2,586)
DNA/RNA Synthesis 

>  <Form> (2,586)
Free Base

>  <URL> (2,586)
http://www.selleckchem.com/products/Arranon.html

>  <CAS Number> (2,586)
121032-29-9

$$$$
Clofarabine.cdx
csChFnd80/10101813242D

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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,587)
2518

>  <Formula> (2,587)
C10H11ClFN5O3

>  <MolWeight> (2,587)
303.6774432

>  <Item Name> (2,587)
Clofarabine

>  <Catalog Number> (2,587)
S1218

>  <Synonyms> (2,587)
Clolar, Evoltra

>  <Target> (2,587)
DNA/RNA Synthesis

>  <Form> (2,587)
Free Base

>  <URL> (2,587)
http://www.selleckchem.com/products/Clofarabine.html

>  <CAS Number> (2,587)
123318-82-1

$$$$
OSI-930.cdx
csChFnd80/10101813242D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,588)
2519

>  <Formula> (2,588)
C22H16F3N3O2S

>  <MolWeight> (2,588)
443.4415496

>  <Item Name> (2,588)
OSI-930

>  <Catalog Number> (2,588)
S1220

>  <Synonyms> (2,588)
N/A

>  <Target> (2,588)
c-Kit, VEGFR

>  <Form> (2,588)
Free Base

>  <URL> (2,588)
http://www.selleckchem.com/products/OSI-930.html

>  <CAS Number> (2,588)
728033-96-3

$$$$
Epothilone A.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,589)
2589

>  <Formula> (2,589)
C26H39NO6S

>  <MolWeight> (2,589)
493.65596

>  <Item Name> (2,589)
Epothilone A

>  <Catalog Number> (2,589)
S1297

>  <Synonyms> (2,589)
N/A

>  <Target> (2,589)
Microtubule Associated

>  <Form> (2,589)
Free Base

>  <URL> (2,589)
http://www.selleckchem.com/products/Epothilone-A.html

>  <CAS Number> (2,589)
152044-53-6

$$$$
Floxuridine.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,590)
2590

>  <Formula> (2,590)
C9H11FN2O5

>  <MolWeight> (2,590)
246.1924432

>  <Item Name> (2,590)
Floxuridine

>  <Catalog Number> (2,590)
S1299

>  <Synonyms> (2,590)
Fludara, Fluorodeoxyuridine, FUDR, FdUrd, Floxuridin, FAMP 

>  <Target> (2,590)
DNA/RNA Synthesis

>  <Form> (2,590)
Free Base

>  <URL> (2,590)
http://www.selleckchem.com/products/Floxuridine.html

>  <CAS Number> (2,590)
50-91-9

$$$$
Ftorafur.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.9430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,591)
2591

>  <Formula> (2,591)
C8H9FN2O3

>  <MolWeight> (2,591)
200.1670632

>  <Item Name> (2,591)
Tegafur (FT-207, NSC 148958)

>  <Catalog Number> (2,591)
S1300

>  <Synonyms> (2,591)
N/A

>  <Target> (2,591)
DNA/RNA Synthesis

>  <Form> (2,591)
Free Base

>  <URL> (2,591)
http://www.selleckchem.com/products/Ftorafur.html

>  <CAS Number> (2,591)
17902-23-7

$$$$
1.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,592)
2592

>  <Formula> (2,592)
C18H16F2N4O2S

>  <MolWeight> (2,592)
390.4070464

>  <Item Name> (2,592)
LY2886721

>  <Catalog Number> (2,592)
S2156

>  <Synonyms> (2,592)
N/A 

>  <Target> (2,592)
BACE

>  <Form> (2,592)
Free Base

>  <URL> (2,592)
http://www.selleckchem.com/products/LY-2886721.html

>  <CAS Number> (2,592)
1262036-50-9

$$$$
Ifosfamide.cdx
csChFnd80/10101813242D

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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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>  <Mol_ID> (2,593)
2593

>  <Formula> (2,593)
C7H15Cl2N2O2P

>  <MolWeight> (2,593)
261.085961

>  <Item Name> (2,593)
Ifosfamide

>  <Catalog Number> (2,593)
S1302

>  <Synonyms> (2,593)
Mitoxana, Ifex

>  <Target> (2,593)
DNA/RNA Synthesis

>  <Form> (2,593)
Free Base

>  <URL> (2,593)
http://www.selleckchem.com/products/Ifosfamide.html

>  <CAS Number> (2,593)
3778-73-2

$$$$
Megestrol Acetate.cdx
csChFnd80/10101813242D

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Megestrol Acetate

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S1304

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Megace, Megace ES

>  <Target> (2,594)
Androgen Receptor

>  <Form> (2,594)
Free Base

>  <URL> (2,594)
http://www.selleckchem.com/products/Megestrol-Acetate.html

>  <CAS Number> (2,594)
595-33-5

$$$$
Mercaptopurine.cdx
csChFnd80/10101813242D

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Mercaptopurine (6-MP)

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>  <Target> (2,595)
DNA/RNA Synthesis 

>  <Form> (2,595)
Free Base

>  <URL> (2,595)
http://www.selleckchem.com/products/Mercaptopurine.html

>  <CAS Number> (2,595)
50-44-2

$$$$
Streptozocin.cdx
csChFnd80/10101813242D

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Streptozotocin (STZ)

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S1312

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NSC-85998

>  <Target> (2,596)
DNA alkylator

>  <Form> (2,596)
Free Base

>  <URL> (2,596)
http://www.selleckchem.com/products/Streptozotocin.html

>  <CAS Number> (2,596)
18883-66-4

$$$$
ki16425.cdx
csChFnd80/10101813242D

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2597

>  <Formula> (2,597)
C23H23ClN2O5S

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Ki16425

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S1315

>  <Synonyms> (2,597)
N/A

>  <Target> (2,597)
LPA Receptor

>  <Form> (2,597)
Free Base

>  <URL> (2,597)
http://www.selleckchem.com/products/Ki16425.html

>  <CAS Number> (2,597)
355025-24-0 

$$$$
Alizarin.cdx
csChFnd80/10101813242D

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2598

>  <Formula> (2,598)
C14H8O4

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Alizarin

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S2526

>  <Synonyms> (2,598)
Anthraquinonic

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P450 (e.g. CYP17)

>  <Form> (2,598)
Free Base

>  <URL> (2,598)
http://www.selleckchem.com/products/Alizarin.html

>  <CAS Number> (2,598)
72-48-0

$$$$
Costunolide.cdx
csChFnd80/10101813242D

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Costunolide

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N/A

>  <Target> (2,599)
Telomerase

>  <Form> (2,599)
Free Base

>  <URL> (2,599)
http://www.selleckchem.com/products/Costunolide.html

>  <CAS Number> (2,599)
553-21-9

$$$$
Dexamethasone.cdx
csChFnd80/10101813242D

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Dexamethasone

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S1322

>  <Synonyms> (2,600)
Decadron

>  <Target> (2,600)
IL Receptor

>  <Form> (2,600)
Free Base

>  <URL> (2,600)
http://www.selleckchem.com/products/Dexamethasone.html

>  <CAS Number> (2,600)
50-02-2

$$$$
Doxazosin mesylate.cdx
csChFnd80/10101813242D

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2601

>  <Formula> (2,601)
C24H29N5O8S

>  <MolWeight> (2,601)
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>  <Item Name> (2,601)
Doxazosin mesylate

>  <Catalog Number> (2,601)
S1324

>  <Synonyms> (2,601)
Cardura, Carduran 

>  <Target> (2,601)
Adrenergic Receptor

>  <Form> (2,601)
Mesylate

>  <URL> (2,601)
http://www.selleckchem.com/products/Doxazosin-mesylate.html

>  <CAS Number> (2,601)
77883-43-3

$$$$
Etodolac.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,602)
2602

>  <Formula> (2,602)
C17H21NO3

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287.35354

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Etodolac (Lodine)

>  <Catalog Number> (2,602)
S1328

>  <Synonyms> (2,602)
Lodine, Lodine XL

>  <Target> (2,602)
COX
COX

>  <Form> (2,602)
Free Base

>  <URL> (2,602)
http://www.selleckchem.com/products/Etodolac.html

>  <CAS Number> (2,602)
41340-25-4

$$$$
Etomidate.cdx
csChFnd80/10101813242D

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2603

>  <Formula> (2,603)
C14H16N2O2

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>  <Item Name> (2,603)
Etomidate

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S1329

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Amidate

>  <Target> (2,603)
GABA Receptor

>  <Form> (2,603)
Free Base

>  <URL> (2,603)
http://www.selleckchem.com/products/Etomidate.html

>  <CAS Number> (2,603)
33125-97-2

$$$$
Fluconazole.cdx
csChFnd80/10101813242D

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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (2,604)
2604

>  <Formula> (2,604)
C13H12F2N6O

>  <MolWeight> (2,604)
306.2707864

>  <Item Name> (2,604)
Fluconazole

>  <Catalog Number> (2,604)
S1331

>  <Synonyms> (2,604)
UK 49858

>  <Target> (2,604)
P450 (e.g. CYP17)

>  <Form> (2,604)
Free Base

>  <URL> (2,604)
http://www.selleckchem.com/products/Fluconazole.html

>  <CAS Number> (2,604)
86386-73-4

$$$$
Flumazenil.cdx
csChFnd80/10101813242D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  5  1  0  0  0  0
  2 12  1  0  0  0  0
 10 13  2  0  0  0  0
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 15 11  1  0  0  0  0
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M  END
>  <Mol_ID> (2,605)
2605

>  <Formula> (2,605)
C15H14FN3O3

>  <MolWeight> (2,605)
303.2883632

>  <Item Name> (2,605)
Flumazenil

>  <Catalog Number> (2,605)
S1332

>  <Synonyms> (2,605)
Flumazepil, Ro 15-1788, Anexate, Lanexat, Mazicon, Roma

>  <Target> (2,605)
GABA Receptor

>  <Form> (2,605)
Free Base

>  <URL> (2,605)
http://www.selleckchem.com/products/Flumazenil.html

>  <CAS Number> (2,605)
78755-81-4

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/10101813242D

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    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
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 10 15  2  0  0  0  0
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 19 10  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,606)
2606

>  <Formula> (2,606)
C17H19ClF3NO

>  <MolWeight> (2,606)
345.7870696

>  <Item Name> (2,606)
Fluoxetine  HCl

>  <Catalog Number> (2,606)
S1333

>  <Synonyms> (2,606)
Prozac, Sarafem

>  <Target> (2,606)
5-HT Receptor

>  <Form> (2,606)
Hydrochloride

>  <URL> (2,606)
http://www.selleckchem.com/products/Fluoxetine-hydrochloride.html

>  <CAS Number> (2,606)
56296-78-7

$$$$
Flupirtine maleate.cdx
csChFnd80/10101813242D

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,607)
2607

>  <Formula> (2,607)
C19H21FN4O6

>  <MolWeight> (2,607)
420.3916432

>  <Item Name> (2,607)
Flupirtine maleate

>  <Catalog Number> (2,607)
S1334

>  <Synonyms> (2,607)
Katadolon

>  <Target> (2,607)
Antimetabolites

>  <Form> (2,607)
Maleate

>  <URL> (2,607)
http://www.selleckchem.com/products/Flupirtine-maleate.html

>  <CAS Number> (2,607)
75507-68-5

$$$$
Gatifloxacin.cdx
csChFnd80/10101813242D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.8455    3.4951    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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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 12  2  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 17 15  1  0  0  0  0
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 26 11  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,608)
2608

>  <Formula> (2,608)
C19H22FN3O4

>  <MolWeight> (2,608)
375.3940832

>  <Item Name> (2,608)
Gatifloxacin

>  <Catalog Number> (2,608)
S1340

>  <Synonyms> (2,608)
AM-1155, CG5501, BMS-206584

>  <Target> (2,608)
Topoisomerase

>  <Form> (2,608)
Free Base

>  <URL> (2,608)
http://www.selleckchem.com/products/Gatifloxacin.html

>  <CAS Number> (2,608)
112811-59-3

$$$$
Genistein.cdx
csChFnd80/10101813242D

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Topoisomerase
EGFR

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446-72-0

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PAFR

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http://www.selleckchem.com/products/Ginkgolide-B.html

>  <CAS Number> (2,610)
15291-77-7

$$$$
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DPP-4

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

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93479-97-1

$$$$
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>  <URL> (2,612)
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677297-51-7

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C16H14F3N3O2S

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Lansoprazole

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S1354

>  <Synonyms> (2,613)
Prevacid, Prevacid NapraPAC, Prevacid SoluTab

>  <Target> (2,613)
Proton Pump

>  <Form> (2,613)
Free Base

>  <URL> (2,613)
http://www.selleckchem.com/products/Lansoprazole.html

>  <CAS Number> (2,613)
103577-45-3

$$$$
Levetiracetam.cdx
csChFnd80/10101813242D

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C8H14N2O2

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Levetiracetam

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S1356

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UCB-L059, SIB-S1

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Calcium Channel

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Free Base

>  <URL> (2,614)
http://www.selleckchem.com/products/Levetiracetam.html

>  <CAS Number> (2,614)
102767-28-2

$$$$
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csChFnd80/10101813242D

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>  <Formula> (2,615)
C22H23ClN2O2

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382.88322

>  <Item Name> (2,615)
Loratadine

>  <Catalog Number> (2,615)
S1358

>  <Synonyms> (2,615)
Alavert, Claritin

>  <Target> (2,615)
Histamine Receptor

>  <Form> (2,615)
Free Base

>  <URL> (2,615)
http://www.selleckchem.com/products/Loratadine.html

>  <CAS Number> (2,615)
79794-75-5

$$$$
mgcd265.cdx
csChFnd80/10101813242D

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C26H20FN5O2S2

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N/A

>  <Target> (2,616)
c-Met, VEGFR, Tie-2 

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Free Base

>  <URL> (2,616)
http://www.selleckchem.com/products/MGCD-265.html

>  <CAS Number> (2,616)
875337-44-3

$$$$
ON-01910.cdx
csChFnd80/10101813242D

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ON-01910

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PLK

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Sodium Salt

>  <URL> (2,617)
http://www.selleckchem.com/products/ON-01910.html

>  <CAS Number> (2,617)
1225497-78-8

$$$$
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C21H26O3

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Acitretin

>  <Catalog Number> (2,622)
S1368

>  <Synonyms> (2,622)
Etretin, RO 10-1670

>  <Target> (2,622)
Retinoid Receptor

>  <Form> (2,622)
Free Base

>  <URL> (2,622)
http://www.selleckchem.com/products/Acitretin.html

>  <CAS Number> (2,622)
55079-83-9

$$$$
Gestodene.cdx
csChFnd80/10101813242D

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2623

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C21H26O2

>  <MolWeight> (2,623)
310.42994

>  <Item Name> (2,623)
Gestodene

>  <Catalog Number> (2,623)
S1376

>  <Synonyms> (2,623)
N/A

>  <Target> (2,623)
Estrogen/progestogen Receptor

>  <Form> (2,623)
Free Base

>  <URL> (2,623)
http://www.selleckchem.com/products/Gestodene.html

>  <CAS Number> (2,623)
60282-87-3

$$$$
Drospirenone.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,624)
2624

>  <Formula> (2,624)
C24H30O3

>  <MolWeight> (2,624)
366.4932

>  <Item Name> (2,624)
Drospirenone

>  <Catalog Number> (2,624)
S1377

>  <Synonyms> (2,624)
Angeliq

>  <Target> (2,624)
Estrogen/progestogen Receptor

>  <Form> (2,624)
Free Base

>  <URL> (2,624)
http://www.selleckchem.com/products/Drospirenone.html

>  <CAS Number> (2,624)
67392-87-4

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/10101813242D

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2625

>  <Formula> (2,625)
C37H48N4O5

>  <MolWeight> (2,625)
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>  <Item Name> (2,625)
Lopinavir (ABT-378)

>  <Catalog Number> (2,625)
S1380

>  <Synonyms> (2,625)
ABT-378

>  <Target> (2,625)
HIV Protease

>  <Form> (2,625)
Free Base

>  <URL> (2,625)
http://www.selleckchem.com/products/Lopinavir.html

>  <CAS Number> (2,625)
192725-17-0

$$$$
Meropenem.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,626)
2626

>  <Formula> (2,626)
C17H25N3O5S

>  <MolWeight> (2,626)
383.4625

>  <Item Name> (2,626)
Meropenem

>  <Catalog Number> (2,626)
S1381

>  <Synonyms> (2,626)
SM 7338

>  <Target> (2,626)
Antifection

>  <Form> (2,626)
Free Base

>  <URL> (2,626)
http://www.selleckchem.com/products/Meropenem.html

>  <CAS Number> (2,626)
96036-03-2

$$$$
Mianserin hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,627)
2627

>  <Formula> (2,627)
C18H21ClN2

>  <MolWeight> (2,627)
300.82574

>  <Item Name> (2,627)
Mianserin HCl

>  <Catalog Number> (2,627)
S1382

>  <Synonyms> (2,627)
ORG GB-94 HCl

>  <Target> (2,627)
Histamine Receptor(HT receptor)

>  <Form> (2,627)
Hydrochloride

>  <URL> (2,627)
http://www.selleckchem.com/products/Mianserin-hydrochloride.html

>  <CAS Number> (2,627)
21535-47-7

$$$$
Mosapride citrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,628)
2628

>  <Formula> (2,628)
C27H33ClFN3O10

>  <MolWeight> (2,628)
614.0164232

>  <Item Name> (2,628)
Mosapride citrate

>  <Catalog Number> (2,628)
S1385

>  <Synonyms> (2,628)
TAK-370, AS-4370, Gasmot

>  <Target> (2,628)
5-HT Receptor

>  <Form> (2,628)
Citrate

>  <URL> (2,628)
http://www.selleckchem.com/products/Mosapride-citrate.html

>  <CAS Number> (2,628)
112885-42-4

$$$$
Nafamostat mesylate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,629)
2629

>  <Formula> (2,629)
C21H25N5O8S2

>  <MolWeight> (2,629)
539.5819

>  <Item Name> (2,629)
Nafamostat mesylate

>  <Catalog Number> (2,629)
S1386

>  <Synonyms> (2,629)
Futhan, FUT-175

>  <Target> (2,629)
Proteasome

>  <Form> (2,629)
Dimesylate

>  <URL> (2,629)
http://www.selleckchem.com/products/Nafamostat-mesylate.html

>  <CAS Number> (2,629)
82956-11-4

$$$$
Naftopidil.cdx
csChFnd80/10101813242D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,630)
2630

>  <Formula> (2,630)
C24H30Cl2N2O3

>  <MolWeight> (2,630)
465.4126

>  <Item Name> (2,630)
Naftopidil Dihydrochloride

>  <Catalog Number> (2,630)
S1387

>  <Synonyms> (2,630)
Flivas, KT-611, Avishot 

>  <Target> (2,630)
Adrenergic Receptor

>  <Form> (2,630)
Dihydrochloride

>  <URL> (2,630)
http://www.selleckchem.com/products/Naftopidil-Dihydrochloride.html

>  <CAS Number> (2,630)
57149-08-3

$$$$
Omeprazole.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,631)
2631

>  <Formula> (2,631)
C17H19N3O3S

>  <MolWeight> (2,631)
345.41606

>  <Item Name> (2,631)
Omeprazole (Prilosec)

>  <Catalog Number> (2,631)
S1389

>  <Synonyms> (2,631)
Losec, Omesec, Prilosec, Zegerid

>  <Target> (2,631)
Proton Pump, ATPase

>  <Form> (2,631)
Free Base

>  <URL> (2,631)
http://www.selleckchem.com/products/Omeprazole.html

>  <CAS Number> (2,631)
73590-58-6

$$$$
Pelitinib.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,632)
2632

>  <Formula> (2,632)
C24H23ClFN5O2

>  <MolWeight> (2,632)
467.9231232

>  <Item Name> (2,632)
Pelitinib (EKB-569)

>  <Catalog Number> (2,632)
S1392

>  <Synonyms> (2,632)
WAY-EKB 569

>  <Target> (2,632)
EGFR

>  <Form> (2,632)
Free Base

>  <URL> (2,632)
http://www.selleckchem.com/products/Pelitinib.html

>  <CAS Number> (2,632)
257933-82-7

$$$$
Pizotifen malate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,633)
2633

>  <Formula> (2,633)
C23H27NO5S

>  <MolWeight> (2,633)
429.52918

>  <Item Name> (2,633)
Pizotifen malate

>  <Catalog Number> (2,633)
S1394

>  <Synonyms> (2,633)
BC-105

>  <Target> (2,633)
5-HT Receptor

>  <Form> (2,633)
Malate

>  <URL> (2,633)
http://www.selleckchem.com/products/Pizotifen-malate.html

>  <CAS Number> (2,633)
5189-11-7

$$$$
resveratrol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,634)
2634

>  <Formula> (2,634)
C14H12O3

>  <MolWeight> (2,634)
228.24328

>  <Item Name> (2,634)
Resveratrol

>  <Catalog Number> (2,634)
S1396

>  <Synonyms> (2,634)
N/A

>  <Target> (2,634)
Sirtuin

>  <Form> (2,634)
Free Base

>  <URL> (2,634)
http://www.selleckchem.com/products/Resveratrol.html

>  <CAS Number> (2,634)
501-36-0

$$$$
Rocuronium bromide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,635)
2635

>  <Formula> (2,635)
C32H53BrN2O4

>  <MolWeight> (2,635)
609.67822

>  <Item Name> (2,635)
Rocuronium bromide

>  <Catalog Number> (2,635)
S1397

>  <Synonyms> (2,635)
Zemuron, Esmeron

>  <Target> (2,635)
AChR

>  <Form> (2,635)
Bromide

>  <URL> (2,635)
http://www.selleckchem.com/products/Rocuronium-bromide.html

>  <CAS Number> (2,635)
119302-91-9

$$$$

csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,636)
2636

>  <Formula> (2,636)
C23H34N5O14P

>  <MolWeight> (2,636)
635.514921

>  <Item Name> (2,636)
Tenofovir Disoproxil Fumarate

>  <Catalog Number> (2,636)
S1400

>  <Synonyms> (2,636)
Viread

>  <Target> (2,636)
Reverse Transcriptase

>  <Form> (2,636)
Fumarate

>  <URL> (2,636)
http://www.selleckchem.com/products/Tenofovir-Disoproxil-Fumarate.html

>  <CAS Number> (2,636)
202138-50-9

$$$$
Tenofovir(PMPA).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,637)
2637

>  <Formula> (2,637)
C9H14N5O4P

>  <MolWeight> (2,637)
287.212321

>  <Item Name> (2,637)
Tenofovir (Viread)

>  <Catalog Number> (2,637)
S1401

>  <Synonyms> (2,637)
Viread

>  <Target> (2,637)
Reverse Transcriptase

>  <Form> (2,637)
Free Base

>  <URL> (2,637)
http://www.selleckchem.com/products/Tenofovir.html

>  <CAS Number> (2,637)
147127-20-6

$$$$
S1130.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,638)
2638

>  <Formula> (2,638)
C20H19BrN4O3

>  <MolWeight> (2,638)
443.29386

>  <Item Name> (2,638)
YM155 (Sepantronium Bromide)

>  <Catalog Number> (2,638)
S1130

>  <Synonyms> (2,638)
N/A

>  <Target> (2,638)
Survivin

>  <Form> (2,638)
Bromide

>  <URL> (2,638)
http://www.selleckchem.com/products/YM155.html

>  <CAS Number> (2,638)
781661-94-7

$$$$
Tigecycline.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,639)
2639

>  <Formula> (2,639)
C29H39N5O8

>  <MolWeight> (2,639)
585.64866

>  <Item Name> (2,639)
Tigecycline

>  <Catalog Number> (2,639)
S1403

>  <Synonyms> (2,639)
Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

>  <Target> (2,639)
Antifection

>  <Form> (2,639)
Free Base

>  <URL> (2,639)
http://www.selleckchem.com/products/Tigecycline.html

>  <CAS Number> (2,639)
220620-09-7

$$$$
Trilostane.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,640)
2640

>  <Formula> (2,640)
C20H27NO3

>  <MolWeight> (2,640)
329.43328

>  <Item Name> (2,640)
Trilostane

>  <Catalog Number> (2,640)
S1404

>  <Synonyms> (2,640)
Vetoryl

>  <Target> (2,640)
Dehydrogenase

>  <Form> (2,640)
Free Base

>  <URL> (2,640)
http://www.selleckchem.com/products/Trilostane.html

>  <CAS Number> (2,640)
13647-35-3

$$$$
Vecuronium Bromide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,641)
2641

>  <Formula> (2,641)
C34H57BrN2O4

>  <MolWeight> (2,641)
637.73138

>  <Item Name> (2,641)
Vecuronium Bromide

>  <Catalog Number> (2,641)
S1405

>  <Synonyms> (2,641)
Norcuron, Org NC 45

>  <Target> (2,641)
AChR

>  <Form> (2,641)
Bromide

>  <URL> (2,641)
http://www.selleckchem.com/products/Vecuronium-Bromide.html#

>  <CAS Number> (2,641)
50700-72-6

$$$$
bimatoprost.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,642)
2642

>  <Formula> (2,642)
C25H37NO4

>  <MolWeight> (2,642)
415.56558

>  <Item Name> (2,642)
Bimatoprost

>  <Catalog Number> (2,642)
S1407

>  <Synonyms> (2,642)
Lumigan

>  <Target> (2,642)
Immunology & Inflammation related

>  <Form> (2,642)
Free Base

>  <URL> (2,642)
http://www.selleckchem.com/products/Bimatoprost.html

>  <CAS Number> (2,642)
155206-00-1

$$$$
Linezolid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,643)
2643

>  <Formula> (2,643)
C16H20FN3O4

>  <MolWeight> (2,643)
337.3461032

>  <Item Name> (2,643)
Linezolid (Zyvox)

>  <Catalog Number> (2,643)
S1408

>  <Synonyms> (2,643)
Zyvoxid, Zyvoxam

>  <Target> (2,643)
Antifection

>  <Form> (2,643)
Free Base

>  <URL> (2,643)
http://www.selleckchem.com/products/Linezolid(Zyvox).html

>  <CAS Number> (2,643)
165800-03-3

$$$$
Alfuzosin HCl.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,644)
2644

>  <Formula> (2,644)
C19H28ClN5O4

>  <MolWeight> (2,644)
425.90972

>  <Item Name> (2,644)
Alfuzosin hydrochloride (Uroxatral)

>  <Catalog Number> (2,644)
S1409

>  <Synonyms> (2,644)
Uroxatral

>  <Target> (2,644)
Adrenergic Receptor

>  <Form> (2,644)
Hydrochloride

>  <URL> (2,644)
http://www.selleckchem.com/products/Alfuzosin-hydrochloride.html

>  <CAS Number> (2,644)
81403-68-1

$$$$
Clopidogrel bisulfate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,645)
2645

>  <Formula> (2,645)
C16H18ClNO6S2

>  <MolWeight> (2,645)
419.90022

>  <Item Name> (2,645)
Clopidogrel (Plavix)

>  <Catalog Number> (2,645)
S1415

>  <Synonyms> (2,645)
Iscover 

>  <Target> (2,645)
P2 Receptor

>  <Form> (2,645)
Sulfate

>  <URL> (2,645)
http://www.selleckchem.com/products/Clopidogrel-bisulfate.html

>  <CAS Number> (2,645)
120202-66-6

$$$$
5-Aminolevulinic acid hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,646)
2646

>  <Formula> (2,646)
C5H10ClNO3

>  <MolWeight> (2,646)
167.5908

>  <Item Name> (2,646)
5-Aminolevulinic acid hydrochloride

>  <Catalog Number> (2,646)
S2553

>  <Synonyms> (2,646)
Levulan, ALA

>  <Target> (2,646)
Others

>  <Form> (2,646)
Hydrochloride

>  <URL> (2,646)
http://www.selleckchem.com/products/5-Aminolevulinic-acid-hydrochloride.html

>  <CAS Number> (2,646)
5451-09-2

$$$$
Droxinostat.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,647)
2647

>  <Formula> (2,647)
C11H14ClNO3

>  <MolWeight> (2,647)
243.68676

>  <Item Name> (2,647)
Droxinostat

>  <Catalog Number> (2,647)
S1422

>  <Synonyms> (2,647)
N/A

>  <Target> (2,647)
HDAC 

>  <Form> (2,647)
Free Base

>  <URL> (2,647)
http://www.selleckchem.com/products/Droxinostat.html

>  <CAS Number> (2,647)
99873-43-5

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/10101813242D

 33 33  0  0  0  0  0  0  0  0999 V2000
    4.1915    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,648)
2648

>  <Formula> (2,648)
C24H35Cl2N3O4

>  <MolWeight> (2,648)
500.4584

>  <Item Name> (2,648)
Ranolazine dihydrochloride

>  <Catalog Number> (2,648)
S1425

>  <Synonyms> (2,648)
RS 43285-193, RS-43285, Ranexa, renolazine 

>  <Target> (2,648)
Calcium Channel

>  <Form> (2,648)
Dihydrochloride

>  <URL> (2,648)
http://www.selleckchem.com/products/Ranolazine-dihydrochloride.html

>  <CAS Number> (2,648)
95635-56-6

$$$$
Repaglinide.cdx
csChFnd80/10101813242D

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    3.6247    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,649)
2649

>  <Formula> (2,649)
C27H36N2O4

>  <MolWeight> (2,649)
452.58574

>  <Item Name> (2,649)
Repaglinide

>  <Catalog Number> (2,649)
S1426

>  <Synonyms> (2,649)
Prandin, GlucoNorm, NovoNorm

>  <Target> (2,649)
Potassium Channel

>  <Form> (2,649)
Free Base

>  <URL> (2,649)
http://www.selleckchem.com/products/Repaglinide.html

>  <CAS Number> (2,649)
135062-02-1

$$$$
Rolipram.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,650)
2650

>  <Formula> (2,650)
C16H21NO3

>  <MolWeight> (2,650)
275.34284

>  <Item Name> (2,650)
Rolipram

>  <Catalog Number> (2,650)
S1430

>  <Synonyms> (2,650)
N/A

>  <Target> (2,650)
PDE

>  <Form> (2,650)
Free Base

>  <URL> (2,650)
http://www.selleckchem.com/products/Rolipram.html

>  <CAS Number> (2,650)
61413-54-5

$$$$
A 922500.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,651)
2651

>  <Formula> (2,651)
C26H24N2O4

>  <MolWeight> (2,651)
428.47976

>  <Item Name> (2,651)
A 922500

>  <Catalog Number> (2,651)
S2674

>  <Synonyms> (2,651)
N/A

>  <Target> (2,651)
Diacylglycerol Acyltransferase 1

>  <Form> (2,651)
Free Base

>  <URL> (2,651)
http://www.selleckchem.com/products/a-922500.html

>  <CAS Number> (2,651)
959122-11-3

$$$$

csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,652)
2652

>  <Formula> (2,652)
C18H27N3O6S

>  <MolWeight> (2,652)
413.48848

>  <Item Name> (2,652)
Sumatriptan succinate

>  <Catalog Number> (2,652)
S1432

>  <Synonyms> (2,652)
Imigran, mitrex, Imitrex, Suminat, Sumitrex

>  <Target> (2,652)
5-HT Receptor

>  <Form> (2,652)
Succinate

>  <URL> (2,652)
http://www.selleckchem.com/products/Sumatriptan-succinate.html

>  <CAS Number> (2,652)
103628-48-4

$$$$
Tianeptine sodium salt.cdx
csChFnd80/10101813242D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,653)
2653

>  <Formula> (2,653)
C21H24ClN2NaO4S

>  <MolWeight> (2,653)
458.93403

>  <Item Name> (2,653)
Tianeptine sodium

>  <Catalog Number> (2,653)
S1436

>  <Synonyms> (2,653)
Stablon, Coaxil, Tatinol

>  <Target> (2,653)
5-HT Receptor

>  <Form> (2,653)
Sodium Salt

>  <URL> (2,653)
http://www.selleckchem.com/products/Tianeptine-sodium-salt.html

>  <CAS Number> (2,653)
30123-17-2

$$$$
Topiramate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,654)
2654

>  <Formula> (2,654)
C12H21NO8S

>  <MolWeight> (2,654)
339.36204

>  <Item Name> (2,654)
Topiramate

>  <Catalog Number> (2,654)
S1438

>  <Synonyms> (2,654)
Topamax

>  <Target> (2,654)
Carbonic Anhydrase

>  <Form> (2,654)
Free Base

>  <URL> (2,654)
http://www.selleckchem.com/products/Topiramate.html

>  <CAS Number> (2,654)
97240-79-4

$$$$
Tranilast.cdx
csChFnd80/10101813242D

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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,655)
2655

>  <Formula> (2,655)
C18H17NO5

>  <MolWeight> (2,655)
327.33128

>  <Item Name> (2,655)
Tranilast (SB 252218)

>  <Catalog Number> (2,655)
S1439

>  <Synonyms> (2,655)
Rizaben, MK 341, Tranpro

>  <Target> (2,655)
Immunology & Inflammation related

>  <Form> (2,655)
Free Base

>  <URL> (2,655)
http://www.selleckchem.com/products/Tranilast.html

>  <CAS Number> (2,655)
53902-12-8
53902-12-8

$$$$
Venlafaxine hydrochloride.cdx
csChFnd80/10101813242D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.0115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4322    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4322    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8075    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6446    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8571    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8571    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6446    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4322    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2358    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
  6  8  1  0  0  0  0
  7  9  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
 11 13  1  0  0  0  0
 10 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 10  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,656)
2656

>  <Formula> (2,656)
C17H28ClNO2

>  <MolWeight> (2,656)
313.86272

>  <Item Name> (2,656)
Venlafaxine HCl

>  <Catalog Number> (2,656)
S1441

>  <Synonyms> (2,656)
Effexor, Efexor 

>  <Target> (2,656)
5-HT Receptor

>  <Form> (2,656)
Hydrochloride

>  <URL> (2,656)
http://www.selleckchem.com/products/Venlafaxine-hydrochloride.html

>  <CAS Number> (2,656)
99300-78-4

$$$$
Voriconazole.cdx
csChFnd80/10101813242D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.8000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    4.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    4.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1000    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    4.8413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9879    4.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    6.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    7.2578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    7.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    8.7735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685    9.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2281    8.5367    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
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  0  0  0  0
 11 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 11  1  0  0  0  0
 18 19  1  0  0  0  0
  8 20  1  6  0  0  0
  9 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  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,657)
2657

>  <Formula> (2,657)
C16H14F3N5O

>  <MolWeight> (2,657)
349.3104696

>  <Item Name> (2,657)
Voriconazole

>  <Catalog Number> (2,657)
S1442

>  <Synonyms> (2,657)
Vfend

>  <Target> (2,657)
P450

>  <Form> (2,657)
Free Base

>  <URL> (2,657)
http://www.selleckchem.com/products/Voriconazole.html

>  <CAS Number> (2,657)
137234-62-9

$$$$
Zileuton.cdx
csChFnd80/10101813242D

 16 17  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
    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
    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
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6720    2.6082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7647    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7647    3.8165    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
  8  9  1  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,658)
2658

>  <Formula> (2,658)
C11H12N2O2S

>  <MolWeight> (2,658)
236.29018

>  <Item Name> (2,658)
Zileuton

>  <Catalog Number> (2,658)
S1443

>  <Synonyms> (2,658)
ZYFLO

>  <Target> (2,658)
Lipoxygenase

>  <Form> (2,658)
Free Base

>  <URL> (2,658)
http://www.selleckchem.com/products/Zileuton.html

>  <CAS Number> (2,658)
111406-87-2

$$$$
Ziprasidone hydrochloride.cdx
csChFnd80/10101813242D

 29 32  0  0  0  0  0  0  0  0999 V2000
   13.3575    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1575    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4575    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0575    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8901    3.7563    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7575    4.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6248    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2934    4.1890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0023    5.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6708    5.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6304    5.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9215    3.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2530    3.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2989    5.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3090    4.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5943    6.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420    6.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2521    5.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144    4.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667    3.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540    5.6572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403    3.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5843    7.2015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8534    7.9112    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  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
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  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 18  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 19 27  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,659)
2659

>  <Formula> (2,659)
C21H22Cl2N4OS

>  <MolWeight> (2,659)
449.39658

>  <Item Name> (2,659)
Ziprasidone hydrochloride

>  <Catalog Number> (2,659)
S1444

>  <Synonyms> (2,659)
Geodon, Zeldox

>  <Target> (2,659)
5-HT Receptor,Dopamine Receptor

>  <Form> (2,659)
Hydrochloride

>  <URL> (2,659)
http://www.selleckchem.com/products/Ziprasidone-hydrochloride.html

>  <CAS Number> (2,659)
122883-93-6

$$$$
Zonisamide.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.7698    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4698    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8698    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5698    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8698    2.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4698    2.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2541    3.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4004    1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    0.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6744    2.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3991    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,660)
2660

>  <Formula> (2,660)
C8H8N2O3S

>  <MolWeight> (2,660)
212.22572

>  <Item Name> (2,660)
Zonisamide

>  <Catalog Number> (2,660)
S1445

>  <Synonyms> (2,660)
Zonegran

>  <Target> (2,660)
Sodium Channel

>  <Form> (2,660)
Free Base

>  <URL> (2,660)
http://www.selleckchem.com/products/Zonisamide.html

>  <CAS Number> (2,660)
68291-97-4

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/10101813242D

 42 46  0  0  0  0  0  0  0  0999 V2000
   10.8867    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 F   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
   18.1529    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    6.2903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 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  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 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 17  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  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 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 34  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (2,661)
2661

>  <Formula> (2,661)
C31H31ClFN7O2

>  <MolWeight> (2,661)
588.0749432

>  <Item Name> (2,661)
Aurora A Inhibitor I

>  <Catalog Number> (2,661)
S1451

>  <Synonyms> (2,661)
N/A

>  <Target> (2,661)
Aurora Kinase

>  <Form> (2,661)
Free Base

>  <URL> (2,661)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

>  <CAS Number> (2,661)
1158838-45-9

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/10101813242D

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.0538   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   14.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    9.7806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   11.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.6830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  9 14  2  0  0  0  0
 10 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 11  1  0  0  0  0
 17 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 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 27  1  0  0  0  0
 31 34  1  0  0  0  0
 25 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (2,662)
2662

>  <Formula> (2,662)
C30H33ClN4O2

>  <MolWeight> (2,662)
517.06162

>  <Item Name> (2,662)
Ispinesib (SB-715992)

>  <Catalog Number> (2,662)
S1452

>  <Synonyms> (2,662)
N/A 

>  <Target> (2,662)
Kinesin

>  <Form> (2,662)
Free Base

>  <URL> (2,662)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

>  <CAS Number> (2,662)
336113-53-2

$$$$
Tipifarnib.cdx
csChFnd80/10101813242D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    3.4240    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 15 33  1  0  0  0  0
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M  END
>  <Mol_ID> (2,663)
2663

>  <Formula> (2,663)
C27H22Cl2N4O

>  <MolWeight> (2,663)
489.39578

>  <Item Name> (2,663)
Tipifarnib (Zarnestra)

>  <Catalog Number> (2,663)
S1453

>  <Synonyms> (2,663)
R115777

>  <Target> (2,663)
Farnesyltransferase, Ras

>  <Form> (2,663)
Free Base

>  <URL> (2,663)
http://www.selleckchem.com/products/Tipifarnib(R115777).html

>  <CAS Number> (2,663)
192185-72-1

$$$$
PHA-6806320.cdx
csChFnd80/10101813242D

 37 41  0  0  0  0  0  0  0  0999 V2000
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>  <Item Name> (2,669)
Roxadustat (FG-4592)

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S1007

>  <Synonyms> (2,669)
N/A 

>  <Target> (2,669)
HIF

>  <Form> (2,669)
Free Base

>  <URL> (2,669)
http://www.selleckchem.com/products/fg-4592.html

>  <CAS Number> (2,669)
808118-40-3

$$$$
Calcitriol .cdx
csChFnd80/10101813242D

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>  <Formula> (2,670)
C27H44O3

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Calcitriol (Rocaltrol)

>  <Catalog Number> (2,670)
S1466

>  <Synonyms> (2,670)
Calcijex, Silkis, Rocaltrol, Topitriol, Cholecalciferol 

>  <Target> (2,670)
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>  <Form> (2,670)
Free Base

>  <URL> (2,670)
http://www.selleckchem.com/products/Calcitriol-(Rocaltrol).html

>  <CAS Number> (2,670)
32222-06-3

$$$$
Doxercalciferol.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,671)
2671

>  <Formula> (2,671)
C28H44O2

>  <MolWeight> (2,671)
412.64776

>  <Item Name> (2,671)
Doxercalciferol (Hectorol)

>  <Catalog Number> (2,671)
S1467

>  <Synonyms> (2,671)
Hectorol

>  <Target> (2,671)
Vitamin

>  <Form> (2,671)
Free Base

>  <URL> (2,671)
http://www.selleckchem.com/products/Doxercalciferol(Hectorol).html

>  <CAS Number> (2,671)
54573-75-0

$$$$
Alfacalcidol.cdx
csChFnd80/10101813242D

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>  <Formula> (2,672)
C27H44O2

>  <MolWeight> (2,672)
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>  <Item Name> (2,672)
Alfacalcidol

>  <Catalog Number> (2,672)
S1468

>  <Synonyms> (2,672)
Alpha D3, Etalpha

>  <Target> (2,672)
Vitamin

>  <Form> (2,672)
Free Base

>  <URL> (2,672)
http://www.selleckchem.com/products/Alfacalcidol.html

>  <CAS Number> (2,672)
41294-56-8

$$$$
Moxifloxacin hydrochloride.cdx
csChFnd80/10101813242D

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2673

>  <Formula> (2,673)
C21H25ClFN3O4

>  <MolWeight> (2,673)
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>  <Item Name> (2,673)
Moxifloxacin hydrochloride

>  <Catalog Number> (2,673)
S1465

>  <Synonyms> (2,673)
Avelox, Avalox

>  <Target> (2,673)
Topoisomerase

>  <Form> (2,673)
Hydrochloride

>  <URL> (2,673)
http://www.selleckchem.com/products/Moxifloxacin.html

>  <CAS Number> (2,673)
186826-86-8

$$$$
Cyclamic acid.cdx
csChFnd80/10101813242D

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2674

>  <Formula> (2,674)
C6H13NO3S

>  <MolWeight> (2,674)
179.23732

>  <Item Name> (2,674)
Cyclamic acid

>  <Catalog Number> (2,674)
S4015

>  <Synonyms> (2,674)
N/A

>  <Target> (2,674)
Others

>  <Form> (2,674)
Free Base

>  <URL> (2,674)
http://www.selleckchem.com/products/cyclamic-acid.html

>  <CAS Number> (2,674)
100-88-9

$$$$
TSU-68 (SU6668).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,675)
2675

>  <Formula> (2,675)
C18H18N2O3

>  <MolWeight> (2,675)
310.34712

>  <Item Name> (2,675)
Orantinib (TSU-68, SU6668)

>  <Catalog Number> (2,675)
S1470

>  <Synonyms> (2,675)
NSC 702827

>  <Target> (2,675)
VEGFR, PDGFR , FGFR 

>  <Form> (2,675)
Free Base

>  <URL> (2,675)
http://www.selleckchem.com/products/TSU-68(SU6668).html

>  <CAS Number> (2,675)
252916-29-3

$$$$
FCE28073.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,676)
2676

>  <Formula> (2,676)
C18H23FN2O5S

>  <MolWeight> (2,676)
398.4490232

>  <Item Name> (2,676)
Safinamide Mesylate (FCE28073)

>  <Catalog Number> (2,676)
S1472

>  <Synonyms> (2,676)
FCE-28073(R-isomer), PNU-151774E, NW-1015 

>  <Target> (2,676)
MAO

>  <Form> (2,676)
Mesylate

>  <URL> (2,676)
http://www.selleckchem.com/products/Safinamide-mesilate.html

>  <CAS Number> (2,676)
202825-46-5

$$$$
GSK429286A.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,677)
2677

>  <Formula> (2,677)
C21H16F4N4O2

>  <MolWeight> (2,677)
432.3709528

>  <Item Name> (2,677)
GSK429286A

>  <Catalog Number> (2,677)
S1474

>  <Synonyms> (2,677)
N/A

>  <Target> (2,677)
ROCK 

>  <Form> (2,677)
Free Base

>  <URL> (2,677)
http://www.selleckchem.com/products/GSK429286A.html

>  <CAS Number> (2,677)
864082-47-3

$$$$
AS-703026.cdx
csChFnd80/10101813242D

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AEE-788.cdx
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C27H32N6

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AEE788 (NVP-AEE788)

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>  <Synonyms> (2,686)
N/A 

>  <Target> (2,686)
EGFR, Flt, VEGFR, HER2

>  <Form> (2,686)
Free Base

>  <URL> (2,686)
http://www.selleckchem.com/products/AEE788.html

>  <CAS Number> (2,686)
497839-62-0

$$$$
PHA-793887.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,687)
2687

>  <Formula> (2,687)
C19H31N5O2

>  <MolWeight> (2,687)
361.48174

>  <Item Name> (2,687)
PHA-793887

>  <Catalog Number> (2,687)
S1487

>  <Synonyms> (2,687)
N/A

>  <Target> (2,687)
CDK

>  <Form> (2,687)
Free Base

>  <URL> (2,687)
http://www.selleckchem.com/products/PHA-793887.html

>  <CAS Number> (2,687)
718630-59-2

$$$$
Naratriptan Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,688)
2688

>  <Formula> (2,688)
C17H26ClN3O2S

>  <MolWeight> (2,688)
371.92524

>  <Item Name> (2,688)
Naratriptan HCl

>  <Catalog Number> (2,688)
S1488 

>  <Synonyms> (2,688)
Amerge, Naramig

>  <Target> (2,688)
5-HT Receptor

>  <Form> (2,688)
Hydrochloride

>  <URL> (2,688)
http://www.selleckchem.com/products/Naratriptan(Amerge).html

>  <CAS Number> (2,688)
143388-64-1

$$$$

csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,689)
2689

>  <Formula> (2,689)
C14H16ClN3O4S2

>  <MolWeight> (2,689)
389.87754

>  <Item Name> (2,689)
PIK-93

>  <Catalog Number> (2,689)
S1489

>  <Synonyms> (2,689)
N/A

>  <Target> (2,689)
PI3K, VEGFR

>  <Form> (2,689)
Free Base

>  <URL> (2,689)
http://www.selleckchem.com/products/PIK-93.html

>  <CAS Number> (2,689)
593960-11-3

$$$$
AP24534.cdx
csChFnd80/10101813242D

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M  END
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2690

>  <Formula> (2,690)
C29H27F3N6O

>  <MolWeight> (2,690)
532.5594896

>  <Item Name> (2,690)
Ponatinib (AP24534)

>  <Catalog Number> (2,690)
S1490

>  <Synonyms> (2,690)
N/A 

>  <Target> (2,690)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (2,690)
Free Base

>  <URL> (2,690)
http://www.selleckchem.com/products/AP24534.html

>  <CAS Number> (2,690)
943319-70-8

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,691)
2691

>  <Formula> (2,691)
C23H31NO7

>  <MolWeight> (2,691)
433.49474

>  <Item Name> (2,691)
Mycophenolate mofetil (CellCept)

>  <Catalog Number> (2,691)
S1501

>  <Synonyms> (2,691)
CellCept, RS 61443, TM-MMF

>  <Target> (2,691)
Dehydrogenase

>  <Form> (2,691)
Free Base

>  <URL> (2,691)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

>  <CAS Number> (2,691)
128794-94-5

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,692)
2692

>  <Formula> (2,692)
C10H14N4O4

>  <MolWeight> (2,692)
254.24256

>  <Item Name> (2,692)
Dyphylline (Dilor)

>  <Catalog Number> (2,692)
S1504

>  <Synonyms> (2,692)
Neothylline, Lufyllin, diprophylline

>  <Target> (2,692)
PDE

>  <Form> (2,692)
Free Base

>  <URL> (2,692)
http://www.selleckchem.com/products/Dyphylline(Dilor).html

>  <CAS Number> (2,692)
479-18-5

$$$$
AZACTAM (aztreonam).cdx
csChFnd80/10101813242D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,693)
2693

>  <Formula> (2,693)
C13H17N5O8S2

>  <MolWeight> (2,693)
435.43278

>  <Item Name> (2,693)
Aztreonam (Azactam, Cayston)

>  <Catalog Number> (2,693)
S1505

>  <Synonyms> (2,693)
Monobactam, SQ 26776, Squibb 26776 

>  <Target> (2,693)
Antifection

>  <Form> (2,693)
Free Base

>  <URL> (2,693)
http://www.selleckchem.com/products/Aztreonam(Azactam).html

>  <CAS Number> (2,693)
78110-38-0

$$$$
CIALIS (tadalafil).cdx
csChFnd80/10101813242D

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PDE

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Free Base

>  <URL> (2,694)
http://www.selleckchem.com/products/Tadalafil(Cialis).html

>  <CAS Number> (2,694)
171596-29-5

$$$$
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>  <Formula> (2,695)
C62H111N11O12

>  <MolWeight> (2,695)
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>  <Item Name> (2,695)
Cyclosporine (Neoral)

>  <Catalog Number> (2,695)
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>  <Synonyms> (2,695)
Sandimmune, Gengraf, Restasis, Atopica, Sangcya 

>  <Target> (2,695)
phosphatase

>  <Form> (2,695)
Free Base

>  <URL> (2,695)
http://www.selleckchem.com/products/Cyclosporine.html

>  <CAS Number> (2,695)
79217-60-0

$$$$
SB 939.cdx
csChFnd80/10101813242D

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>  <Formula> (2,696)
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>  <Item Name> (2,696)
SB939 (Pracinostat)

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S1515

>  <Synonyms> (2,696)
N/A 

>  <Target> (2,696)
HDAC

>  <Form> (2,696)
Free Base

>  <URL> (2,696)
http://www.selleckchem.com/products/SB939.html

>  <CAS Number> (2,696)
929016-96-6

$$$$
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csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,705)
2705

>  <Formula> (2,705)
C27H28N4O2

>  <MolWeight> (2,705)
440.53682

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BIX 02189

>  <Catalog Number> (2,705)
S1531

>  <Synonyms> (2,705)
N/A

>  <Target> (2,705)
MEK 

>  <Form> (2,705)
Free Base

>  <URL> (2,705)
http://www.selleckchem.com/products/BIX-02189.html

>  <CAS Number> (2,705)
1094614-85-3

$$$$
Milnacipran hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,706)
2706

>  <Formula> (2,706)
C15H23ClN2O

>  <MolWeight> (2,706)
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Milnacipran HCl

>  <Catalog Number> (2,706)
S3140

>  <Synonyms> (2,706)
N/A

>  <Target> (2,706)
5-HT Receptor

>  <Form> (2,706)
HCl

>  <URL> (2,706)
http://www.selleckchem.com/products/milnacipran-hydrochloride.html

>  <CAS Number> (2,706)
101152-94-7

$$$$
Darifenacin hydrobromide.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,707)
2707

>  <Formula> (2,707)
C28H31BrN2O2

>  <MolWeight> (2,707)
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>  <Item Name> (2,707)
Darifenacin HBr

>  <Catalog Number> (2,707)
S3144

>  <Synonyms> (2,707)
N/A 

>  <Target> (2,707)
AChR

>  <Form> (2,707)
HBr

>  <URL> (2,707)
http://www.selleckchem.com/products/darifenacin-hydrobromide.html

>  <CAS Number> (2,707)
133099-07-7

$$$$
2-Thiouracil.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,708)
2708

>  <Formula> (2,708)
C4H4N2OS

>  <MolWeight> (2,708)
128.15236

>  <Item Name> (2,708)
2-Thiouracil

>  <Catalog Number> (2,708)
S3100

>  <Synonyms> (2,708)
N/A 

>  <Target> (2,708)
Others

>  <Form> (2,708)
Free Base

>  <URL> (2,708)
http://www.selleckchem.com/products/2-thiouracil.html

>  <CAS Number> (2,708)
141-90-2

$$$$
AZD7762.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,709)
2709

>  <Formula> (2,709)
C17H19FN4O2S

>  <MolWeight> (2,709)
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>  <Item Name> (2,709)
AZD7762

>  <Catalog Number> (2,709)
S1532

>  <Synonyms> (2,709)
N/A

>  <Target> (2,709)
Chk

>  <Form> (2,709)
Free Base

>  <URL> (2,709)
http://www.selleckchem.com/products/AZD7762.html

>  <CAS Number> (2,709)
860352-01-8

$$$$
R406 free base.cdx
csChFnd80/10101813242D

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DMXAA.cdx
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 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
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M  END
>  <Mol_ID> (2,714)
2714

>  <Formula> (2,714)
C19H18N4O2

>  <MolWeight> (2,714)
334.37182

>  <Item Name> (2,714)
Pimobendan (Vetmedin)

>  <Catalog Number> (2,714)
S1550

>  <Synonyms> (2,714)
Acardi, pimobendane

>  <Target> (2,714)
PDE

>  <Form> (2,714)
Free Base

>  <URL> (2,714)
http://www.selleckchem.com/products/Pimobendan(Vetmedin).html

>  <CAS Number> (2,714)
74150-27-9

$$$$
ABELCET (amphotericin b).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,715)
2715

>  <Formula> (2,715)
C47H73NO17

>  <MolWeight> (2,715)
924.07902

>  <Item Name> (2,715)
Amphotericin B

>  <Catalog Number> (2,715)
S1636

>  <Synonyms> (2,715)
N/A

>  <Target> (2,715)
Antifection

>  <Form> (2,715)
Free Base

>  <URL> (2,715)
http://www.selleckchem.com/products/Amphotericin-B(Abelcet).

>  <CAS Number> (2,715)
1397-89-3

$$$$
Azelastine hydrochloride.cdx
csChFnd80/10101813242D

 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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M  END
>  <Mol_ID> (2,716)
2716

>  <Formula> (2,716)
C22H25Cl2N3O

>  <MolWeight> (2,716)
418.3594

>  <Item Name> (2,716)
Azelastine hydrochloride (Astelin)

>  <Catalog Number> (2,716)
S2552 

>  <Synonyms> (2,716)
Allergodil, Rhinolast, Astelin, Optilas, Optivar 

>  <Target> (2,716)
Histamine Receptor

>  <Form> (2,716)
Hydrochloride

>  <URL> (2,716)
http://www.selleckchem.com/products/Azelastine-hydrochloride-Astelin.html

>  <CAS Number> (2,716)
79307-93-0

$$$$
Clarithromycin.cdx
csChFnd80/10101813242D

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Akt, S6 kinase

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c-Met

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MEK 

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Free Base

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http://www.selleckchem.com/products/PD318088.html

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391210-00-7 

$$$$
AVAGE (tazarotene).cdx
csChFnd80/10101813242D

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Tazarotene (Avage)

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Tazorac, Avage, Zora

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Retinoid Receptor

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Free Base

>  <URL> (2,727)
http://www.selleckchem.com/products/Tazarotene(Avage).html

>  <CAS Number> (2,727)
118292-40-3

$$$$
KU-60019.cdx
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N/A

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ATM 

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Free Base

>  <URL> (2,728)
http://www.selleckchem.com/products/KU-60019.html

>  <CAS Number> (2,728)
925701-49-1

$$$$
BS-181.cdx
csChFnd80/10101813242D

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BS-181 HCl

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CDK 

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>  <URL> (2,729)
http://www.selleckchem.com/products/BS-181.html

>  <CAS Number> (2,729)
1397219-81-6

$$$$
Fasudil HCl.cdx
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M  END
>  <Mol_ID> (2,730)
2730

>  <Formula> (2,730)
C14H18ClN3O2S

>  <MolWeight> (2,730)
327.82962

>  <Item Name> (2,730)
Fasudil HCl (HA-1077)

>  <Catalog Number> (2,730)
S1573

>  <Synonyms> (2,730)
AT-877 

>  <Target> (2,730)
ROCK

>  <Form> (2,730)
Hydrochloride

>  <URL> (2,730)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (2,730)
105628-07-7

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/10101813242D

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 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (2,731)
2731

>  <Formula> (2,731)
C31H37N5O3

>  <MolWeight> (2,731)
527.65718

>  <Item Name> (2,731)
BIRB 796 (Doramapimod)

>  <Catalog Number> (2,731)
S1574

>  <Synonyms> (2,731)
N/A

>  <Target> (2,731)
p38 MAPK

>  <Form> (2,731)
Free Base

>  <URL> (2,731)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (2,731)
285983-48-4

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/10101813242D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    7.2704    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> (2,732)
2732

>  <Formula> (2,732)
C26H21N3O2S

>  <MolWeight> (2,732)
439.52884

>  <Item Name> (2,732)
Tie2 kinase inhibitor

>  <Catalog Number> (2,732)
S1577

>  <Synonyms> (2,732)
N/A

>  <Target> (2,732)
Tie-2

>  <Form> (2,732)
Free Base

>  <URL> (2,732)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

>  <CAS Number> (2,732)
948557-43-5

$$$$
Candesartan.cdx
csChFnd80/10101813242D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,733)
2733

>  <Formula> (2,733)
C24H20N6O3

>  <MolWeight> (2,733)
440.454

>  <Item Name> (2,733)
Candesartan (Atacand)

>  <Catalog Number> (2,733)
S1578

>  <Synonyms> (2,733)
Atacand, Blopress, Amias, Ratacand

>  <Target> (2,733)
RAAS

>  <Form> (2,733)
Free Base

>  <URL> (2,733)
http://www.selleckchem.com/products/Candesartan(Atacand).html

>  <CAS Number> (2,733)
139481-59-7

$$$$
Altrenogest.cdx
csChFnd80/10101813242D

 25 28  0  0  0  0  0  0  0  0999 V2000
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Estrogen/progestogen Receptor

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Free Base

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

>  <CAS Number> (2,734)
850-52-2

$$$$
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>  <URL> (2,735)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

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503612-47-3

$$$$
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LY-450139, LY450139

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Gamma-secretase

>  <Form> (2,736)
Free Base

>  <URL> (2,736)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

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425386-60-3

$$$$
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>  <Formula> (2,737)
C33H40N2O9

>  <MolWeight> (2,737)
608.6787

>  <Item Name> (2,737)
Reserpine

>  <Catalog Number> (2,737)
S1601

>  <Synonyms> (2,737)
N/A

>  <Target> (2,737)
Others

>  <Form> (2,737)
Free Base

>  <URL> (2,737)
http://www.selleckchem.com/products/Reserpine.html

>  <CAS Number> (2,737)
50-55-5

$$$$

csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,738)
2738

>  <Formula> (2,738)
C27H30Cl2F2N6O

>  <MolWeight> (2,738)
563.4695064

>  <Item Name> (2,738)
NVP-BSK805 2HCl

>  <Catalog Number> (2,738)
S2686 

>  <Synonyms> (2,738)
N/A

>  <Target> (2,738)
JAK

>  <Form> (2,738)
HCl

>  <URL> (2,738)
http://www.selleckchem.com/products/nvp-bsk805.html

>  <CAS Number> (2,738)
1092499-93-8 (free base)

$$$$
Furosemide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,739)
2739

>  <Formula> (2,739)
C12H11ClN2O5S

>  <MolWeight> (2,739)
330.74414

>  <Item Name> (2,739)
Furosemide (Lasix)

>  <Catalog Number> (2,739)
S1603

>  <Synonyms> (2,739)
Lasix, Frusemide

>  <Target> (2,739)
Sodium Channel

>  <Form> (2,739)
Free Base

>  <URL> (2,739)
http://www.selleckchem.com/products/Furosemide(Lasix).html

>  <CAS Number> (2,739)
54-31-9

$$$$
CEFDINIR (cefdinir).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,740)
2740

>  <Formula> (2,740)
C14H13N5O5S2

>  <MolWeight> (2,740)
395.41352

>  <Item Name> (2,740)
Cefdinir (Omnicef)

>  <Catalog Number> (2,740)
S1605

>  <Synonyms> (2,740)
FK-482, BMY-28488, PD 134393, CI-983 

>  <Target> (2,740)
Antifection

>  <Form> (2,740)
Free Base

>  <URL> (2,740)
http://www.selleckchem.com/products/Cefdinir(Omnicef).html

>  <CAS Number> (2,740)
91832-40-5

$$$$
LOTRIMIN (clotrimazole).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,741)
2741

>  <Formula> (2,741)
C22H17ClN2

>  <MolWeight> (2,741)
344.83678

>  <Item Name> (2,741)
Clotrimazole (Canesten)

>  <Catalog Number> (2,741)
S1606

>  <Synonyms> (2,741)
Lotrimin, Mycelex, Canesten

>  <Target> (2,741)
Antifection

>  <Form> (2,741)
Free Base

>  <URL> (2,741)
http://www.selleckchem.com/products/Clotrimazole(Canesten).html

>  <CAS Number> (2,741)
23593-75-1

$$$$
MAXALT (rizatriptan benzoate).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,742)
2742

>  <Formula> (2,742)
C22H25N5O2

>  <MolWeight> (2,742)
391.4662

>  <Item Name> (2,742)
Rizatriptan Benzoate (Maxalt)

>  <Catalog Number> (2,742)
S1607

>  <Synonyms> (2,742)
MK-462, Maxalt

>  <Target> (2,742)
NULL

>  <Form> (2,742)
Benzoate

>  <URL> (2,742)
http://www.selleckchem.com/products/Rizatriptan-Benzoate(Maxalt).html

>  <CAS Number> (2,742)
145202-66-0

$$$$
MESTINON (pyridostigmine bromide).cdx
csChFnd80/10101813242D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.0664    4.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,743)
2743

>  <Formula> (2,743)
C9H13BrN2O2

>  <MolWeight> (2,743)
261.11572

>  <Item Name> (2,743)
Pyridostigmine Bromide (Mestinon)

>  <Catalog Number> (2,743)
S1608

>  <Synonyms> (2,743)
N/A

>  <Target> (2,743)
AChR

>  <Form> (2,743)
Bromide

>  <URL> (2,743)
http://www.selleckchem.com/products/Pyridostigmine-Bromide(Mestinon).html

>  <CAS Number> (2,743)
101-26-8

$$$$
METHIMAZOLE (methimazole).cdx
csChFnd80/10101813242D

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    0.4326    3.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    2.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    1.7869    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,744)
2744

>  <Formula> (2,744)
C4H6N2S

>  <MolWeight> (2,744)
114.16884

>  <Item Name> (2,744)
Methimazole (Tapazole, Northyx)

>  <Catalog Number> (2,744)
S1609

>  <Synonyms> (2,744)
Basolan, Metazolo, Thiamazole

>  <Target> (2,744)
Others

>  <Form> (2,744)
Free Base

>  <URL> (2,744)
http://www.selleckchem.com/products/Methimazole(Tapazole).html

>  <CAS Number> (2,744)
60-56-0

$$$$
METOLAZONE (metolazone).cdx
csChFnd80/10101813242D

 24 26  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> (2,745)
2745

>  <Formula> (2,745)
C16H16ClN3O3S

>  <MolWeight> (2,745)
365.83454

>  <Item Name> (2,745)
Metolazone (Zaroxolyn)

>  <Catalog Number> (2,745)
S1610

>  <Synonyms> (2,745)
Mykrox, Zaroxolyn, Diulo

>  <Target> (2,745)
Others

>  <Form> (2,745)
Free Base

>  <URL> (2,745)
http://www.selleckchem.com/products/Metolazone(Zaroxolyn).html

>  <CAS Number> (2,745)
17560-51-9

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/10101813242D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,746)
2746

>  <Formula> (2,746)
C29H35NO2

>  <MolWeight> (2,746)
429.5937

>  <Item Name> (2,746)
Mifepristone (Mifeprex)

>  <Catalog Number> (2,746)
S2606

>  <Synonyms> (2,746)
RU-486, Mifegyne 

>  <Target> (2,746)
Estrogen/progestogen Receptor

>  <Form> (2,746)
Free Base

>  <URL> (2,746)
http://www.selleckchem.com/products/Mifepristone(Mifeprex).html

>  <CAS Number> (2,746)
84371-65-3

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/10101813242D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,747)
2747

>  <Formula> (2,747)
C8H5F3N2OS

>  <MolWeight> (2,747)
234.1983096

>  <Item Name> (2,747)
Riluzole (Rilutek)

>  <Catalog Number> (2,747)
S1614

>  <Synonyms> (2,747)
PK-26124, RP-54274, Rilutek

>  <Target> (2,747)
Sodium Channel

>  <Form> (2,747)
Free Base

>  <URL> (2,747)
http://www.selleckchem.com/products/Riluzole(Rilutek).html

>  <CAS Number> (2,747)
1744-22-5

$$$$
Artemether.cdx
csChFnd80/10101813242D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  1 24  1  6  0  0  0
M  END
>  <Mol_ID> (2,748)
2748

>  <Formula> (2,748)
C16H26O5

>  <MolWeight> (2,748)
298.37464

>  <Item Name> (2,748)
Artemether

>  <Catalog Number> (2,748)
S2264

>  <Synonyms> (2,748)
SM-224, CGP 56696

>  <Target> (2,748)
Antifection

>  <Form> (2,748)
Free Base

>  <URL> (2,748)
http://www.selleckchem.com/products/Artemether(SM-224).html

>  <CAS Number> (2,748)
71963-77-4

$$$$
SULLA (sulfameter).cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    1.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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M  END
>  <Mol_ID> (2,749)
2749

>  <Formula> (2,749)
C11H12N4O3S

>  <MolWeight> (2,749)
280.30298

>  <Item Name> (2,749)
Sulfameter (Bayrena)

>  <Catalog Number> (2,749)
S1618

>  <Synonyms> (2,749)
Sulfamethoxydiazine, Sulfametin, Sulfametorine, Sulfamethoxine, AHR-857, Berlicid 

>  <Target> (2,749)
DHFR

>  <Form> (2,749)
Free Base

>  <URL> (2,749)
http://www.selleckchem.com/products/Sulfameter(Bayrena).html

>  <CAS Number> (2,749)
651-06-9

$$$$
Prilocaine.cdx
csChFnd80/10101813242D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,750)
2750

>  <Formula> (2,750)
C13H20N2O

>  <MolWeight> (2,750)
220.3107

>  <Item Name> (2,750)
Prilocaine

>  <Catalog Number> (2,750)
S1619

>  <Synonyms> (2,750)
N/A

>  <Target> (2,750)
Sodium Channel

>  <Form> (2,750)
Free Base

>  <URL> (2,750)
http://www.selleckchem.com/products/Prilocaine.html

>  <CAS Number> (2,750)
721-50-6

$$$$
FERNISONE (prednisone).cdx
csChFnd80/10101813242D

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    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
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    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,751)
2751

>  <Formula> (2,751)
C21H26O5

>  <MolWeight> (2,751)
358.42814

>  <Item Name> (2,751)
Prednisone (Adasone)

>  <Catalog Number> (2,751)
S1622

>  <Synonyms> (2,751)
Deltasone, Liquid Pred, Orasone, Adasone

>  <Target> (2,751)
Glucocorticoid Receptor

>  <Form> (2,751)
Free Base

>  <URL> (2,751)
http://www.selleckchem.com/products/Prednisone.html

>  <CAS Number> (2,751)
53-03-2

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/10101813242D

 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
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    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
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M  END
>  <Mol_ID> (2,752)
2752

>  <Formula> (2,752)
C5H9NO3S

>  <MolWeight> (2,752)
163.19486

>  <Item Name> (2,752)
Acetylcysteine

>  <Catalog Number> (2,752)
S1623

>  <Synonyms> (2,752)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (2,752)
AChR

>  <Form> (2,752)
Free Base

>  <URL> (2,752)
http://www.selleckchem.com/products/Acetylcysteine.html

>  <CAS Number> (2,752)
616-91-1

$$$$
ALESSE (ethinyl estradiol).cdx
csChFnd80/10101813242D

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    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
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    9.9542    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3065    5.3573    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
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M  END
>  <Mol_ID> (2,753)
2753

>  <Formula> (2,753)
C20H24O2

>  <MolWeight> (2,753)
296.40336

>  <Item Name> (2,753)
Ethinyl Estradiol

>  <Catalog Number> (2,753)
S1625

>  <Synonyms> (2,753)
Ethynylestradiol

>  <Target> (2,753)
Estrogen/progestogen Receptor

>  <Form> (2,753)
Free Base

>  <URL> (2,753)
http://www.selleckchem.com/products/Ethinyl-Estradiol.html

>  <CAS Number> (2,753)
57-63-6

$$$$
Naproxen sodium.cdx
csChFnd80/10101813242D

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    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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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    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
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  1  2  2  0  0  0  0
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  2 11  1  0  0  0  0
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 14 17  2  0  0  0  0
 13 18  1  6  0  0  0
M  END
>  <Mol_ID> (2,754)
2754

>  <Formula> (2,754)
C14H13NaO3

>  <MolWeight> (2,754)
252.24099

>  <Item Name> (2,754)
Naproxen Sodium

>  <Catalog Number> (2,754)
S1626

>  <Synonyms> (2,754)
Anaprox, Naprelan 

>  <Target> (2,754)
COX

>  <Form> (2,754)
Sodium Salt

>  <URL> (2,754)
http://www.selleckchem.com/products/Naproxen-Sodium(Aleve).html

>  <CAS Number> (2,754)
26159-34-2

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2040    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,755)
2755

>  <Formula> (2,755)
C12H9N3O5S

>  <MolWeight> (2,755)
307.28196

>  <Item Name> (2,755)
Nitazoxanide (Alinia, Annita)

>  <Catalog Number> (2,755)
S1627

>  <Synonyms> (2,755)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (2,755)
Others

>  <Form> (2,755)
Free Base

>  <URL> (2,755)
http://www.selleckchem.com/products/Nitazoxanide(Alinia).html

>  <CAS Number> (2,755)
55981-09-4

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/10101813242D

 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
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,756)
2756

>  <Formula> (2,756)
C24H31FO6

>  <MolWeight> (2,756)
434.4977432

>  <Item Name> (2,756)
Triamcinolone Acetonide

>  <Catalog Number> (2,756)
S1628

>  <Synonyms> (2,756)
Azmacort

>  <Target> (2,756)
Glucocorticoid Receptor

>  <Form> (2,756)
Free Base

>  <URL> (2,756)
http://www.selleckchem.com/products/Triamcinolone-Acetonide.html

>  <CAS Number> (2,756)
76-25-5 

$$$$
ALLI (orlistat).cdx
csChFnd80/10101813242D

 35 35  0  0  0  0  0  0  0  0999 V2000
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    8.4316    5.3121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4316    6.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,757)
2757

>  <Formula> (2,757)
C29H53NO5

>  <MolWeight> (2,757)
495.73482

>  <Item Name> (2,757)
Orlistat (Alli, Xenical)

>  <Catalog Number> (2,757)
S1629

>  <Synonyms> (2,757)
Tetrahydrolipstatin

>  <Target> (2,757)
Lipase

>  <Form> (2,757)
Free Base

>  <URL> (2,757)
http://www.selleckchem.com/products/Orlistat(Alli).html

>  <CAS Number> (2,757)
96829-58-2

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    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
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  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> (2,758)
2758

>  <Formula> (2,758)
C5H4N4NaO+

>  <MolWeight> (2,758)
159.10123

>  <Item Name> (2,758)
Allopurinol Sodium (Aloprim)

>  <Catalog Number> (2,758)
S1631

>  <Synonyms> (2,758)
 Lopurin, Zyloprim, Aloprim

>  <Target> (2,758)
Others

>  <Form> (2,758)
Sodium Salt

>  <URL> (2,758)
http://www.selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

>  <CAS Number> (2,758)
17795-21-0

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/10101813242D

 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
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    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
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   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
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   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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  2  0  0  0  0
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  4 10  1  0  0  0  0
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 15 16  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
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 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
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 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
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 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 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> (2,759)
2759

>  <Formula> (2,759)
C31H33N3O6S

>  <MolWeight> (2,759)
575.67522

>  <Item Name> (2,759)
Zafirlukast (Accolate)

>  <Catalog Number> (2,759)
S1633

>  <Synonyms> (2,759)
Accolate, Accoleit, Vanticon

>  <Target> (2,759)
LTR

>  <Form> (2,759)
Free Base

>  <URL> (2,759)
http://www.selleckchem.com/products/Zafirlukast(Accolate).html

>  <CAS Number> (2,759)
107753-78-6

$$$$
ACHES-N-PAIN (ibuprofen).cdx
csChFnd80/10101813242D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,760)
2760

>  <Formula> (2,760)
C13H18O2

>  <MolWeight> (2,760)
206.28082

>  <Item Name> (2,760)
Ibuprofen (Advil)

>  <Catalog Number> (2,760)
S1638

>  <Synonyms> (2,760)
Brufen, Nurofen, Motrin 

>  <Target> (2,760)
COX

>  <Form> (2,760)
Free Base

>  <URL> (2,760)
http://www.selleckchem.com/products/Ibuprofen(Advil).html

>  <CAS Number> (2,760)
15687-27-1

$$$$
ALBENZA (albendazole).cdx
csChFnd80/10101813242D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7976    0.0000 S   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 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
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   11.5049    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000    2.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5976    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8 14  1  0  0  0  0
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M  END
>  <Mol_ID> (2,761)
2761

>  <Formula> (2,761)
C12H15N3O2S

>  <MolWeight> (2,761)
265.3314

>  <Item Name> (2,761)
Albendazole (Albenza)

>  <Catalog Number> (2,761)
S1640

>  <Synonyms> (2,761)
Albenza, Eskazole, Zentel, Andazol 

>  <Target> (2,761)
Microtubule Associated

>  <Form> (2,761)
Free Base

>  <URL> (2,761)
http://www.selleckchem.com/products/Albendazole(Albenza).html

>  <CAS Number> (2,761)
54965-21-8

$$$$
ALDOCLOR-250 (chlorothiazide).cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2149    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7580    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
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  7 16  2  0  0  0  0
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M  END
>  <Mol_ID> (2,762)
2762

>  <Formula> (2,762)
C7H6ClN3O4S2

>  <MolWeight> (2,762)
295.72324

>  <Item Name> (2,762)
Chlorothiazide

>  <Catalog Number> (2,762)
S1641

>  <Synonyms> (2,762)
Diuril, Chlotride

>  <Target> (2,762)
Others

>  <Form> (2,762)
Free Base

>  <URL> (2,762)
http://www.selleckchem.com/products/Chlorothiazide(Diuril).html

>  <CAS Number> (2,762)
58-94-6

$$$$
ACTIGALL (ursodiol).cdx
csChFnd80/10101813242D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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2763

>  <Formula> (2,763)
C24H40O4

>  <MolWeight> (2,763)
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>  <Item Name> (2,763)
Ursodiol (Actigal Urso)

>  <Catalog Number> (2,763)
S1643

>  <Synonyms> (2,763)
Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk, Urso Forte, Udiliv 

>  <Target> (2,763)
Others

>  <Form> (2,763)
Free Base

>  <URL> (2,763)
http://www.selleckchem.com/products/Ursodiol(Actigal).html

>  <CAS Number> (2,763)
128-13-2

$$$$
ACTIN-N (nitrofurazone).cdx
csChFnd80/10101813242D

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2764

>  <Formula> (2,764)
C6H6N4O4

>  <MolWeight> (2,764)
198.13624

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Nitrofurazone (Nitrofural)

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S1644

>  <Synonyms> (2,764)
Nitrofural, Furacilin, ACTIN-N, Otofuran 

>  <Target> (2,764)
Antifection

>  <Form> (2,764)
Free Base

>  <URL> (2,764)
http://www.selleckchem.com/products/Nitrofurazone(ACTIN-N).html

>  <CAS Number> (2,764)
59-87-0

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/10101813242D

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2765

>  <Formula> (2,765)
C16H14O3

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254.28056

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Ketoprofen (Actron)

>  <Catalog Number> (2,765)
S1645

>  <Synonyms> (2,765)
Orudis, Oruvail 

>  <Target> (2,765)
COX

>  <Form> (2,765)
Free Base

>  <URL> (2,765)
http://www.selleckchem.com/products/Ketoprofen(Actron).html

>  <CAS Number> (2,765)
22071-15-4

$$$$
Adenosine.cdx
csChFnd80/10101813242D

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2766

>  <Formula> (2,766)
C10H13N5O4

>  <MolWeight> (2,766)
267.24132

>  <Item Name> (2,766)
Adenosine (Adenocard)

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S1647

>  <Synonyms> (2,766)
Adenocard

>  <Target> (2,766)
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>  <Form> (2,766)
Free Base

>  <URL> (2,766)
http://www.selleckchem.com/products/Adenosine(Adenocard).html

>  <CAS Number> (2,766)
58-61-7

$$$$
Artemisinin.cdx
csChFnd80/10101813242D

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2767

>  <Formula> (2,767)
C15H22O5

>  <MolWeight> (2,767)
282.33218

>  <Item Name> (2,767)
Artemisinin

>  <Catalog Number> (2,767)
S1282

>  <Synonyms> (2,767)
Qinghaosu

>  <Target> (2,767)
Antifection

>  <Form> (2,767)
Free Base

>  <URL> (2,767)
http://www.selleckchem.com/products/Artemisinin.html

>  <CAS Number> (2,767)
63968-64-9

$$$$
Artesunate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,768)
2768

>  <Formula> (2,768)
C19H28O8

>  <MolWeight> (2,768)
384.42082

>  <Item Name> (2,768)
Artesunate

>  <Catalog Number> (2,768)
S2265

>  <Synonyms> (2,768)
N/A

>  <Target> (2,768)
STAT

>  <Form> (2,768)
Free Base

>  <URL> (2,768)
http://www.selleckchem.com/products/Artesunate.html

>  <CAS Number> (2,768)
88495-63-0

$$$$
AT101.cdx
csChFnd80/10101813242D

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M  CFW  18 BOND_GSTEREO 5
M  END
>  <Mol_ID> (2,769)
2769

>  <Formula> (2,769)
C32H34O10

>  <MolWeight> (2,769)
578.60636

>  <Item Name> (2,769)
AT101

>  <Catalog Number> (2,769)
S2812

>  <Synonyms> (2,769)
N/A

>  <Target> (2,769)
Bcl-2

>  <Form> (2,769)
Free Base

>  <URL> (2,769)
http://www.selleckchem.com/products/at101.html

>  <CAS Number> (2,769)
866541-93-7

$$$$
ZOMIG (zolmitriptan).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,770)
2770

>  <Formula> (2,770)
C16H21N3O2

>  <MolWeight> (2,770)
287.35684

>  <Item Name> (2,770)
Zolmitriptan (Zomig)

>  <Catalog Number> (2,770)
S1649

>  <Synonyms> (2,770)
Zomig, Zomigon, AscoTopand, Zomigoro 

>  <Target> (2,770)
5-HT Receptor

>  <Form> (2,770)
Free Base

>  <URL> (2,770)
http://www.selleckchem.com/products/Zolmitriptan(Zomig).html

>  <CAS Number> (2,770)
139264-17-8

$$$$
TYZEKA (telbivudine).cdx
csChFnd80/10101813242D

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2771

>  <Formula> (2,771)
C10H14N2O5

>  <MolWeight> (2,771)
242.22856

>  <Item Name> (2,771)
Telbivudine (Sebivo, Tyzeka)

>  <Catalog Number> (2,771)
S1651

>  <Synonyms> (2,771)
N/A

>  <Target> (2,771)
Reverse Transcriptase

>  <Form> (2,771)
Free Base

>  <URL> (2,771)
http://www.selleckchem.com/products/Telbivudine(Sebivo).html

>  <CAS Number> (2,771)
3424-98-4

$$$$
BENOQUIN (monobenzone).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,772)
2772

>  <Formula> (2,772)
C13H12O2

>  <MolWeight> (2,772)
200.23318

>  <Item Name> (2,772)
Monobenzone (Benoquin)

>  <Catalog Number> (2,772)
S1652

>  <Synonyms> (2,772)
Benoquin

>  <Target> (2,772)
Tyrosinase

>  <Form> (2,772)
Free Base

>  <URL> (2,772)
http://www.selleckchem.com/products/Monobenzone(Benoquin).html

>  <CAS Number> (2,772)
103-16-2

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,773)
2773

>  <Formula> (2,773)
C20H28O2

>  <MolWeight> (2,773)
300.43512

>  <Item Name> (2,773)
All-trans Retinoic Acid (Tretinoin)

>  <Catalog Number> (2,773)
S1653

>  <Synonyms> (2,773)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (2,773)
Retinoid Receptor

>  <Form> (2,773)
Free Base

>  <URL> (2,773)
http://www.selleckchem.com/products/Tretinoin(Aberela).html

>  <CAS Number> (2,773)
302-79-4

$$$$
AZOLID (phenylbutazone).cdx
csChFnd80/10101813242D

 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
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    2.4116    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 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> (2,774)
2774

>  <Formula> (2,774)
C19H20N2O2

>  <MolWeight> (2,774)
308.3743

>  <Item Name> (2,774)
Phenylbutazone (Butazolidin, Butatron)

>  <Catalog Number> (2,774)
S1654

>  <Synonyms> (2,774)
Bute, Butazolidin, Butatron 

>  <Target> (2,774)
COX

>  <Form> (2,774)
Free Base

>  <URL> (2,774)
http://www.selleckchem.com/products/Phenylbutazone(Butazolidin).html

>  <CAS Number> (2,774)
50-33-9

$$$$
EZETIMIBE (ezetimibe).cdx
csChFnd80/10101813242D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1049    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  1  0  0  0  0
  8 15  1  1  0  0  0
 11 10  1  6  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,775)
2775

>  <Formula> (2,775)
C24H21F2NO3

>  <MolWeight> (2,775)
409.4252464

>  <Item Name> (2,775)
Ezetimibe (Zetia)

>  <Catalog Number> (2,775)
S1655

>  <Synonyms> (2,775)
Zetia, Ezetrol

>  <Target> (2,775)
Others

>  <Form> (2,775)
Free Base

>  <URL> (2,775)
http://www.selleckchem.com/products/Ezetimibe(Zetia).html

>  <CAS Number> (2,775)
163222-33-1

$$$$
TIKOSYN (dofetilide).cdx
csChFnd80/10101813242D

 29 30  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 S   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
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    0.2183    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3031    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.3426    3.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
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  5 12  1  0  0  0  0
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 25 26  1  0  0  0  0
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 26 28  2  0  0  0  0
 26 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,776)
2776

>  <Formula> (2,776)
C19H27N3O5S2

>  <MolWeight> (2,776)
441.56478

>  <Item Name> (2,776)
Dofetilide (Tikosyn)

>  <Catalog Number> (2,776)
S1658

>  <Synonyms> (2,776)
Tikosyn, UK68798

>  <Target> (2,776)
Potassium Channel

>  <Form> (2,776)
Free Base

>  <URL> (2,776)
http://www.selleckchem.com/products/Dofetilide(Tikosyn).html

>  <CAS Number> (2,776)
115256-11-6

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    2.4165    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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  6  1  2  0  0  0  0
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M  END
>  <Mol_ID> (2,777)
2777

>  <Formula> (2,777)
C19H21N3O5

>  <MolWeight> (2,777)
371.38714

>  <Item Name> (2,777)
Isradipine (Dynacirc)

>  <Catalog Number> (2,777)
S1662

>  <Synonyms> (2,777)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin 

>  <Target> (2,777)
Calcium Channel

>  <Form> (2,777)
Free Base

>  <URL> (2,777)
http://www.selleckchem.com/products/Isradipine(Dynacirc).html

>  <CAS Number> (2,777)
75695-93-1

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/10101813242D

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    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  0  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
    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
    6.0580    3.5000    0.0000 H   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
    9.0330    5.9595    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 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  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,778)
2778

>  <Formula> (2,778)
C18H22O2

>  <MolWeight> (2,778)
270.36608

>  <Item Name> (2,778)
Estrone

>  <Catalog Number> (2,778)
S1665

>  <Synonyms> (2,778)
Oestrone

>  <Target> (2,778)
Estrogen/progestogen Receptor

>  <Form> (2,778)
Free Base

>  <URL> (2,778)
http://www.selleckchem.com/products/Estrone.html

>  <CAS Number> (2,778)
53-16-7 

$$$$
ANCOBON (flucytosine).cdx
csChFnd80/10101813242D

  9  9  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    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  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  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,779)
2779

>  <Formula> (2,779)
C4H4FN3O

>  <MolWeight> (2,779)
129.0924632

>  <Item Name> (2,779)
Flucytosine (Ancobon)

>  <Catalog Number> (2,779)
S1666

>  <Synonyms> (2,779)
5-fluorocytosine, Ancotil

>  <Target> (2,779)
Antifection

>  <Form> (2,779)
Free Base

>  <URL> (2,779)
http://www.selleckchem.com/products/Flucytosine(Ancobon).html

>  <CAS Number> (2,779)
2022-85-7

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/10101813242D

 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
    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
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441    5.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9306    6.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    6.0580    3.5000    0.0000 H   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
    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
    7.5114    8.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  3  4  2  0  0  0  0
  4  5  1  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
  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
 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
 31 32  1  0  0  0  0
 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> (2,780)
2780

>  <Formula> (2,780)
C24H31ClO7

>  <MolWeight> (2,780)
466.95174

>  <Item Name> (2,780)
Loteprednol etabonate

>  <Catalog Number> (2,780)
S1669

>  <Synonyms> (2,780)
Alrex, Lotemax

>  <Target> (2,780)
Glucocorticoid Receptor

>  <Form> (2,780)
Free Base

>  <URL> (2,780)
http://www.selleckchem.com/products/Loteprednol-etabonate.html

>  <CAS Number> (2,780)
82034-46-6

$$$$
AMINOCAPROIC ACID (aminocaproic acid).cdx
csChFnd80/10101813242D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,781)
2781

>  <Formula> (2,781)
C6H13NO2

>  <MolWeight> (2,781)
131.17292

>  <Item Name> (2,781)
£¨6-£©¦Å-Aminocaproic acid 

>  <Catalog Number> (2,781)
S1671

>  <Synonyms> (2,781)
Amicar, ¦Å-amino caproic acid, ¦Å-Ahx, 6-aminohexanoic acid

>  <Target> (2,781)
Others

>  <Form> (2,781)
Free Base

>  <URL> (2,781)
http://www.selleckchem.com/products/Aminocaproic-acid(Amicar).html

>  <CAS Number> (2,781)
60-32-2

$$$$
Pregnenolone.cdx
csChFnd80/10101813242D

 26 29  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  1  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  0  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
    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
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    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
  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
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  4  7  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 22 23  2  0  0  0  0
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 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
M  END
>  <Mol_ID> (2,782)
2782

>  <Formula> (2,782)
C21H32O2

>  <MolWeight> (2,782)
316.47758

>  <Item Name> (2,782)
Pregnenolone

>  <Catalog Number> (2,782)
S1914

>  <Synonyms> (2,782)
N/A

>  <Target> (2,782)
Estrogen/progestogen Receptor

>  <Form> (2,782)
Free Base

>  <URL> (2,782)
http://www.selleckchem.com/products/pregnenolone.html

>  <CAS Number> (2,782)
145-13-1

$$$$
AMINOPHYLLINE (aminophylline).cdx
csChFnd80/10101813242D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.7540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1747    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3829    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    7.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    9.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    7.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    6.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    9.1559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    8.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6805   -0.0971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6427    2.4322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    3.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   -1.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  2  0  0  0  0
 20 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,783)
2783

>  <Formula> (2,783)
C16H24N10O4

>  <MolWeight> (2,783)
420.42636

>  <Item Name> (2,783)
Aminophylline (Truphylline)

>  <Catalog Number> (2,783)
S1673

>  <Synonyms> (2,783)
Somopphyllin, Aminocadol, Phyllocontin 

>  <Target> (2,783)
PDE

>  <Form> (2,783)
Ethylenediamine

>  <URL> (2,783)
http://www.selleckchem.com/products/Aminophylline(Truphylline).html

>  <CAS Number> (2,783)
317-34-0 

$$$$
Amorolfine Hydrochloride.cdx
csChFnd80/10101813242D

 24 24  0  0  0  0  0  0  0  0999 V2000
    3.6289    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7207    1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5198    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 17  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 20 22  1  1  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (2,784)
2784

>  <Formula> (2,784)
C21H36ClNO

>  <MolWeight> (2,784)
353.96964

>  <Item Name> (2,784)
Amorolfine Hydrochloride

>  <Catalog Number> (2,784)
S1676

>  <Synonyms> (2,784)
Amorolfin, Curanail, Loceryl, Locetar, Odenil 

>  <Target> (2,784)
Antifection

>  <Form> (2,784)
Hydrochloride

>  <URL> (2,784)
http://www.selleckchem.com/products/Amorolfine-Hydrochloride.html

>  <CAS Number> (2,784)
78613-38-4

$$$$
AMPHICOL (chloramphenicol).cdx
csChFnd80/10101813242D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4024    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2873    3.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2873    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    5.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  1  0  0  0  0
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 15 17  1  0  0  0  0
 10 18  1  1  0  0  0
 11 19  1  1  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,785)
2785

>  <Formula> (2,785)
C11H12Cl2N2O5

>  <MolWeight> (2,785)
323.12938

>  <Item Name> (2,785)
Chloramphenicol (Chloromycetin)

>  <Catalog Number> (2,785)
S1677

>  <Synonyms> (2,785)
Alficetyn, Chlornitromycin, Chloromycetin 

>  <Target> (2,785)
Antifection

>  <Form> (2,785)
Free Base

>  <URL> (2,785)
http://www.selleckchem.com/products/Chloramphenicol(Chloromycetin).html

>  <CAS Number> (2,785)
56-75-7

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/10101813242D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9161    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,786)
2786

>  <Formula> (2,786)
C10H20N2S4

>  <MolWeight> (2,786)
296.5392

>  <Item Name> (2,786)
Disulfiram (Antabuse)

>  <Catalog Number> (2,786)
S1680

>  <Synonyms> (2,786)
Antabuse, Antabus

>  <Target> (2,786)
Dehydrogenase

>  <Form> (2,786)
Free Base

>  <URL> (2,786)
http://www.selleckchem.com/products/Disulfiram(Antabuse).html

>  <CAS Number> (2,786)
97-77-8

$$$$
APRISO (mesalamine).cdx
csChFnd80/10101813242D

 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
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  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> (2,787)
2787

>  <Formula> (2,787)
C7H7NO3

>  <MolWeight> (2,787)
153.13538

>  <Item Name> (2,787)
Mesalamine (Lialda)

>  <Catalog Number> (2,787)
S1681

>  <Synonyms> (2,787)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (2,787)
I¦ÊB/IKK

>  <Form> (2,787)
Free Base

>  <URL> (2,787)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

>  <CAS Number> (2,787)
89-57-6

$$$$
ATROVENT HFA (ipratropium bromide).cdx
csChFnd80/10101813242D

 25 26  0  0  0  0  0  0  0  0999 V2000
    5.0421    9.6192    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.3523    5.0254    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0495    4.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6477    5.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3523    7.7893    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    3.2163    5.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    4.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    8.8320    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  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  5  7  1  0  0  0  0
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  2  9  1  0  0  0  0
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  6 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  6  0  0  0
 14 15  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
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 18 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,788)
2788

>  <Formula> (2,788)
C20H30BrNO3

>  <MolWeight> (2,788)
412.3611

>  <Item Name> (2,788)
Ipratropium bromide

>  <Catalog Number> (2,788)
S1683

>  <Synonyms> (2,788)
Atrovent, Apovent, Aerovent

>  <Target> (2,788)
AChR

>  <Form> (2,788)
Bromide

>  <URL> (2,788)
http://www.selleckchem.com/products/Ipratropium-bromide.html

>  <CAS Number> (2,788)
22254-24-6

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/10101813242D

 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
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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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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    9.4248    3.5000    0.0000 C   0  0  1  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
   10.8199    3.5000    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
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9394    5.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    6.2480    0.0000 O   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
  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
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 17 26  1  6  0  0  0
 17 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,789)
2789

>  <Formula> (2,789)
C22H28O5

>  <MolWeight> (2,789)
372.45472

>  <Item Name> (2,789)
Betapar (Meprednisone)

>  <Catalog Number> (2,789)
S1689

>  <Synonyms> (2,789)
Betanisona

>  <Target> (2,789)
Glucocorticoid Receptor

>  <Form> (2,789)
Free Base

>  <URL> (2,789)
http://www.selleckchem.com/products/Betapar(Meprednisone).html

>  <CAS Number> (2,789)
1247-42-3

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/10101813242D

 36 39  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  1  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
   10.8199    3.5000    0.0000 C   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
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5771    6.6138    0.0000 O   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
   11.2143    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6043    6.3226    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
   14.5942    7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9942    7.3125    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
  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
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 17 28  1  6  0  0  0
 28 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
 10 33  1  6  0  0  0
 11 34  1  6  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (2,790)
2790

>  <Formula> (2,790)
C27H37FO6

>  <MolWeight> (2,790)
476.5774832

>  <Item Name> (2,790)
Betamethasone valerate (Betnovate)

>  <Catalog Number> (2,790)
S1690

>  <Synonyms> (2,790)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (2,790)
Glucocorticoid Receptor

>  <Form> (2,790)
Free Base

>  <URL> (2,790)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

>  <CAS Number> (2,790)
2152-44-5 

$$$$
BILTRICIDE (praziquantel).cdx
csChFnd80/10101813242D

 23 26  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
    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
    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
    3.6373    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
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  3  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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  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  2  0  0  0  0
 13 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 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,791)
2791

>  <Formula> (2,791)
C19H24N2O2

>  <MolWeight> (2,791)
312.40606

>  <Item Name> (2,791)
Praziquantel (Biltricide)

>  <Catalog Number> (2,791)
S1691

>  <Synonyms> (2,791)
Droncit

>  <Target> (2,791)
Antifection

>  <Form> (2,791)
Free Base

>  <URL> (2,791)
http://www.selleckchem.com/products/Praziquantel(Biltricide).html

>  <CAS Number> (2,791)
55268-74-1

$$$$
BUSULFEX (busulfan).cdx
csChFnd80/10101813242D

 14 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    1.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    1.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0013    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4061    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  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
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,792)
2792

>  <Formula> (2,792)
C6H14O6S2

>  <MolWeight> (2,792)
246.30176

>  <Item Name> (2,792)
Busulfan (Myleran, Busulfex)

>  <Catalog Number> (2,792)
S1692

>  <Synonyms> (2,792)
Myleran, Busulfex

>  <Target> (2,792)
NULL

>  <Form> (2,792)
Free Base

>  <URL> (2,792)
http://www.selleckchem.com/products/Busulfan(Busulfex).html

>  <CAS Number> (2,792)
55-98-1

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/10101813242D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  7  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  8  1  0  0  0  0
  3 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  4  1  0  0  0  0
  2 17  2  0  0  0  0
  2 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,793)
2793

>  <Formula> (2,793)
C15H12N2O

>  <MolWeight> (2,793)
236.26858

>  <Item Name> (2,793)
Carbamazepine (Carbatrol)

>  <Catalog Number> (2,793)
S1693

>  <Synonyms> (2,793)
Equetro, Tegretol, Biston 

>  <Target> (2,793)
Autophagy,Sodium Channel

>  <Form> (2,793)
Free Base

>  <URL> (2,793)
http://www.selleckchem.com/products/Carbamazepine(Carbatrol).html

>  <CAS Number> (2,793)
298-46-4

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/10101813242D

 29 32  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
    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
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8288    7.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 15  1  0  0  0  0
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  2 18  2  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  1  0  0  0  0
 17 29  1  6  0  0  0
M  END
>  <Mol_ID> (2,794)
2794

>  <Formula> (2,794)
C21H30O5

>  <MolWeight> (2,794)
362.4599

>  <Item Name> (2,794)
Hydrocortisone (Cortisol)

>  <Catalog Number> (2,794)
S1696

>  <Synonyms> (2,794)
Cortisol

>  <Target> (2,794)
Glucocorticoid Receptor

>  <Form> (2,794)
Free Base

>  <URL> (2,794)
http://www.selleckchem.com/products/Hydrocortisone.html

>  <CAS Number> (2,794)
50-23-7

$$$$
DESOWEN (desonide).cdx
csChFnd80/10101813242D

 34 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
    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  1  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
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   11.1186    6.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
   10.1248    2.2876    0.0000 H   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671    8.3272    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
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  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
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 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 14 26  1  1  0  0  0
 12 27  1  1  0  0  0
 16 28  1  1  0  0  0
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 17 31  1  1  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (2,795)
2795

>  <Formula> (2,795)
C24H32O6

>  <MolWeight> (2,795)
416.50728

>  <Item Name> (2,795)
Desonide

>  <Catalog Number> (2,795)
S1701

>  <Synonyms> (2,795)
Locapred, Topifug, Tridesilon

>  <Target> (2,795)
Glucocorticoid Receptor

>  <Form> (2,795)
Free Base

>  <URL> (2,795)
http://www.selleckchem.com/products/Desonide.html

>  <CAS Number> (2,795)
638-94-8

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/10101813242D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4032    4.1388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4032    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    3.4388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7347    4.5714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    4.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    4.1388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4846    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    0.4326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1475    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4744    2.2332    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  1  1  0  0  0  0
  1  6  1  1  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  2  0  0  0  0
 12  8  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  1  0  0  0  0
 16 17  2  0  0  0  0
  4  8  1  1  0  0  0
M  END
>  <Mol_ID> (2,796)
2796

>  <Formula> (2,796)
C10H12N4O3

>  <MolWeight> (2,796)
236.22728

>  <Item Name> (2,796)
Didanosine (Videx)

>  <Catalog Number> (2,796)
S1702

>  <Synonyms> (2,796)
Videx EC 

>  <Target> (2,796)
NULL

>  <Form> (2,796)
Free Base

>  <URL> (2,796)
http://www.selleckchem.com/products/Didanosine(Videx).html

>  <CAS Number> (2,796)
69655-05-6

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/10101813242D

 21 18  0  0  0  0  0  0  0  0999 V2000
    2.7976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   16.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   13.2726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5107    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8951   15.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
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 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,797)
2797

>  <Formula> (2,797)
C16H31NaO4

>  <MolWeight> (2,797)
310.40471

>  <Item Name> (2,797)
Divalproex sodium

>  <Catalog Number> (2,797)
S1703

>  <Synonyms> (2,797)
Depakote, Epival

>  <Target> (2,797)
HDAC

>  <Form> (2,797)
Sodium Salt

>  <URL> (2,797)
http://www.selleckchem.com/products/Divalproex-sodium.html

>  <CAS Number> (2,797)
76584-70-8

$$$$
ENDOMETRIN (progesterone).cdx
csChFnd80/10101813242D

 26 29  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  0  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
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    1.4125    0.0000 H   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
    7.4162    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3853    6.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0727    6.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  5 21  1  1  0  0  0
  9 22  1  1  0  0  0
 12 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,798)
2798

>  <Formula> (2,798)
C21H30O2

>  <MolWeight> (2,798)
314.4617

>  <Item Name> (2,798)
Progesterone (Prometrium)

>  <Catalog Number> (2,798)
S1705

>  <Synonyms> (2,798)
Prometrium, Agolutin, Corlutin

>  <Target> (2,798)
Estrogen/progestogen Receptor

>  <Form> (2,798)
Free Base

>  <URL> (2,798)
http://www.selleckchem.com/products/Progesterone(Prometrium).html

>  <CAS Number> (2,798)
57-83-0

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/10101813242D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   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 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
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,799)
2799

>  <Formula> (2,799)
C8H11N3O3S

>  <MolWeight> (2,799)
229.25624

>  <Item Name> (2,799)
Lamivudine (Epivir)

>  <Catalog Number> (2,799)
S1706

>  <Synonyms> (2,799)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV 

>  <Target> (2,799)
Reverse Transcriptase

>  <Form> (2,799)
Free Base

>  <URL> (2,799)
http://www.selleckchem.com/products/Lamivudine(Epivir).html

>  <CAS Number> (2,799)
134678-17-4

$$$$
estradiol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,800)
2800

>  <Formula> (2,800)
C18H24O2

>  <MolWeight> (2,800)
272.38196

>  <Item Name> (2,800)
Estradiol

>  <Catalog Number> (2,800)
S1709

>  <Synonyms> (2,800)
17¦Â-estradiol, oestradiol, 17¦Â-Oestradiol, ¦Â-Estradiol 

>  <Target> (2,800)
Estrogen/progestogen Receptor

>  <Form> (2,800)
Free Base

>  <URL> (2,800)
http://www.selleckchem.com/products/Estradiol.html

>  <CAS Number> (2,800)
50-28-2

$$$$
EXJADE (deferasirox).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,801)
2801

>  <Formula> (2,801)
C21H15N3O4

>  <MolWeight> (2,801)
373.3615

>  <Item Name> (2,801)
Deferasirox (Exjade)

>  <Catalog Number> (2,801)
S1712

>  <Synonyms> (2,801)
Exjade, ICL-670, ICL-670A, CGP-72670 

>  <Target> (2,801)
P450 (e.g. CYP17)

>  <Form> (2,801)
Free Base

>  <URL> (2,801)
http://www.selleckchem.com/products/Deferasirox(Exjade).html

>  <CAS Number> (2,801)
201530-41-8

$$$$
DCC-2036.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,802)
2802

>  <Formula> (2,802)
C30H28FN7O3

>  <MolWeight> (2,802)
553.5868232

>  <Item Name> (2,802)
DCC-2036 (Rebastinib)

>  <Catalog Number> (2,802)
S2634

>  <Synonyms> (2,802)
N/A 

>  <Target> (2,802)
Bcr-Abl

>  <Form> (2,802)
Free Base

>  <URL> (2,802)
http://www.selleckchem.com/products/dcc-2036.html

>  <CAS Number> (2,802)
1020172-07-9

$$$$
FELDENE (piroxicam).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,803)
2803

>  <Formula> (2,803)
C15H13N3O4S

>  <MolWeight> (2,803)
331.34642

>  <Item Name> (2,803)
Piroxicam (Feldene)

>  <Catalog Number> (2,803)
S1713

>  <Synonyms> (2,803)
Roxam

>  <Target> (2,803)
COX 

>  <Form> (2,803)
Free Base

>  <URL> (2,803)
http://www.selleckchem.com/products/Piroxicam(Feldene).html

>  <CAS Number> (2,803)
36322-90-4

$$$$
GLIPIZIDE (glipizide).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,804)
2804

>  <Formula> (2,804)
C21H27N5O4S

>  <MolWeight> (2,804)
445.53518

>  <Item Name> (2,804)
Glipizide (Glucotrol)

>  <Catalog Number> (2,804)
S1715

>  <Synonyms> (2,804)
Glucotrol XL 

>  <Target> (2,804)
Others

>  <Form> (2,804)
Free Base

>  <URL> (2,804)
http://www.selleckchem.com/products/Glipizide(Glucotrol).html

>  <CAS Number> (2,804)
29094-61-9

$$$$
GLYBURIDE (glyburide).cdx
csChFnd80/10101813242D

 33 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,805)
2805

>  <Formula> (2,805)
C23H28ClN3O5S

>  <MolWeight> (2,805)
494.00352

>  <Item Name> (2,805)
Glyburide (Glibenclamide)

>  <Catalog Number> (2,805)
S1716

>  <Synonyms> (2,805)
Glibenclamide, Glycron, Glynase, Micronase, Daonil, Semi-Daonil, Euglucon, Delmide 

>  <Target> (2,805)
Potassium Channel

>  <Form> (2,805)
Free Base

>  <URL> (2,805)
http://www.selleckchem.com/products/Glyburide(Diabeta).html

>  <CAS Number> (2,805)
10238-21-8 

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/10101813242D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,806)
2806

>  <Formula> (2,806)
C20H32N5O8P

>  <MolWeight> (2,806)
501.470541

>  <Item Name> (2,806)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Catalog Number> (2,806)
S1718

>  <Synonyms> (2,806)
Bis-POM PMEA, Preveon, Hepsera 

>  <Target> (2,806)
Reverse Transcriptase

>  <Form> (2,806)
Free Base

>  <URL> (2,806)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

>  <CAS Number> (2,806)
142340-99-6

$$$$
HIVID (zalcitabine).cdx
csChFnd80/10101813242D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,807)
2807

>  <Formula> (2,807)
C9H13N3O3

>  <MolWeight> (2,807)
211.21782

>  <Item Name> (2,807)
Zalcitabine

>  <Catalog Number> (2,807)
S1719

>  <Synonyms> (2,807)
Hivid, Dideoxycytidine 

>  <Target> (2,807)
Reverse Transcriptase

>  <Form> (2,807)
Free Base

>  <URL> (2,807)
http://www.selleckchem.com/products/Zalcitabine.html

>  <CAS Number> (2,807)
7481-89-2

$$$$
IMURAN (azathioprine).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,808)
2808

>  <Formula> (2,808)
C9H7N7O2S

>  <MolWeight> (2,808)
277.26258

>  <Item Name> (2,808)
Azathioprine (Azasan, Imuran)

>  <Catalog Number> (2,808)
S1721

>  <Synonyms> (2,808)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (2,808)
Rho

>  <Form> (2,808)
Free Base

>  <URL> (2,808)
http://www.selleckchem.com/products/Azathioprine(Azasan).html

>  <CAS Number> (2,808)
446-86-6

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,809)
2809

>  <Formula> (2,809)
C19H16ClNO4

>  <MolWeight> (2,809)
357.78764

>  <Item Name> (2,809)
Indomethacin (Indocid, Indocin)

>  <Catalog Number> (2,809)
S1723

>  <Synonyms> (2,809)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (2,809)
COX

>  <Form> (2,809)
Free Base

>  <URL> (2,809)
http://www.selleckchem.com/products/Indomethacin(Indocid).html

>  <CAS Number> (2,809)
53-86-1

$$$$
Levonorgestrel.cdx
csChFnd80/10101813242D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,810)
2810

>  <Formula> (2,810)
C21H28O2

>  <MolWeight> (2,810)
312.44582

>  <Item Name> (2,810)
Levonorgestrel (Levonelle)

>  <Catalog Number> (2,810)
S1727

>  <Synonyms> (2,810)
Levonelle, D-Norgestrel, Levonova

>  <Target> (2,810)
Estrogen/progestogen Receptor

>  <Form> (2,810)
Free Base

>  <URL> (2,810)
http://www.selleckchem.com/products/Levonorgestrel(Levonelle).html

>  <CAS Number> (2,810)
797-63-7

$$$$
LOPID (gemfibrozil).cdx
csChFnd80/10101813242D

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    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (2,811)
2811

>  <Formula> (2,811)
C15H22O3

>  <MolWeight> (2,811)
250.33338

>  <Item Name> (2,811)
Gemfibrozil (Lopid)

>  <Catalog Number> (2,811)
S1729

>  <Synonyms> (2,811)
Gemcor, Lopid, Jezil, Gen-Fibro

>  <Target> (2,811)
PPAR

>  <Form> (2,811)
Free Base

>  <URL> (2,811)
http://www.selleckchem.com/products/Gemfibrozil(Lopid).html

>  <CAS Number> (2,811)
25812-30-0

$$$$
LOZOL (indapamide).cdx
csChFnd80/10101813242D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,812)
2812

>  <Formula> (2,812)
C16H16ClN3O3S

>  <MolWeight> (2,812)
365.83454

>  <Item Name> (2,812)
Indapamide (Lozol)

>  <Catalog Number> (2,812)
S1730

>  <Synonyms> (2,812)
Arifon, Fludex, Noranat, Veroxil, Tertensif

>  <Target> (2,812)
Others

>  <Form> (2,812)
Free Base

>  <URL> (2,812)
http://www.selleckchem.com/products/Indapamide(Lozol).html

>  <CAS Number> (2,812)
26807-65-8

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/10101813242D

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    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3876    6.6547    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
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
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 14 21  1  1  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> (2,813)
2813

>  <Formula> (2,813)
C22H30O5

>  <MolWeight> (2,813)
374.4706

>  <Item Name> (2,813)
Methylprednisolone

>  <Catalog Number> (2,813)
S1733

>  <Synonyms> (2,813)
Medrol, Solu-Medrol, Medrone

>  <Target> (2,813)
Glucocorticoid Receptor

>  <Form> (2,813)
Free Base

>  <URL> (2,813)
http://www.selleckchem.com/products/Methylprednisolone.html

>  <CAS Number> (2,813)
83-43-2

$$$$
MELOXICAM (meloxicam).cdx
csChFnd80/10101813242D

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    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
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   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
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 10  5  1  0  0  0  0
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  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
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 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> (2,814)
2814

>  <Formula> (2,814)
C14H13N3O4S2

>  <MolWeight> (2,814)
351.40072

>  <Item Name> (2,814)
Meloxicam (Mobic)

>  <Catalog Number> (2,814)
S1734

>  <Synonyms> (2,814)
Metacam, Parocin 

>  <Target> (2,814)
COX

>  <Form> (2,814)
Free Base

>  <URL> (2,814)
http://www.selleckchem.com/products/Meloxicam(Mobic).html

>  <CAS Number> (2,814)
71125-38-7

$$$$
Mesna.cdx
csChFnd80/10101813242D

  8  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.6976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,815)
2815

>  <Formula> (2,815)
C2H5NaO3S2

>  <MolWeight> (2,815)
164.17907

>  <Item Name> (2,815)
Mesna (Uromitexan, Mesnex)

>  <Catalog Number> (2,815)
S1735

>  <Synonyms> (2,815)
Uromitexan, Mesnex

>  <Target> (2,815)
Others

>  <Form> (2,815)
Sodium Salt

>  <URL> (2,815)
http://www.selleckchem.com/products/Mesna(Uromitexan).html

>  <CAS Number> (2,815)
19767-45-4

$$$$
METHOCARBAMOL (methocarbamol).cdx
csChFnd80/10101813242D

 17 17  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
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    7.0122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    7.0122    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,816)
2816

>  <Formula> (2,816)
C11H15NO5

>  <MolWeight> (2,816)
241.2405

>  <Item Name> (2,816)
Methocarbamol (Robaxin)

>  <Catalog Number> (2,816)
S1736

>  <Synonyms> (2,816)
Robaxin

>  <Target> (2,816)
Carbonic Anhydrase

>  <Form> (2,816)
Free Base

>  <URL> (2,816)
http://www.selleckchem.com/products/Methocarbamol(Robaxin).html

>  <CAS Number> (2,816)
532-03-6

$$$$
MICARDIS (telmisartan).cdx
csChFnd80/10101813242D

 39 44  0  0  0  0  0  0  0  0999 V2000
    2.4165   11.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   10.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289   12.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    9.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1633   11.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8994   10.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2460    7.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 31 34  1  0  0  0  0
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 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 30 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
>  <Mol_ID> (2,817)
2817

>  <Formula> (2,817)
C33H30N4O2

>  <MolWeight> (2,817)
514.6169

>  <Item Name> (2,817)
Telmisartan (Micardis)

>  <Catalog Number> (2,817)
S1738

>  <Synonyms> (2,817)
Targit

>  <Target> (2,817)
RAAS

>  <Form> (2,817)
Free Base

>  <URL> (2,817)
http://www.selleckchem.com/products/Telmisartan(Micardis).html

>  <CAS Number> (2,817)
144701-48-4

$$$$
MINTEZOL (thiabendazole).cdx
csChFnd80/10101813242D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.7000    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4756    2.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1756    3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2388    4.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599    4.2876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5450    4.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9776    5.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    6.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714    6.1885    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  1  0  0  0  0
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  5  1  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
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 14  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,818)
2818

>  <Formula> (2,818)
C10H7N3S

>  <MolWeight> (2,818)
201.24768

>  <Item Name> (2,818)
Thiabendazole

>  <Catalog Number> (2,818)
S1739

>  <Synonyms> (2,818)
Mintezol, Equizole

>  <Target> (2,818)
P450 (e.g. CYP17)

>  <Form> (2,818)
Free Base

>  <URL> (2,818)
http://www.selleckchem.com/products/Thiabendazole.html

>  <CAS Number> (2,818)
148-79-8

$$$$
MUCINEX (guaifenesin).cdx
csChFnd80/10101813242D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2578    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,819)
2819

>  <Formula> (2,819)
C10H14O4

>  <MolWeight> (2,819)
198.21576

>  <Item Name> (2,819)
Guaifenesin (Guaiphenesin)

>  <Catalog Number> (2,819)
S1740

>  <Synonyms> (2,819)
Guaiphenesin, Glyceryl guaiacolate

>  <Target> (2,819)
Others

>  <Form> (2,819)
Free Base

>  <URL> (2,819)
http://www.selleckchem.com/products/Guaifenesin(Guaiphenesin).html

>  <CAS Number> (2,819)
93-14-1

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/10101813242D

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0263    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  8  1  0  0  0  0
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  6 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
>  <Mol_ID> (2,820)
2820

>  <Formula> (2,820)
C15H14N4O

>  <MolWeight> (2,820)
266.29786

>  <Item Name> (2,820)
Nevirapine (Viramune)

>  <Catalog Number> (2,820)
S1742

>  <Synonyms> (2,820)
Viramune, BI-RG 587

>  <Target> (2,820)
Reverse Transcriptase

>  <Form> (2,820)
Free Base

>  <URL> (2,820)
http://www.selleckchem.com/products/Nevirapine(Viramune).html

>  <CAS Number> (2,820)
129618-40-2

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/10101813242D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    5.6073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0664    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3452    5.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 11 13  1  0  0  0  0
  5 16  1  0  0  0  0
  1 17  1  0  0  0  0
  4 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
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 18 24  2  0  0  0  0
  2 25  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,821)
2821

>  <Formula> (2,821)
C21H26N2O7

>  <MolWeight> (2,821)
418.44034

>  <Item Name> (2,821)
Nimodipine (Nimotop)

>  <Catalog Number> (2,821)
S1747

>  <Synonyms> (2,821)
Nimotop

>  <Target> (2,821)
Autophagy,Calcium Channel

>  <Form> (2,821)
Free Base

>  <URL> (2,821)
http://www.selleckchem.com/products/Nimodipine(Nimotop).html

>  <CAS Number> (2,821)
66085-59-4

$$$$
Pitavastatin calcium.cdx
csChFnd80/10101813242D

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    9.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8297    9.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (2,822)
2822

>  <Formula> (2,822)
C50H46CaF2N2O8

>  <MolWeight> (2,822)
880.9836464

>  <Item Name> (2,822)
Pitavastatin calcium (Livalo)

>  <Catalog Number> (2,822)
S1759

>  <Synonyms> (2,822)
Livalo

>  <Target> (2,822)
HMG-CoA Reductase

>  <Form> (2,822)
Calcium salt

>  <URL> (2,822)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

>  <CAS Number> (2,822)
147526-32-7

$$$$
PYRAZINAMIDE (pyrazinamide).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,823)
2823

>  <Formula> (2,823)
C5H5N3O

>  <MolWeight> (2,823)
123.1127

>  <Item Name> (2,823)
Pyrazinamide (Pyrazinoic acid amide)

>  <Catalog Number> (2,823)
S1762

>  <Synonyms> (2,823)
Pezetamid, Pyrafat, Zinamide, Tebrazid, Pyrafat 

>  <Target> (2,823)
Antifection

>  <Form> (2,823)
Free Base

>  <URL> (2,823)
http://www.selleckchem.com/products/Pyrazinamide(Pyrazinoic-acid-amide).html

>  <CAS Number> (2,823)
98-96-4

$$$$
QUETIAPINE FUMARATE (quetiapine fumarate).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,824)
2824

>  <Formula> (2,824)
C46H54N6O8S2

>  <MolWeight> (2,824)
883.08636

>  <Item Name> (2,824)
Quetiapine fumarate (Seroquel)

>  <Catalog Number> (2,824)
S1763

>  <Synonyms> (2,824)
ICI-204636, ZD 5077, ZM 204636, Seroquel XR 

>  <Target> (2,824)
Dopamine Receptor

>  <Form> (2,824)
Fumarate

>  <URL> (2,824)
http://www.selleckchem.com/products/Quetiapine-fumarate(Seroquel).html

>  <CAS Number> (2,824)
111974-72-2

$$$$
SPECTRACEF (cefditoren pivoxil).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,825)
2825

>  <Formula> (2,825)
C25H28N6O7S3

>  <MolWeight> (2,825)
620.72082

>  <Item Name> (2,825)
Cefditoren pivoxil

>  <Catalog Number> (2,825)
S1768

>  <Synonyms> (2,825)
Spectracef , Meiact

>  <Target> (2,825)
5-alpha Reductase 

>  <Form> (2,825)
Free Base

>  <URL> (2,825)
http://www.selleckchem.com/products/Cefditoren-pivoxil.html

>  <CAS Number> (2,825)
117467-28-4 

$$$$
SULFADIAZINE (sulfadiazine).cdx
csChFnd80/10101813242D

 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
    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
    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 N   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
    4.8413    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    4.8951    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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 13 14  2  0  0  0  0
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 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,826)
2826

>  <Formula> (2,826)
C10H10N4O2S

>  <MolWeight> (2,826)
250.277

>  <Item Name> (2,826)
Sulfadiazine

>  <Catalog Number> (2,826)
S1770

>  <Synonyms> (2,826)
Adiazin, Adiazine, Debenal, Liquadiazine

>  <Target> (2,826)
Antifection

>  <Form> (2,826)
Free Base

>  <URL> (2,826)
http://www.selleckchem.com/products/Sulfadiazine.html

>  <CAS Number> (2,826)
68-35-9

$$$$
TARACTAN (chlorprothixene).cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 11  1  0  0  0  0
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 14  9  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,827)
2827

>  <Formula> (2,827)
C18H18ClNS

>  <MolWeight> (2,827)
315.86022

>  <Item Name> (2,827)
Chlorprothixene

>  <Catalog Number> (2,827)
S1771

>  <Synonyms> (2,827)
Cloxan, Taractan, Truxal

>  <Target> (2,827)
Dopamine Receptor

>  <Form> (2,827)
Free Base

>  <URL> (2,827)
http://www.selleckchem.com/products/Chlorprothixene.html

>  <CAS Number> (2,827)
113-59-7

$$$$
TERRAMYCIN (oxytetracycline).cdx
csChFnd80/10101813242D

 35 38  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9035    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5 31  1  6  0  0  0
  4 32  1  6  0  0  0
  7 33  1  6  0  0  0
  8 34  1  6  0  0  0
 11 35  1  6  0  0  0
M  END
>  <Mol_ID> (2,828)
2828

>  <Formula> (2,828)
C22H24N2O9

>  <MolWeight> (2,828)
460.43396

>  <Item Name> (2,828)
Oxytetracycline (Terramycin)

>  <Catalog Number> (2,828)
S1773

>  <Synonyms> (2,828)
Terramycin, Liquamycin

>  <Target> (2,828)
NULL

>  <Form> (2,828)
Free Base

>  <URL> (2,828)
http://www.selleckchem.com/products/Oxytetracycline(Terramycin).html

>  <CAS Number> (2,828)
79-57-2

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/10101813242D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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  5  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,829)
2829

>  <Formula> (2,829)
C5H5N5S

>  <MolWeight> (2,829)
167.1917

>  <Item Name> (2,829)
Thioguanine

>  <Catalog Number> (2,829)
S1774

>  <Synonyms> (2,829)
6-Thioguanine

>  <Target> (2,829)
Others

>  <Form> (2,829)
Free Base

>  <URL> (2,829)
http://www.selleckchem.com/products/Thioguanine.html

>  <CAS Number> (2,829)
154-42-7

$$$$
Thiotepa.cdx
csChFnd80/10101813242D

 11 13  0  0  0  0  0  0  0  0999 V2000
    2.6124    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0124    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
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M  END
>  <Mol_ID> (2,830)
2830

>  <Formula> (2,830)
C6H12N3PS

>  <MolWeight> (2,830)
189.218341

>  <Item Name> (2,830)
Thiotepa (Thioplex)

>  <Catalog Number> (2,830)
S1775

>  <Synonyms> (2,830)
Tiofosyl, Tiofosfamid, Triethylenethiophosphoramide 

>  <Target> (2,830)
Others

>  <Form> (2,830)
Free Base

>  <URL> (2,830)
http://www.selleckchem.com/products/Thiotepa(Thioplex).html

>  <CAS Number> (2,830)
52-24-4

$$$$
TRECATOR (ethionamide).cdx
csChFnd80/10101813242D

 11 11  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
    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 N   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
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  4 10  1  0  0  0  0
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M  END
>  <Mol_ID> (2,831)
2831

>  <Formula> (2,831)
C8H10N2S

>  <MolWeight> (2,831)
166.2434

>  <Item Name> (2,831)
Ethionamide

>  <Catalog Number> (2,831)
S1777

>  <Synonyms> (2,831)
2-ethylthioisonicotinamide, Trecator SC, Amidazine 

>  <Target> (2,831)
Antifection

>  <Form> (2,831)
Free Base

>  <URL> (2,831)
http://www.selleckchem.com/products/Ethionamide.html

>  <CAS Number> (2,831)
536-33-4

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.6782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,832)
2832

>  <Formula> (2,832)
C10H11F3N2O5

>  <MolWeight> (2,832)
296.1999496

>  <Item Name> (2,832)
Trifluridine (Viroptic)

>  <Catalog Number> (2,832)
S1778

>  <Synonyms> (2,832)
Viroptic, Trifluorothymidine

>  <Target> (2,832)
NULL

>  <Form> (2,832)
Free Base

>  <URL> (2,832)
http://www.selleckchem.com/products/Trifluridine(Viroptic).html

>  <CAS Number> (2,832)
70-00-8

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,833)
2833

>  <Formula> (2,833)
C8H12N4O5

>  <MolWeight> (2,833)
244.20468

>  <Item Name> (2,833)
Azacitidine (Vidaza)

>  <Catalog Number> (2,833)
S1782

>  <Synonyms> (2,833)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (2,833)
DNA/RNA Synthesis

>  <Form> (2,833)
Free Base

>  <URL> (2,833)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

>  <CAS Number> (2,833)
320-67-2

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,834)
2834

>  <Formula> (2,834)
C10H13N5O4

>  <MolWeight> (2,834)
267.24132

>  <Item Name> (2,834)
Vidarabine (Vira-A)

>  <Catalog Number> (2,834)
S1784

>  <Synonyms> (2,834)
Vira-A

>  <Target> (2,834)
5-alpha Reductase 

>  <Form> (2,834)
Free Base

>  <URL> (2,834)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

>  <CAS Number> (2,834)
5536-17-4

$$$$
VUMON (teniposide).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,835)
2835

>  <Formula> (2,835)
C32H32O13S

>  <MolWeight> (2,835)
656.65368

>  <Item Name> (2,835)
Teniposide (Vumon)

>  <Catalog Number> (2,835)
S1787

>  <Synonyms> (2,835)
Vumon, VM-26, Vehem, NSC 122819 

>  <Target> (2,835)
Topoisomerase

>  <Form> (2,835)
Free Base

>  <URL> (2,835)
http://www.selleckchem.com/products/Teniposide(Vumon).html

>  <CAS Number> (2,835)
29767-20-2

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/10101813242D

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   10.7399    3.3939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3857    1.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 20  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 25 36  1  6  0  0  0
 26 37  1  6  0  0  0
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  6 39  1  1  0  0  0
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 50 51  2  0  0  0  0
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 56 52  1  0  0  0  0
 54 57  1  0  0  0  0
M  END
>  <Mol_ID> (2,836)
2836

>  <Formula> (2,836)
C43H51N3O11

>  <MolWeight> (2,836)
785.87854

>  <Item Name> (2,836)
Rifaximin (Xifaxan)

>  <Catalog Number> (2,836)
S1790

>  <Synonyms> (2,836)
Rifacol, Fatroximin

>  <Target> (2,836)
DNA/RNA Synthesis

>  <Form> (2,836)
Free Base

>  <URL> (2,836)
http://www.selleckchem.com/products/Rifaximin(Xifaxan).html

>  <CAS Number> (2,836)
80621-81-4

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/10101813242D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4122    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    9.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    7.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5000    0.0000 H   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
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  4  7  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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  5 32  1  1  0  0  0
M  END
>  <Mol_ID> (2,837)
2837

>  <Formula> (2,837)
C25H38O5

>  <MolWeight> (2,837)
418.56622

>  <Item Name> (2,837)
Simvastatin (Zocor)

>  <Catalog Number> (2,837)
S1792

>  <Synonyms> (2,837)
Simlup, Simcard, Simvacor, Simvoget, Zorced 

>  <Target> (2,837)
HMG-CoA Reductase

>  <Form> (2,837)
Free Base

>  <URL> (2,837)
http://www.selleckchem.com/products/Simvastatin(Zocor).html

>  <CAS Number> (2,837)
79902-63-9

$$$$
ALTACE (ramipril).cdx
csChFnd80/10101813242D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.4122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6247    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2536    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.1858    4.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9490    6.8597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.0532    2.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2391    8.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,838)
2838

>  <Formula> (2,838)
C23H32N2O5

>  <MolWeight> (2,838)
416.51058

>  <Item Name> (2,838)
Ramipril (Altace)

>  <Catalog Number> (2,838)
S1793

>  <Synonyms> (2,838)
Tritace

>  <Target> (2,838)
RAAS

>  <Form> (2,838)
Free Base

>  <URL> (2,838)
http://www.selleckchem.com/products/Ramipril(Altace).html

>  <CAS Number> (2,838)
87333-19-5

$$$$
FENOFIBRATE (MICRONIZED) (fenofibrate).cdx
csChFnd80/10101813242D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 Cl  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
    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6827    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1909    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5909    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7238    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 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  9  1  0  0  0  0
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 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,839)
2839

>  <Formula> (2,839)
C20H21ClO4

>  <MolWeight> (2,839)
360.83134

>  <Item Name> (2,839)
Fenofibrate (Tricor, Trilipix)

>  <Catalog Number> (2,839)
S1794

>  <Synonyms> (2,839)
Antara, Fenoglide, Fibricor, Lipofen, Lofibra, Triglide 

>  <Target> (2,839)
NULL

>  <Form> (2,839)
Free Base

>  <URL> (2,839)
http://www.selleckchem.com/products/Fenofibrate(Tricor).html

>  <CAS Number> (2,839)
49562-28-9

$$$$
RANITIDINE (ranitidine).cdx
csChFnd80/10101813242D

 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
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Ranitidine Hydrochloride

>  <Catalog Number> (2,840)
S1801

>  <Synonyms> (2,840)
AH19065

>  <Target> (2,840)
Histamine Receptor antagonist

>  <Form> (2,840)
Hydrochloride

>  <URL> (2,840)
http://www.selleckchem.com/products/Ranitidine-hydrochloride(Zantac).html

>  <CAS Number> (2,840)
66357-59-3

$$$$
Acipimox.cdx
csChFnd80/10101813242D

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Acipimox 

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S1806

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K-9321, Olbemox, Olbetam

>  <Target> (2,841)
Others

>  <Form> (2,841)
Free Base

>  <URL> (2,841)
http://www.selleckchem.com/products/Acipimox.html

>  <CAS Number> (2,841)
51037-30-0

$$$$
Acyclovir.cdx
csChFnd80/10101813242D

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2842

>  <Formula> (2,842)
C8H11N5O3

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225.20464

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Acyclovir (Aciclovir)

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S1807

>  <Synonyms> (2,842)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (2,842)
Antifection

>  <Form> (2,842)
Free Base

>  <URL> (2,842)
http://www.selleckchem.com/products/Acyclovir(Aciclovir).html

>  <CAS Number> (2,842)
59277-89-3 

$$$$
ADALAT (nifedipine).cdx
csChFnd80/10101813242D

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2843

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C17H18N2O6

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346.33462

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Nifedipine (Adalat)

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S1808

>  <Synonyms> (2,843)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (2,843)
Calcium Channel

>  <Form> (2,843)
Free Base

>  <URL> (2,843)
http://www.selleckchem.com/products/Nifedipine(Adalat).html

>  <CAS Number> (2,843)
21829-25-4

$$$$
Baricitinib.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,844)
2844

>  <Formula> (2,844)
C16H17N7O2S

>  <MolWeight> (2,844)
371.41688

>  <Item Name> (2,844)
Baricitinib (LY3009104)

>  <Catalog Number> (2,844)
S2851

>  <Synonyms> (2,844)
INCB 28050

>  <Target> (2,844)
JAK

>  <Form> (2,844)
Free Base

>  <URL> (2,844)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (2,844)
1187594-09-7

$$$$
CTEP.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,845)
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>  <Formula> (2,845)
C19H13ClF3N3O

>  <MolWeight> (2,845)
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>  <Item Name> (2,845)
CTEP (RO4956371)

>  <Catalog Number> (2,845)
S2861

>  <Synonyms> (2,845)
N/A

>  <Target> (2,845)
GluR

>  <Form> (2,845)
Free Base

>  <URL> (2,845)
http://www.selleckchem.com/products/ctep.html

>  <CAS Number> (2,845)
871362-31-1

$$$$
CAPITROL (chloroxine).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,846)
2846

>  <Formula> (2,846)
C9H5Cl2NO

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214.0481

>  <Item Name> (2,846)
Chloroxine

>  <Catalog Number> (2,846)
S1839

>  <Synonyms> (2,846)
Capitrol

>  <Target> (2,846)
Antifection

>  <Form> (2,846)
Free Base

>  <URL> (2,846)
http://www.selleckchem.com/products/Chloroxine.html

>  <CAS Number> (2,846)
773-76-2

$$$$
CEENU (lomustine).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,847)
2847

>  <Formula> (2,847)
C9H16ClN3O2

>  <MolWeight> (2,847)
233.69524

>  <Item Name> (2,847)
Lomustine (CeeNU)

>  <Catalog Number> (2,847)
S1840

>  <Synonyms> (2,847)
CCNU 

>  <Target> (2,847)
DNA/RNA Synthesis

>  <Form> (2,847)
Free Base

>  <URL> (2,847)
http://www.selleckchem.com/products/Lomustine(CeeNU).html

>  <CAS Number> (2,847)
13010-47-4

$$$$
CHENIX (chenodiol).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,848)
2848

>  <Formula> (2,848)
C24H40O4

>  <MolWeight> (2,848)
392.572

>  <Item Name> (2,848)
Chenodeoxycholic acid

>  <Catalog Number> (2,848)
S1843

>  <Synonyms> (2,848)
Chenodiol, Chenodesoxycholic acid, Chenocholic acid 

>  <Target> (2,848)
NULL

>  <Form> (2,848)
Free Base

>  <URL> (2,848)
http://www.selleckchem.com/products/Chenodeoxycholic-acid.html

>  <CAS Number> (2,848)
474-25-9 

$$$$
cimetidine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,849)
2849

>  <Formula> (2,849)
C10H16N6S

>  <MolWeight> (2,849)
252.33924

>  <Item Name> (2,849)
Cimetidine (Tagamet)

>  <Catalog Number> (2,849)
S1845

>  <Synonyms> (2,849)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (2,849)
NULL

>  <Form> (2,849)
Free Base

>  <URL> (2,849)
http://www.selleckchem.com/products/Cimetidine(Tagamet).html

>  <CAS Number> (2,849)
51481-61-9

$$$$
clemastine fumarate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,850)
2850

>  <Formula> (2,850)
C25H30ClNO5

>  <MolWeight> (2,850)
459.9624

>  <Item Name> (2,850)
Clemastine Fumarate

>  <Catalog Number> (2,850)
S1847

>  <Synonyms> (2,850)
Tavist, Agasten 

>  <Target> (2,850)
Histamine Receptor

>  <Form> (2,850)
Fumarate

>  <URL> (2,850)
http://www.selleckchem.com/products/Clemastine-Fumarate.html

>  <CAS Number> (2,850)
14976-57-9

$$$$
Daidzein.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   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  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.8951    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
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  2 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  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> (2,851)
2851

>  <Formula> (2,851)
C15H10O4

>  <MolWeight> (2,851)
254.2375

>  <Item Name> (2,851)
Daidzein

>  <Catalog Number> (2,851)
S1849

>  <Synonyms> (2,851)
N/A

>  <Target> (2,851)
Others

>  <Form> (2,851)
Free Base

>  <URL> (2,851)
http://www.selleckchem.com/products/Daidzein.html

>  <CAS Number> (2,851)
486-66-8 

$$$$
Methylthiouracil.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 S   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
  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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  5  6  1  0  0  0  0
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  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,852)
2852

>  <Formula> (2,852)
C5H6N2OS

>  <MolWeight> (2,852)
142.17894

>  <Item Name> (2,852)
Methylthiouracil

>  <Catalog Number> (2,852)
S3138

>  <Synonyms> (2,852)
N/A

>  <Target> (2,852)
Others

>  <Form> (2,852)
Free Base

>  <URL> (2,852)
http://www.selleckchem.com/products/methylthiouracil.html

>  <CAS Number> (2,852)
56-04-2

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/10101813242D

 10 10  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
    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 N   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
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    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
  6  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
M  END
>  <Mol_ID> (2,853)
2853

>  <Formula> (2,853)
C6H7N3O

>  <MolWeight> (2,853)
137.13928

>  <Item Name> (2,853)
Isoniazid (Tubizid)

>  <Catalog Number> (2,853)
S1937

>  <Synonyms> (2,853)
Tubizid, Laniazid, Nydrazid, Isonicotinylhydrazine

>  <Target> (2,853)
Angiogenesis

>  <Form> (2,853)
Free Base

>  <URL> (2,853)
http://www.selleckchem.com/products/Isoniazid(Tubizid).html

>  <CAS Number> (2,853)
54-85-3

$$$$
LEXXEL (enalapril maleate).cdx
csChFnd80/10101813242D

 35 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8776    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2831    2.1776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.9776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4545    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8263    0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4606    2.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1630    0.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5679    0.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2703    2.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5679    3.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1630    3.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6703    2.1337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  2  0  0  0  0
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 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 31 34  1  0  0  0  0
 28 35  2  0  0  0  0
M  END
>  <Mol_ID> (2,854)
2854

>  <Formula> (2,854)
C24H32N2O9

>  <MolWeight> (2,854)
492.51888

>  <Item Name> (2,854)
Enalapril maleate (Vasotec)

>  <Catalog Number> (2,854)
S1941

>  <Synonyms> (2,854)
Glioten, Renitec 

>  <Target> (2,854)
Opioid Receptor

>  <Form> (2,854)
Maleate

>  <URL> (2,854)
http://www.selleckchem.com/products/Enalapril-maleate(Vasotec).html

>  <CAS Number> (2,854)
76095-16-4

$$$$
MENADIONE (menadione).cdx
csChFnd80/10101813242D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    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
    6.0580    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  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
 10 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,855)
2855

>  <Formula> (2,855)
C11H8O2

>  <MolWeight> (2,855)
172.18002

>  <Item Name> (2,855)
Menadione

>  <Catalog Number> (2,855)
S1949

>  <Synonyms> (2,855)
Vitamin K3

>  <Target> (2,855)
DNA/RNA Synthesis,phosphatase

>  <Form> (2,855)
Free Base

>  <URL> (2,855)
http://www.selleckchem.com/products/Menadione.html

>  <CAS Number> (2,855)
58-27-5

$$$$
Metformin hydrochloride.cdx
csChFnd80/10101813242D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    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
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,856)
2856

>  <Formula> (2,856)
C4H12ClN5

>  <MolWeight> (2,856)
165.62458

>  <Item Name> (2,856)
Metformin hydrochloride (Glucophage)

>  <Catalog Number> (2,856)
S1950

>  <Synonyms> (2,856)
Glucophage, Riomet, Diabex

>  <Target> (2,856)
Others

>  <Form> (2,856)
Hydrochloride

>  <URL> (2,856)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

>  <CAS Number> (2,856)
1115-70-4

$$$$
Methoxsalen.cdx
csChFnd80/10101813242D

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    2.3601    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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  6  1  2  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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  2 14  2  0  0  0  0
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M  END
>  <Mol_ID> (2,857)
2857

>  <Formula> (2,857)
C12H8O4

>  <MolWeight> (2,857)
216.18952

>  <Item Name> (2,857)
Methoxsalen (Oxsoralen)

>  <Catalog Number> (2,857)
S1952

>  <Synonyms> (2,857)
Xanthotoxin, Metoxaleno,  Dltasoralen, Meladinine, Uvadex

>  <Target> (2,857)
P450 (e.g. CYP17)

>  <Form> (2,857)
Free Base

>  <URL> (2,857)
http://www.selleckchem.com/products/Methoxsalen(Oxsoralen).html

>  <CAS Number> (2,857)
298-81-7

$$$$
Miconazole nitrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,858)
2858

>  <Formula> (2,858)
C18H15Cl4N3O4

>  <MolWeight> (2,858)
479.1414

>  <Item Name> (2,858)
Miconazole nitrate

>  <Catalog Number> (2,858)
S1956

>  <Synonyms> (2,858)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (2,858)
Antifection

>  <Form> (2,858)
Nitrate 

>  <URL> (2,858)
http://www.selleckchem.com/products/Miconazole-nitrate.html

>  <CAS Number> (2,858)
22832-87-7

$$$$
MYSOLINE (primidone).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,859)
2859

>  <Formula> (2,859)
C12H14N2O2

>  <MolWeight> (2,859)
218.25176

>  <Item Name> (2,859)
Primidone (Mysoline)

>  <Catalog Number> (2,859)
S1965

>  <Synonyms> (2,859)
Mysoline, Neurosyn, Mylepsin

>  <Target> (2,859)
Sodium Channel

>  <Form> (2,859)
Free Base

>  <URL> (2,859)
http://www.selleckchem.com/products/Primidone(Mysoline).html

>  <CAS Number> (2,859)
125-33-7

$$$$
Nefiracetam.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,860)
2860

>  <Formula> (2,860)
C14H18N2O2

>  <MolWeight> (2,860)
246.30492

>  <Item Name> (2,860)
Nefiracetam (Translon)

>  <Catalog Number> (2,860)
S1969

>  <Synonyms> (2,860)
DM 9384, Translon, DZL-221

>  <Target> (2,860)
GABA Receptor

>  <Form> (2,860)
Free Base

>  <URL> (2,860)
http://www.selleckchem.com/products/Nefiracetam(Translon).html

>  <CAS Number> (2,860)
77191-36-7

$$$$
Nicorandil.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,861)
2861

>  <Formula> (2,861)
C8H9N3O4

>  <MolWeight> (2,861)
211.17476

>  <Item Name> (2,861)
Nicorandil (Ikorel)

>  <Catalog Number> (2,861)
S1971

>  <Synonyms> (2,861)
SG-75

>  <Target> (2,861)
Potassium Channel

>  <Form> (2,861)
Free Base

>  <URL> (2,861)
http://www.selleckchem.com/products/Nicorandil(Ikorel).html

>  <CAS Number> (2,861)
65141-46-0

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,862)
2862

>  <Formula> (2,862)
C32H37NO8

>  <MolWeight> (2,862)
563.63808

>  <Item Name> (2,862)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (2,862)
S1972

>  <Synonyms> (2,862)
Istubal

>  <Target> (2,862)
Estrogen/progestogen Receptor

>  <Form> (2,862)
Citrate

>  <URL> (2,862)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (2,862)
54965-24-1

$$$$
PF 3716556.cdx
csChFnd80/10101813242D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.4038    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6163    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6163    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2536    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6163    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7975    1.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6204    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7975    3.9253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0155    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    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
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
  7 12  1  1  0  0  0
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 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
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 15 23  1  0  0  0  0
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 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,863)
2863

>  <Formula> (2,863)
C22H26N4O3

>  <MolWeight> (2,863)
394.46684

>  <Item Name> (2,863)
PF 3716556

>  <Catalog Number> (2,863)
S2222

>  <Synonyms> (2,863)
N/A 

>  <Target> (2,863)
ATPase, Proton Pump

>  <Form> (2,863)
Free Base

>  <URL> (2,863)
http://www.selleckchem.com/products/PF-3716556.html

>  <CAS Number> (2,863)
928774-43-0

$$$$
PAMINE (methscopolamine bromide).cdx
csChFnd80/10101813242D

 28 30  0  0  0  0  0  0  0  0999 V2000
    7.4333    7.3555    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    2.2928    4.7304    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9900    4.2187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5882    5.4844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8713    6.0431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2928    7.4943    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1568    5.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6005    4.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9528    4.5934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1929    5.3696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028    8.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827    8.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2479    6.8374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    3.3353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8712    7.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4974    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0810    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7057    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4974    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7099    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1305    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9181    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7057    4.1927    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
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10  3  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  4 13  1  6  0  0  0
  3 14  1  6  0  0  0
  2 15  1  1  0  0  0
  5 16  1  6  0  0  0
  9 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
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 25 26  2  0  0  0  0
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 28 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,864)
2864

>  <Formula> (2,864)
C18H24BrNO4

>  <MolWeight> (2,864)
398.29146

>  <Item Name> (2,864)
Methscopolamine (Pamine)

>  <Catalog Number> (2,864)
S1978

>  <Synonyms> (2,864)
N/A 

>  <Target> (2,864)
AChR

>  <Form> (2,864)
quaternary-N bromide salt

>  <URL> (2,864)
http://www.selleckchem.com/products/Methscopolamine-bromide(Pamine).html

>  <CAS Number> (2,864)
155-41-9

$$$$
PROPYLTHIOURACIL (propylthiouracil).cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    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
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  4 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,865)
2865

>  <Formula> (2,865)
C7H10N2OS

>  <MolWeight> (2,865)
170.2321

>  <Item Name> (2,865)
Propylthiouracil

>  <Catalog Number> (2,865)
S1988

>  <Synonyms> (2,865)
6-n-Propylthiouracil

>  <Target> (2,865)
Others

>  <Form> (2,865)
Free Base

>  <URL> (2,865)
http://www.selleckchem.com/products/Propylthiouracil.html

>  <CAS Number> (2,865)
51-52-5

$$$$
untitled.cdx
csChFnd80/10101813242D

 31 33  0  0  0  0  0  0  0  0999 V2000
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    7.2788    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    7.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246   10.5152    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    7.7104    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (2,866)
2866

>  <Formula> (2,866)
C23H23ClFNO5

>  <MolWeight> (2,866)
447.8838232

>  <Item Name> (2,866)
Elvitegravir (GS-9137)

>  <Catalog Number> (2,866)
S2001

>  <Synonyms> (2,866)
N/A 

>  <Target> (2,866)
Integrase 

>  <Form> (2,866)
Free Base

>  <URL> (2,866)
http://www.selleckchem.com/products/Elvitegravir.html

>  <CAS Number> (2,866)
697761-98-1

$$$$
untitled.cdx
csChFnd80/10101813242D

 37 41  0  0  0  0  0  0  0  0999 V2000
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    0.0000    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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58-14-0

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Sulindac.cdx
csChFnd80/10101813242D

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564-20-5

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>  <Formula> (2,872)
C7H10O5

>  <MolWeight> (2,872)
174.1513

>  <Item Name> (2,872)
Shikimic acid (Shikimate)

>  <Catalog Number> (2,872)
S2356

>  <Synonyms> (2,872)
Shikimate, Bracken fern toxic component, L-Shikimic acid 

>  <Target> (2,872)
Others

>  <Form> (2,872)
Free Base

>  <URL> (2,872)
http://www.selleckchem.com/products/Shikimic-acid(Shikimate).html

>  <CAS Number> (2,872)
138-59-0 

$$$$
Silibinin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,873)
2873

>  <Formula> (2,873)
C25H22O10

>  <MolWeight> (2,873)
482.43618

>  <Item Name> (2,873)
Silibinin (Silybin)

>  <Catalog Number> (2,873)
S2357

>  <Synonyms> (2,873)
Silybin

>  <Target> (2,873)
Others

>  <Form> (2,873)
Free Base

>  <URL> (2,873)
http://www.selleckchem.com/products/Silibinin(Silybin).html

>  <CAS Number> (2,873)
22888-70-6

$$$$
Silymarin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,874)
2874

>  <Formula> (2,874)
C25H22O10

>  <MolWeight> (2,874)
482.43618

>  <Item Name> (2,874)
Silymarin (Silybin B)

>  <Catalog Number> (2,874)
S2358

>  <Synonyms> (2,874)
Silybin B, Silibinin B

>  <Target> (2,874)
NULL

>  <Form> (2,874)
Free Base

>  <URL> (2,874)
http://www.selleckchem.com/products/Silymarin(Silybin-B).html

>  <CAS Number> (2,874)
65666-07-1

$$$$
Sinomenine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,875)
2875

>  <Formula> (2,875)
C19H23NO4

>  <MolWeight> (2,875)
329.39022

>  <Item Name> (2,875)
Sinomenine (Cucoline)

>  <Catalog Number> (2,875)
S2359

>  <Synonyms> (2,875)
Cucoline, Kukoline, Coculine, Sabianine A 

>  <Target> (2,875)
Others

>  <Form> (2,875)
Free Base

>  <URL> (2,875)
http://www.selleckchem.com/products/Sinomenine(Cucoline).html

>  <CAS Number> (2,875)
115-53-7

$$$$
Synephrine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,876)
2876

>  <Formula> (2,876)
C9H13NO2

>  <MolWeight> (2,876)
167.20502

>  <Item Name> (2,876)
Synephrine (Oxedrine)

>  <Catalog Number> (2,876)
S2362

>  <Synonyms> (2,876)
Oxedrine, p-Synephrine, Sympatol, Parasympatol, Sympaethamine 

>  <Target> (2,876)
Androgen Receptor

>  <Form> (2,876)
Free Base

>  <URL> (2,876)
http://www.selleckchem.com/products/Synephrine(Oxedrine).html

>  <CAS Number> (2,876)
94-07-5

$$$$
Tangeretin.cdx
csChFnd80/10101813242D

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   13.4640    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 21  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,877)
2877

>  <Formula> (2,877)
C20H20O7

>  <MolWeight> (2,877)
372.3686

>  <Item Name> (2,877)
Tangeretin (Tangeritin)

>  <Catalog Number> (2,877)
S2363

>  <Synonyms> (2,877)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (2,877)
ROS

>  <Form> (2,877)
Free Base

>  <URL> (2,877)
http://www.selleckchem.com/products/Tangeretin(Tangeritin).html

>  <CAS Number> (2,877)
481-53-8

$$$$
Tanshinone I.cdx
csChFnd80/10101813242D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.9278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.3976    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
    7.8248    0.3357    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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
  6 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,878)
2878

>  <Formula> (2,878)
C18H12O3

>  <MolWeight> (2,878)
276.28608

>  <Item Name> (2,878)
Tanshinone I

>  <Catalog Number> (2,878)
S2364

>  <Synonyms> (2,878)
N/A

>  <Target> (2,878)
Others

>  <Form> (2,878)
Free Base

>  <URL> (2,878)
http://www.selleckchem.com/products/Tanshinone-I.html

>  <CAS Number> (2,878)
568-73-0

$$$$
Tanshinone IIA.cdx
csChFnd80/10101813242D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    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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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  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
  9 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  1  0  0  0  0
 11 15  1  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
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,879)
2879

>  <Formula> (2,879)
C19H18O3

>  <MolWeight> (2,879)
294.34442

>  <Item Name> (2,879)
Tanshinone IIA (Tanshinone B)

>  <Catalog Number> (2,879)
S2365

>  <Synonyms> (2,879)
Tanshinone B, Tanshinone II

>  <Target> (2,879)
Lipase

>  <Form> (2,879)
Free Base

>  <URL> (2,879)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

>  <CAS Number> (2,879)
568-72-9

$$$$
Tetrahydropapaverine hydrochloride.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,880)
2880

>  <Formula> (2,880)
C20H26ClNO4

>  <MolWeight> (2,880)
379.87774

>  <Item Name> (2,880)
Tetrahydropapaverine hydrochloride

>  <Catalog Number> (2,880)
S2367

>  <Synonyms> (2,880)
N/A

>  <Target> (2,880)
Hydroxylase

>  <Form> (2,880)
Hydrochloride

>  <URL> (2,880)
http://www.selleckchem.com/products/Tetrahydropapaverine-hydrochloride.html

>  <CAS Number> (2,880)
6429-04-5 

$$$$
Troxerutin.cdx
csChFnd80/10101813242D

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    4.8371    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 51  1  1  0  0  0
 29 52  1  1  0  0  0
M  END
>  <Mol_ID> (2,881)
2881

>  <Formula> (2,881)
C33H42O19

>  <MolWeight> (2,881)
742.67518

>  <Item Name> (2,881)
Troxerutin

>  <Catalog Number> (2,881)
S2369

>  <Synonyms> (2,881)
Trihydroxyethylrutin, Troxerutin

>  <Target> (2,881)
Thrombin

>  <Form> (2,881)
Free Base

>  <URL> (2,881)
http://www.selleckchem.com/products/Troxerutin.html

>  <CAS Number> (2,881)
7085-55-4

$$$$
Ursolic acid.cdx
csChFnd80/10101813242D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 22 28  1  1  0  0  0
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  9 30  1  1  0  0  0
  5 31  1  1  0  0  0
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  4 33  1  6  0  0  0
 10 34  1  6  0  0  0
 11 35  1  6  0  0  0
 21 36  1  6  0  0  0
M  END
>  <Mol_ID> (2,882)
2882

>  <Formula> (2,882)
C30H48O3

>  <MolWeight> (2,882)
456.70032

>  <Item Name> (2,882)
Ursolic acid (Malol)

>  <Catalog Number> (2,882)
S2370

>  <Synonyms> (2,882)
Malol, Prunol, Urson

>  <Target> (2,882)
Others

>  <Form> (2,882)
Free Base

>  <URL> (2,882)
http://www.selleckchem.com/products/Ursolic-acid(Malol).html

>  <CAS Number> (2,882)
77-52-1

$$$$
Vanillylacetone.cdx
csChFnd80/10101813242D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2854    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
  2  7  1  0  0  0  0
  3  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
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,883)
2883

>  <Formula> (2,883)
C11H14O3

>  <MolWeight> (2,883)
194.22706

>  <Item Name> (2,883)
Vanillylacetone

>  <Catalog Number> (2,883)
S2371

>  <Synonyms> (2,883)
N/A

>  <Target> (2,883)
Others

>  <Form> (2,883)
Free Base

>  <URL> (2,883)
http://www.selleckchem.com/products/Vanillylacetone.html

>  <CAS Number> (2,883)
122-48-5

$$$$
Xanthone.cdx
csChFnd80/10101813242D

 15 17  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
    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
    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
    3.6373    0.0000    0.0000 O   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
    4.8497    2.1000    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
    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
    3.6373    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  8 11  1  0  0  0  0
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M  END
>  <Mol_ID> (2,884)
2884

>  <Formula> (2,884)
C13H8O2

>  <MolWeight> (2,884)
196.20142

>  <Item Name> (2,884)
Xanthone (Genicide)

>  <Catalog Number> (2,884)
S2372

>  <Synonyms> (2,884)
Genicide, Benzophenone oxide, Diphenylene ketone oxide 

>  <Target> (2,884)
Others

>  <Form> (2,884)
Free Base

>  <URL> (2,884)
http://www.selleckchem.com/products/Xanthone(Genicide).html

>  <CAS Number> (2,884)
90-47-1 

$$$$
Yohimbine hydrochloride.cdx
csChFnd80/10101813242D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.4388    4.7859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    6.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    6.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    7.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    7.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    5.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9408    5.3177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8776    6.3581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450    7.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0756    7.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3735    3.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7429    3.6951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6797    4.7355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2470    6.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1755    2.3636    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5449    2.0726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4817    3.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0491    4.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6132    5.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    4.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7529    2.7052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2420    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8874    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1632    1.4463    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  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  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
  2 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  3  1  0  0  0  0
 10 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 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 16 22  1  1  0  0  0
 10 23  1  6  0  0  0
 15 24  1  6  0  0  0
 19 25  1  6  0  0  0
 18 26  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,885)
2885

>  <Formula> (2,885)
C21H27ClN2O3

>  <MolWeight> (2,885)
390.90368

>  <Item Name> (2,885)
Yohimbine hydrochloride (Antagonil)

>  <Catalog Number> (2,885)
S2373

>  <Synonyms> (2,885)
Antagonil, Yohimbe, Aphrodine hydrochloride, Yohimbine monohydrochloride 

>  <Target> (2,885)
NULL

>  <Form> (2,885)
Hydrochloride

>  <URL> (2,885)
http://www.selleckchem.com/products/Yohimbine-hydrochloride(Antagonil).html

>  <CAS Number> (2,885)
65-19-0 

$$$$
5-HTP.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4622    4.8963    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8933    6.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9598    7.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2579    6.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975    4.6062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (2,886)
2886

>  <Formula> (2,886)
C11H12N2O3

>  <MolWeight> (2,886)
220.22458

>  <Item Name> (2,886)
5-hydroxytryptophan (5-HTP)

>  <Catalog Number> (2,886)
S2374

>  <Synonyms> (2,886)
N/A 

>  <Target> (2,886)
Others

>  <Form> (2,886)
Free Base

>  <URL> (2,886)
http://www.selleckchem.com/products/5-hydroxytryptophan(5-HTP).html

>  <CAS Number> (2,886)
56-69-9

$$$$
Aloin.cdx
csChFnd80/10101813242D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,887)
2887

>  <Formula> (2,887)
C21H22O9

>  <MolWeight> (2,887)
418.39398

>  <Item Name> (2,887)
Aloin (Barbaloin)

>  <Catalog Number> (2,887)
S2375 

>  <Synonyms> (2,887)
Barbaloin

>  <Target> (2,887)
Tyrosinase

>  <Form> (2,887)
Free Base

>  <URL> (2,887)
http://www.selleckchem.com/products/Aloin(Barbaloin).html

>  <CAS Number> (2,887)
1415-73-2 

$$$$
Ammonium Glycyrrhizinate.cdx
csChFnd80/10101813242D

 64 69  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,888)
2888

>  <Formula> (2,888)
C42H65NO16

>  <MolWeight> (2,888)
839.9626

>  <Item Name> (2,888)
Ammonium Glycyrrhizinate (AMGZ)

>  <Catalog Number> (2,888)
S2376

>  <Synonyms> (2,888)
AMGZ

>  <Target> (2,888)
Dehydrogenase

>  <Form> (2,888)
Glycyrrhizic acid salt

>  <URL> (2,888)
http://www.selleckchem.com/products/Ammonium-Glycyrrhizinate(AMGZ).html

>  <CAS Number> (2,888)
1407-03-0

$$$$
Biochanin A.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,889)
2889

>  <Formula> (2,889)
C16H12O5

>  <MolWeight> (2,889)
284.26348

>  <Item Name> (2,889)
Biochanin A (4-Methylgenistein)

>  <Catalog Number> (2,889)
S2377

>  <Synonyms> (2,889)
4-Methylgenistein

>  <Target> (2,889)
FAAH

>  <Form> (2,889)
Free Base

>  <URL> (2,889)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

>  <CAS Number> (2,889)
491-80-5

$$$$
Butylscopolamine bromide.cdx
csChFnd80/10101813242D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.5396    6.5698    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    8.4722    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,890)
2890

>  <Formula> (2,890)
C21H30BrNO4

>  <MolWeight> (2,890)
440.3712

>  <Item Name> (2,890)
Butylscopolamine bromide (Scopolamine butylb

>  <Catalog Number> (2,890)
S2378

>  <Synonyms> (2,890)
Scopolamine butylbromide, Butylhyoscine

>  <Target> (2,890)
Others

>  <Form> (2,890)
Bromide

>  <URL> (2,890)
http://www.selleckchem.com/products/Butylscopolamine-bromide(Scopolamine-butylbromide).html

>  <CAS Number> (2,890)
149-64-4

$$$$
Dioscin.cdx
csChFnd80/10101813242D

 69 77  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,891)
2891

>  <Formula> (2,891)
C45H72O16

>  <MolWeight> (2,891)
869.04358

>  <Item Name> (2,891)
Dioscin (Collettiside III)

>  <Catalog Number> (2,891)
S2379

>  <Synonyms> (2,891)
Collettiside III, CCRIS 4123 

>  <Target> (2,891)
Others

>  <Form> (2,891)
Free Base

>  <URL> (2,891)
http://www.selleckchem.com/products/Dioscin(Collettiside-III).html

>  <CAS Number> (2,891)
19057-60-4 

$$$$
Diosmetin.cdx
csChFnd80/10101813242D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,892)
2892

>  <Formula> (2,892)
C16H12O6

>  <MolWeight> (2,892)
300.26288

>  <Item Name> (2,892)
Diosmetin (Luteolin 4-methyl ether)

>  <Catalog Number> (2,892)
S2380

>  <Synonyms> (2,892)
Luteolin 4-methyl ether

>  <Target> (2,892)
P450 (e.g. CYP17)

>  <Form> (2,892)
Free Base

>  <URL> (2,892)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

>  <CAS Number> (2,892)
520-34-3

$$$$
D-Mannitol.cdx
csChFnd80/10101813242D

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S2381 

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Mannitol, Osmitrol, Osmofundin

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Free Base

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http://www.selleckchem.com/products/D-Mannitol(Osmitrol).html

>  <CAS Number> (2,893)
69-65-8 

$$$$
Gastrodin.cdx
csChFnd80/10101813242D

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Gastrodine

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Free Base

>  <URL> (2,894)
http://www.selleckchem.com/products/Gastrodin(Gastrodine).html

>  <CAS Number> (2,894)
62499-27-8 

$$$$
Hematoxylin.cdx
csChFnd80/10101813242D

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Hematoxylin (Hydroxybrazilin)

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Hydroxybrazilin, Natural Black 1

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http://www.selleckchem.com/products/Hematoxylin(Hydroxybrazilin).html

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517-28-2

$$$$
Hordenine.cdx
csChFnd80/10101813242D

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N,N-dimethyl-4-hydroxyphenylethylamine 

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Antifection

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Free Base

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

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539-15-1 

$$$$
Indirubin.cdx
csChFnd80/10101813242D

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N/A

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GSK-3

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>  <URL> (2,897)
http://www.selleckchem.com/products/Indirubin.html

>  <CAS Number> (2,897)
479-41-4 

$$$$
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 31 32  1  0  0  0  0
  7 32  1  0  0  0  0
 28 33  1  6  0  0  0
  9 34  1  1  0  0  0
 29 35  1  1  0  0  0
 31 36  1  1  0  0  0
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  6 38  1  6  0  0  0
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  4 40  1  1  0  0  0
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 33 43  1  0  0  0  0
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 44 45  1  0  0  0  0
 11 12  1  6  0  0  0
M  END
>  <Mol_ID> (2,898)
2898

>  <Formula> (2,898)
C32H45BrN2O8

>  <MolWeight> (2,898)
665.6123

>  <Item Name> (2,898)
Lappaconite Hydrobromide

>  <Catalog Number> (2,898)
S2387

>  <Synonyms> (2,898)
N/A

>  <Target> (2,898)
Others

>  <Form> (2,898)
Hydrobromide

>  <URL> (2,898)
http://www.selleckchem.com/products/Lappaconite-Hydrobromide.html

>  <CAS Number> (2,898)
97792-45-5 

$$$$
L-carnitine.cdx
csChFnd80/10101813242D

 11 10  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
    2.4291    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4024    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,899)
2899

>  <Formula> (2,899)
C7H15NO3

>  <MolWeight> (2,899)
161.1989

>  <Item Name> (2,899)
L-carnitine (Levocarnitine)

>  <Catalog Number> (2,899)
S2388

>  <Synonyms> (2,899)
Levocarnitine, Carnitor, vitamin BT, Karnitin

>  <Target> (2,899)
Others

>  <Form> (2,899)
quaternary-N  salt

>  <URL> (2,899)
http://www.selleckchem.com/products/L-carnitine(Levocarnitine).html

>  <CAS Number> (2,899)
541-15-1

$$$$
Naringin Dihydrochalcone.cdx
csChFnd80/10101813242D

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    8.4307    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8562    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0647    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2733    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4818    9.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6904    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0647   10.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 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 12  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
 21 20  1  1  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 21  1  0  0  0  0
 23 27  1  1  0  0  0
 25 28  1  1  0  0  0
 27 29  1  0  0  0  0
 26 30  1  6  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 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 31 37  1  1  0  0  0
 35 38  1  1  0  0  0
 33 39  1  1  0  0  0
 32 40  1  1  0  0  0
 34 41  1  6  0  0  0
 24 42  1  6  0  0  0
M  END
>  <Mol_ID> (2,900)
2900

>  <Formula> (2,900)
C27H34O14

>  <MolWeight> (2,900)
582.55046

>  <Item Name> (2,900)
Naringin Dihydrochalcone (Naringin DC)

>  <Catalog Number> (2,900)
S2389 

>  <Synonyms> (2,900)
Naringin DC

>  <Target> (2,900)
Phospholipase (e.g. PLA)

>  <Form> (2,900)
Free Base

>  <URL> (2,900)
http://www.selleckchem.com/products/Naringin-Dihydrochalcone(Naringin-DC).html

>  <CAS Number> (2,900)
18916-17-1

$$$$
Polydatin.cdx
csChFnd80/10101813242D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5240    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    6.2903    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  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  6  0  0  0
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 10 11  2  0  0  0  0
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 13  8  1  0  0  0  0
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 16 17  1  0  0  0  0
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  6 24  1  1  0  0  0
  2 25  1  1  0  0  0
  1 26  1  6  0  0  0
  3 27  1  6  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,901)
2901

>  <Formula> (2,901)
C20H22O8

>  <MolWeight> (2,901)
390.38388

>  <Item Name> (2,901)
Polydatin(Piceid)

>  <Catalog Number> (2,901)
S2390

>  <Synonyms> (2,901)
Piceid, 3,4,5-Tsg, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside 

>  <Target> (2,901)
Phospholipase (e.g. PLA)

>  <Form> (2,901)
Free Base

>  <URL> (2,901)
http://www.selleckchem.com/products/Polydatin(Piceid).html

>  <CAS Number> (2,901)
65914-17-2

$$$$
Sesamin.cdx
csChFnd80/10101813242D

 28 33  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5326    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
    0.8229    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9999    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  5  1  6  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
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 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 14  1  0  0  0  0
 14 18  1  6  0  0  0
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 15 20  1  6  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,902)
2902

>  <Formula> (2,902)
C20H18O6

>  <MolWeight> (2,902)
354.35332

>  <Item Name> (2,902)
Sesamin (Fagarol)

>  <Catalog Number> (2,902)
S2392

>  <Synonyms> (2,902)
Fagarol, Sezamin

>  <Target> (2,902)
Others

>  <Form> (2,902)
Free Base

>  <URL> (2,902)
http://www.selleckchem.com/products/Sesamin(Fagarol).html

>  <CAS Number> (2,902)
607-80-7

$$$$
Sorbitol.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4 10  1  1  0  0  0
  5 11  1  1  0  0  0
  6 12  1  1  0  0  0
M  END
>  <Mol_ID> (2,903)
2903

>  <Formula> (2,903)
C6H14O6

>  <MolWeight> (2,903)
182.17176

>  <Item Name> (2,903)
Sorbitol (Glucitol)

>  <Catalog Number> (2,903)
S2393

>  <Synonyms> (2,903)
Glucitol 

>  <Target> (2,903)
Others

>  <Form> (2,903)
Free Base

>  <URL> (2,903)
http://www.selleckchem.com/products/Sorbitol(Glucitol).html

>  <CAS Number> (2,903)
50-70-4 

$$$$
Naringenin.cdx
csChFnd80/10101813242D

 20 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
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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  3 12  1  0  0  0  0
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,904)
2904

>  <Formula> (2,904)
C15H12O5

>  <MolWeight> (2,904)
272.25278

>  <Item Name> (2,904)
Naringenin

>  <Catalog Number> (2,904)
S2394

>  <Synonyms> (2,904)
N/A

>  <Target> (2,904)
P450

>  <Form> (2,904)
Free Base

>  <URL> (2,904)
http://www.selleckchem.com/products/Naringenin.html

>  <CAS Number> (2,904)
480-41-1

$$$$
Salidroside.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    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  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  1  0  0  0
  3  8  1  1  0  0  0
  5  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  2 19  1  6  0  0  0
  4 20  1  6  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,905)
2905

>  <Formula> (2,905)
C14H20O7

>  <MolWeight> (2,905)
300.3044

>  <Item Name> (2,905)
Salidroside (Rhodioloside)

>  <Catalog Number> (2,905)
S2396

>  <Synonyms> (2,905)
Rhodioloside

>  <Target> (2,905)
Others

>  <Form> (2,905)
Free Base

>  <URL> (2,905)
http://www.selleckchem.com/products/Salidroside-Rhodioloside.html

>  <CAS Number> (2,905)
10338-51-9

$$$$
Palmatine hydrochloride.cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    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
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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  2  0  0  0  0
 14  9  1  0  0  0  0
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  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
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 17 23  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,906)
2906

>  <Formula> (2,906)
C21H22ClNO4

>  <MolWeight> (2,906)
387.85668

>  <Item Name> (2,906)
Palmatine chloride

>  <Catalog Number> (2,906)
S2397

>  <Synonyms> (2,906)
Palmatine hydrochloride

>  <Target> (2,906)
Others

>  <Form> (2,906)
Chloride

>  <URL> (2,906)
http://www.selleckchem.com/products/Palmatine-chloride.html

>  <CAS Number> (2,906)
10605-02-4

$$$$
Pramipexole.cdx
csChFnd80/10101813242D

 17 15  0  0  0  0  0  0  0  0999 V2000
    4.8329    4.2583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8329    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    4.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.9559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.4257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    4.6910    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
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M  END
>  <Mol_ID> (2,907)
2907

>  <Formula> (2,907)
C10H21Cl2N3OS

>  <MolWeight> (2,907)
302.26424

>  <Item Name> (2,907)
Pramipexole dihydrochloride monohydrate 

>  <Catalog Number> (2,907)
S2011

>  <Synonyms> (2,907)
Mirapex 

>  <Target> (2,907)
Dopamine Receptor

>  <Form> (2,907)
Dihydrochloride monohydrate

>  <URL> (2,907)
http://www.selleckchem.com/products/Pramipexole-dihydrochloride-monohydrate.html

>  <CAS Number> (2,907)
191217-81-9

$$$$
TRANCOPAL (chlormezanone).cdx
csChFnd80/10101813242D

 17 18  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
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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,908)
2908

>  <Formula> (2,908)
C11H12ClNO3S

>  <MolWeight> (2,908)
273.73588

>  <Item Name> (2,908)
Chlormezanone (Trancopal)

>  <Catalog Number> (2,908)
S2021

>  <Synonyms> (2,908)
Trancopal

>  <Target> (2,908)
Others

>  <Form> (2,908)
Free Base

>  <URL> (2,908)
http://www.selleckchem.com/products/Chlormezanone(Trancopal).html

>  <CAS Number> (2,908)
80-77-3

$$$$
ATACAND (candesartan cilexetil).cdx
csChFnd80/10101813242D

 45 50  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2803    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1477    3.8122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5803    2.4807    0.0000 N   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  1  0  0  0  0
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  5  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 21 14  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 21  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
 36 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 41  1  0  0  0  0
M  END
>  <Mol_ID> (2,909)
2909

>  <Formula> (2,909)
C33H34N6O6

>  <MolWeight> (2,909)
610.65966

>  <Item Name> (2,909)
Candesartan cilexetil (Atacand)

>  <Catalog Number> (2,909)
S2037

>  <Synonyms> (2,909)
Atacand, Amias, Blopress, Ratacand, TCV 116, TCY 116 

>  <Target> (2,909)
RAAS

>  <Form> (2,909)
Free Base

>  <URL> (2,909)
http://www.selleckchem.com/products/Candesartan-cilexetil-Atacand.html

>  <CAS Number> (2,909)
145040-37-5

$$$$
dextrose.cdx
csChFnd80/10101813242D

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    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,910)
2910

>  <Formula> (2,910)
C6H12O6

>  <MolWeight> (2,910)
180.15588

>  <Item Name> (2,910)
Dextrose (D-glucose)

>  <Catalog Number> (2,910)
S2123

>  <Synonyms> (2,910)
D-glucose, Grape sugar 

>  <Target> (2,910)
Others

>  <Form> (2,910)
Free Base

>  <URL> (2,910)
http://www.selleckchem.com/products/Dextrose(D-glucose).html

>  <CAS Number> (2,910)
50-99-7

$$$$
XYLO-PFAN (xylose).cdx
csChFnd80/10101813242D

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    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    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
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  3  8  1  6  0  0  0
  5  9  1  6  0  0  0
  4 10  1  6  0  0  0
M  END
>  <Mol_ID> (2,911)
2911

>  <Formula> (2,911)
C5H10O5

>  <MolWeight> (2,911)
150.1299

>  <Item Name> (2,911)
Xylose

>  <Catalog Number> (2,911)
S2124

>  <Synonyms> (2,911)
N/A

>  <Target> (2,911)
Others

>  <Form> (2,911)
Free Base

>  <URL> (2,911)
http://www.selleckchem.com/products/Xylose.html

>  <CAS Number> (2,911)
25990-60-7

$$$$
mestranol.cdx
csChFnd80/10101813242D

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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  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
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 11 15  1  0  0  0  0
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 12 23  1  1  0  0  0
 17 24  1  1  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
M  END
>  <Mol_ID> (2,912)
2912

>  <Formula> (2,912)
C21H26O2

>  <MolWeight> (2,912)
310.42994

>  <Item Name> (2,912)
Mestranol

>  <Catalog Number> (2,912)
S2125

>  <Synonyms> (2,912)
N/A

>  <Target> (2,912)
NULL

>  <Form> (2,912)
Free Base

>  <URL> (2,912)
http://www.selleckchem.com/products/Mestranol.html

>  <CAS Number> (2,912)
72-33-3

$$$$
S-(+)-Rolipram.cdx
csChFnd80/10101813242D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 15  4  1  6  0  0  0
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 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,913)
2913

>  <Formula> (2,913)
C16H21NO3

>  <MolWeight> (2,913)
275.34284

>  <Item Name> (2,913)
S-(+)-Rolipram

>  <Catalog Number> (2,913)
S2127

>  <Synonyms> (2,913)
N/A

>  <Target> (2,913)
PDE

>  <Form> (2,913)
Free Base

>  <URL> (2,913)
http://www.selleckchem.com/products/sRolipram.html

>  <CAS Number> (2,913)
85416-73-5

$$$$
Atropine sulfate monohydrate.cdx
csChFnd80/10101813242D

 52 54  0  0  0  0  0  0  0  0999 V2000
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    6.0668   12.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Atropine sulfate monohydrate

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Tropine 

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AChR

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Sulfate monohydrate

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http://www.selleckchem.com/products/Atropine-sulfate-monohydrate.html

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5908-99-6

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Daxas

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Free Base

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http://www.selleckchem.com/products/Roflumilast(Daxas).html

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162401-32-3

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VEGFR

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http://www.selleckchem.com/products/E7080.html

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417716-92-8

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869357-68-6

$$$$
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>  <Formula> (2,918)
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>  <MolWeight> (2,918)
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>  <Item Name> (2,918)
Biotin (Vitamin B7)

>  <Catalog Number> (2,918)
S3130

>  <Synonyms> (2,918)
N/A

>  <Target> (2,918)
Vitamin

>  <Form> (2,918)
Free Base

>  <URL> (2,918)
http://www.selleckchem.com/products/biotin-vitamin-b7.html

>  <CAS Number> (2,918)
58-85-5

$$$$
Dexamethasone acetate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,919)
2919

>  <Formula> (2,919)
C24H31FO6

>  <MolWeight> (2,919)
434.4977432

>  <Item Name> (2,919)
Dexamethasone acetate

>  <Catalog Number> (2,919)
S3124

>  <Synonyms> (2,919)
N/A

>  <Target> (2,919)
IL Receptor,Autophagy

>  <Form> (2,919)
Free Base

>  <URL> (2,919)
http://www.selleckchem.com/products/dexamethasone-acetate.html

>  <CAS Number> (2,919)
1177-87-3

$$$$
Ethynodiol diacetate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,920)
2920

>  <Formula> (2,920)
C24H32O4

>  <MolWeight> (2,920)
384.50848

>  <Item Name> (2,920)
Ethynodiol diacetate

>  <Catalog Number> (2,920)
S3160

>  <Synonyms> (2,920)
N/A 

>  <Target> (2,920)
Estrogen/progestogen Receptor

>  <Form> (2,920)
Free Base

>  <URL> (2,920)
http://www.selleckchem.com/products/ethynodiol-diacetate.html

>  <CAS Number> (2,920)
297-76-7

$$$$
Atomoxetine hydrochloride.cdx
csChFnd80/10101813242D

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2921

>  <Formula> (2,921)
C17H22ClNO

>  <MolWeight> (2,921)
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>  <Item Name> (2,921)
Atomoxetine HCl

>  <Catalog Number> (2,921)
S3175

>  <Synonyms> (2,921)
N/A 

>  <Target> (2,921)
5-HT Receptor

>  <Form> (2,921)
hydrochloride

>  <URL> (2,921)
http://www.selleckchem.com/products/atomoxetine-hydrochloride.html

>  <CAS Number> (2,921)
82248-59-7

$$$$
BRL54443.cdx
csChFnd80/10101813242D

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>  <Formula> (2,922)
C14H18N2O

>  <MolWeight> (2,922)
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BRL 54443

>  <Catalog Number> (2,922)
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>  <Synonyms> (2,922)
N/A 

>  <Target> (2,922)
5-HT Receptor

>  <Form> (2,922)
Free Base

>  <URL> (2,922)
http://www.selleckchem.com/products/brl-54443.html

>  <CAS Number> (2,922)
57477-39-1

$$$$
GSK 1292263.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,923)
2923

>  <Formula> (2,923)
C23H28N4O4S

>  <MolWeight> (2,923)
456.55782

>  <Item Name> (2,923)
GSK1292263

>  <Catalog Number> (2,923)
S2149

>  <Synonyms> (2,923)
N/A

>  <Target> (2,923)
GPR 

>  <Form> (2,923)
Free Base

>  <URL> (2,923)
http://www.selleckchem.com/products/GSK1292263.html

>  <CAS Number> (2,923)
1032823-75-8

$$$$
Methenamine.cdx
csChFnd80/10101813242D

 10 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,924)
2924

>  <Formula> (2,924)
C6H12N4

>  <MolWeight> (2,924)
140.18628

>  <Item Name> (2,924)
Methenamine (Mandelamine)

>  <Catalog Number> (2,924)
S3139

>  <Synonyms> (2,924)
N/A 

>  <Target> (2,924)
Antifection

>  <Form> (2,924)
Free Base

>  <URL> (2,924)
http://www.selleckchem.com/products/methenamine-mandelamine.html

>  <CAS Number> (2,924)
100-97-0 

$$$$
Moguisteine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,925)
2925

>  <Formula> (2,925)
C16H21NO5S

>  <MolWeight> (2,925)
339.40664

>  <Item Name> (2,925)
Moguisteine

>  <Catalog Number> (2,925)
S3104

>  <Synonyms> (2,925)
N/A 

>  <Target> (2,925)
Others

>  <Form> (2,925)
Free Base

>  <URL> (2,925)
http://www.selleckchem.com/products/moguisteine.html

>  <CAS Number> (2,925)
119637-67-1

$$$$
Nadifloxacin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,926)
2926

>  <Formula> (2,926)
C19H21FN2O4

>  <MolWeight> (2,926)
360.3794432

>  <Item Name> (2,926)
Nadifloxacin

>  <Catalog Number> (2,926)
S3105

>  <Synonyms> (2,926)
Nadixa 

>  <Target> (2,926)
Antifection

>  <Form> (2,926)
Free Base

>  <URL> (2,926)
http://www.selleckchem.com/products/nadifloxacin.html

>  <CAS Number> (2,926)
124858-35-1

$$$$
Amitriptyline hydrochloride.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.1550    1.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,927)
2927

>  <Formula> (2,927)
C20H24ClN

>  <MolWeight> (2,927)
313.86426

>  <Item Name> (2,927)
Amitriptyline HCl 

>  <Catalog Number> (2,927)
S3183

>  <Synonyms> (2,927)
N/A 

>  <Target> (2,927)
5-HT Receptor

>  <Form> (2,927)
hydrochloride

>  <URL> (2,927)
http://www.selleckchem.com/products/amitriptyline-hydrochloride.html

>  <CAS Number> (2,927)
549-18-8

$$$$
LDE225.cdx
csChFnd80/10101813242D

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M  END
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2931

>  <Formula> (2,931)
C22H31N3O6S2

>  <MolWeight> (2,931)
497.62804

>  <Item Name> (2,931)
Tebipenem pivoxil (L-084)

>  <Catalog Number> (2,931)
S2159

>  <Synonyms> (2,931)
L-084, TBPM-PI, ME1211 

>  <Target> (2,931)
Antifection

>  <Form> (2,931)
Free Base

>  <URL> (2,931)
http://www.selleckchem.com/products/Tebipenem-pivoxil(L-084).html

>  <CAS Number> (2,931)
161715-24-8

$$$$
raf265.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,932)
2932

>  <Formula> (2,932)
C24H16F6N6O

>  <MolWeight> (2,932)
518.4138592

>  <Item Name> (2,932)
RAF265 (CHIR-265)

>  <Catalog Number> (2,932)
S2161

>  <Synonyms> (2,932)
N/A 

>  <Target> (2,932)
Raf, VEGFR

>  <Form> (2,932)
Free Base

>  <URL> (2,932)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

>  <CAS Number> (2,932)
927880-90-8

$$$$

csChFnd80/10101813242D

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>  <Mol_ID> (2,933)
2933

>  <Formula> (2,933)
C24H30ClN3O5

>  <MolWeight> (2,933)
475.9651

>  <Item Name> (2,933)
ITF2357 (Givinostat)

>  <Catalog Number> (2,933)
S2170

>  <Synonyms> (2,933)
N/A 

>  <Target> (2,933)
HDAC 

>  <Form> (2,933)
Chloride

>  <URL> (2,933)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (2,933)
732302-99-7

$$$$
Daphnetin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,934)
2934

>  <Formula> (2,934)
C9H6O4

>  <MolWeight> (2,934)
178.14154

>  <Item Name> (2,934)
Daphnetin

>  <Catalog Number> (2,934)
S2554 

>  <Synonyms> (2,934)
N/A 

>  <Target> (2,934)
DNA/RNA Synthesis

>  <Form> (2,934)
Free Base

>  <URL> (2,934)
http://www.selleckchem.com/products/Daphnetin.html

>  <CAS Number> (2,934)
486-35-1

$$$$
Cyclophosphamide monohydrate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,935)
2935

>  <Formula> (2,935)
C7H17Cl2N2O3P

>  <MolWeight> (2,935)
279.101241

>  <Item Name> (2,935)
Cyclophosphamide monohydrate

>  <Catalog Number> (2,935)
S2057

>  <Synonyms> (2,935)
N/A

>  <Target> (2,935)
DNA alkylator

>  <Form> (2,935)
Monohydrate

>  <URL> (2,935)
http://www.selleckchem.com/products/cyclophosphamide-monohydrate.html

>  <CAS Number> (2,935)
6055-19-2

$$$$
AG14361.cdx
csChFnd80/10101813242D

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PARP

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Free Base

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http://www.selleckchem.com/products/AG14361.html

>  <CAS Number> (2,936)
328543-09-5

$$$$
LY2784544.cdx
csChFnd80/10101813242D

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C23H25ClFN7O

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Gandotinib (LY2784544)

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N/A

>  <Target> (2,937)
JAK 

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Free Base

>  <URL> (2,937)
http://www.selleckchem.com/products/LY2784544.html

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1229236-86-5

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/10101813242D

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2938

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C19H19ClN2

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310.82056

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Desloratadine 

>  <Catalog Number> (2,938)
S4012

>  <Synonyms> (2,938)
N/A

>  <Target> (2,938)
Histamine Receptor

>  <Form> (2,938)
Free Base

>  <URL> (2,938)
http://www.selleckchem.com/products/desloratadine.html

>  <CAS Number> (2,938)
100643-71-8

$$$$
Ornidazole.cdx
csChFnd80/10101813242D

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>  <Formula> (2,939)
C7H10ClN3O3

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S3121

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N/A 

>  <Target> (2,939)
Antifection

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Free Base

>  <URL> (2,939)
http://www.selleckchem.com/products/ornidazole.html

>  <CAS Number> (2,939)
16773-42-5

$$$$
Oxybutynin chloride.cdx
csChFnd80/10101813242D

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2940

>  <Formula> (2,940)
C22H32ClNO3

>  <MolWeight> (2,940)
393.94738

>  <Item Name> (2,940)
Oxybutynin chloride

>  <Catalog Number> (2,940)
S3117

>  <Synonyms> (2,940)
N/A 

>  <Target> (2,940)
AChR

>  <Form> (2,940)
Chloride

>  <URL> (2,940)
http://www.selleckchem.com/products/oxybutynin-chloride.html

>  <CAS Number> (2,940)
1508-65-2

$$$$
MLN9708.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,941)
2941

>  <Formula> (2,941)
C20H23BCl2N2O9

>  <MolWeight> (2,941)
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>  <Item Name> (2,941)
Ixazomib Citrate (MLN9708)

>  <Catalog Number> (2,941)
S2181

>  <Synonyms> (2,941)
N/A

>  <Target> (2,941)
Proteasome

>  <Form> (2,941)
Free Base

>  <URL> (2,941)
http://www.selleckchem.com/products/MLN9708.html

>  <CAS Number> (2,941)
1201902-80-8

$$$$
SB743921.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,942)
2942

>  <Formula> (2,942)
C31H34Cl2N2O3

>  <MolWeight> (2,942)
553.51926

>  <Item Name> (2,942)
SB743921 HCl

>  <Catalog Number> (2,942)
S2182 

>  <Synonyms> (2,942)
N/A

>  <Target> (2,942)
Kinesin

>  <Form> (2,942)
Hydrochloride

>  <URL> (2,942)
http://www.selleckchem.com/products/SB-743921.html

>  <CAS Number> (2,942)
940929-33-9

$$$$
ivermectin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,943)
2943

>  <Formula> (2,943)
C48H74O14

>  <MolWeight> (2,943)
875.09276

>  <Item Name> (2,943)
Ivermectin

>  <Catalog Number> (2,943)
S1351

>  <Synonyms> (2,943)
Stromectol

>  <Target> (2,943)
Antifection

>  <Form> (2,943)
Free Base

>  <URL> (2,943)
http://www.selleckchem.com/products/Ivermectin.html

>  <CAS Number> (2,943)
70288-86-7

$$$$
AVC (sulfanilamide).cdx
csChFnd80/10101813242D

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Free Base

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940310-85-0

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CP-473420 

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EGFR

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183320-51-6

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PI3K

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Free Base

>  <URL> (2,954)
http://www.selleckchem.com/products/PIK-293.html

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900185-01-5 

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Aromatase 

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Free Base

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Irinotecan HCl Trihydrate (Campto)

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S2217 

>  <Synonyms> (2,959)
CPT 11, Camptosar, Campto, Irinotecan 

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Topoisomerase

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HCl & trihydrat

>  <URL> (2,959)
http://www.selleckchem.com/products/Irinotecan-Hcl-Trihydrate-Campto.html

>  <CAS Number> (2,959)
136572-09-3

$$$$
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Torkinib (PP242)

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S2218

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TORKinib 

>  <Target> (2,960)
mTOR

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Free Base

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http://www.selleckchem.com/products/PP242.html

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1092351-67-1

$$$$
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csChFnd80/10101813242D

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C23H22N6O2

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Momelotinib (CYT387)

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S2219

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CYT 11387 

>  <Target> (2,961)
JAK 

>  <Form> (2,961)
Free Base

>  <URL> (2,961)
http://www.selleckchem.com/products/Cyt387.html

>  <CAS Number> (2,961)
1056634-68-4

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csChFnd80/10101813242D

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Raf

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Free Base

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http://www.selleckchem.com/products/SB590885.html

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405554-55-4 

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EGCG

>  <Target> (2,963)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (2,963)
Free Base

>  <URL> (2,963)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

>  <CAS Number> (2,963)
989-51-5

$$$$
(+)-Usniacin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,964)
2964

>  <Formula> (2,964)
C18H16O7

>  <MolWeight> (2,964)
344.31544

>  <Item Name> (2,964)
(+)-Usniacin (D-Usnic acid)

>  <Catalog Number> (2,964)
S2252

>  <Synonyms> (2,964)
D-Usnic acid

>  <Target> (2,964)
Others

>  <Form> (2,964)
Free Base

>  <URL> (2,964)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

>  <CAS Number> (2,964)
7562-61-0

$$$$
3-Indolebutyric acid.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,965)
2965

>  <Formula> (2,965)
C12H13NO2

>  <MolWeight> (2,965)
203.23712

>  <Item Name> (2,965)
3-Indolebutyric acid (IBA)

>  <Catalog Number> (2,965)
S2253

>  <Synonyms> (2,965)
IBA

>  <Target> (2,965)
Others

>  <Form> (2,965)
Free Base

>  <URL> (2,965)
http://www.selleckchem.com/products/3-Indolebutyric-acid(IBA).html

>  <CAS Number> (2,965)
133-32-4

$$$$
4-Methylumbelliferone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,966)
2966

>  <Formula> (2,966)
C10H8O3

>  <MolWeight> (2,966)
176.16872

>  <Item Name> (2,966)
4-Methylumbelliferone (4-MU)

>  <Catalog Number> (2,966)
S2256

>  <Synonyms> (2,966)
4-MU

>  <Target> (2,966)
Others

>  <Form> (2,966)
Free Base

>  <URL> (2,966)
http://www.selleckchem.com/products/4-Methylumbelliferone(4-MU).html

>  <CAS Number> (2,966)
90-33-5

$$$$
AESCULIN.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,967)
2967

>  <Formula> (2,967)
C15H16O9

>  <MolWeight> (2,967)
340.28214

>  <Item Name> (2,967)
Aesculin (Esculin)

>  <Catalog Number> (2,967)
S2258

>  <Synonyms> (2,967)
Esculin

>  <Target> (2,967)
Others

>  <Form> (2,967)
Free Base

>  <URL> (2,967)
http://www.selleckchem.com/products/Aesculin(Esculin).html

>  <CAS Number> (2,967)
531-75-9

$$$$
Amygdalin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (2,968)
2968

>  <Formula> (2,968)
C20H27NO11

>  <MolWeight> (2,968)
457.42848

>  <Item Name> (2,968)
Amygdalin

>  <Catalog Number> (2,968)
S2260

>  <Synonyms> (2,968)
N/A

>  <Target> (2,968)
Others

>  <Form> (2,968)
Free Base

>  <URL> (2,968)
http://www.selleckchem.com/products/Amygdalin.html

>  <CAS Number> (2,968)
29883-15-6

$$$$
Andrographolide.cdx
csChFnd80/10101813242D

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5508-58-7

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Apigenin.cdx
csChFnd80/10101813242D

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Apigenin

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N/A

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Free Base

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520-36-5

$$$$
Arbutin.cdx
csChFnd80/10101813242D

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Uva, Ursi, p-Arbutin, Hydroquinone ¦Â-D-glucopyranoside 

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Estrogen/progestogen Receptor

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Free Base

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http://www.selleckchem.com/products/Arbutin(Uva,-p-Arbutin).html

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497-76-7

$$$$
Ipriflavone.cdx
csChFnd80/10101813242D

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C18H16O3

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Ipriflavone

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S2422 

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N/A 

>  <Target> (2,972)
Others

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Free Base

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

>  <CAS Number> (2,972)
35212-22-7

$$$$
Asiatic acid.cdx
csChFnd80/10101813242D

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N/A

>  <Target> (2,973)
p38 MAPK

>  <Form> (2,973)
Free Base

>  <URL> (2,973)
http://www.selleckchem.com/products/Asiatic-acid.html

>  <CAS Number> (2,973)
464-92-6

$$$$
Baicalein.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,978)
2978

>  <Formula> (2,978)
C24H33ClN4O6

>  <MolWeight> (2,978)
508.99502

>  <Item Name> (2,978)
Belnacasan (VX-765)

>  <Catalog Number> (2,978)
S2228

>  <Synonyms> (2,978)
N/A

>  <Target> (2,978)
Caspase

>  <Form> (2,978)
Free Base

>  <URL> (2,978)
http://www.selleckchem.com/products/VX-765.html

>  <CAS Number> (2,978)
273404-37-8

$$$$
Bengenin.cdx
csChFnd80/10101813242D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,979)
2979

>  <Formula> (2,979)
C14H16O9

>  <MolWeight> (2,979)
328.27144

>  <Item Name> (2,979)
Bergenin (Cuscutin)

>  <Catalog Number> (2,979)
S2270

>  <Synonyms> (2,979)
Cuscutin

>  <Target> (2,979)
Others

>  <Form> (2,979)
Free Base

>  <URL> (2,979)
http://www.selleckchem.com/products/Bergenin-(Cuscutin).html

>  <CAS Number> (2,979)
477-90-7

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,980)
2980

>  <Formula> (2,980)
C20H18ClNO4

>  <MolWeight> (2,980)
371.81422

>  <Item Name> (2,980)
Berberine chloride

>  <Catalog Number> (2,980)
S2271

>  <Synonyms> (2,980)
N/A

>  <Target> (2,980)
Antifection

>  <Form> (2,980)
chloride

>  <URL> (2,980)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

>  <CAS Number> (2,980)
633-65-8

$$$$
Bilobalide.cdx
csChFnd80/10101813242D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.2921    5.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,981)
2981

>  <Formula> (2,981)
C15H18O8

>  <MolWeight> (2,981)
326.29862

>  <Item Name> (2,981)
Bilobalide

>  <Catalog Number> (2,981)
S2276

>  <Synonyms> (2,981)
N/A

>  <Target> (2,981)
Others

>  <Form> (2,981)
Free Base

>  <URL> (2,981)
http://www.selleckchem.com/products/Bilobalide.html

>  <CAS Number> (2,981)
33570-04-6

$$$$
Caffeic acid.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,982)
2982

>  <Formula> (2,982)
C9H8O4

>  <MolWeight> (2,982)
180.15742

>  <Item Name> (2,982)
Caffeic acid

>  <Catalog Number> (2,982)
S2277

>  <Synonyms> (2,982)
N/A

>  <Target> (2,982)
Others

>  <Form> (2,982)
Free Base

>  <URL> (2,982)
http://www.selleckchem.com/products/Caffeic-acid.html

>  <CAS Number> (2,982)
331-39-5

$$$$
Chlorogenic acid.cdx
csChFnd80/10101813242D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,983)
2983

>  <Formula> (2,983)
C16H18O9

>  <MolWeight> (2,983)
354.30872

>  <Item Name> (2,983)
Chlorogenic acid

>  <Catalog Number> (2,983)
S2280

>  <Synonyms> (2,983)
N/A

>  <Target> (2,983)
Others

>  <Form> (2,983)
Free Base

>  <URL> (2,983)
http://www.selleckchem.com/products/Chlorogenic-acid.html

>  <CAS Number> (2,983)
327-97-9

$$$$
Chrysin.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
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  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
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M  END
>  <Mol_ID> (2,984)
2984

>  <Formula> (2,984)
C15H10O4

>  <MolWeight> (2,984)
254.2375

>  <Item Name> (2,984)
Chrysin

>  <Catalog Number> (2,984)
S2281

>  <Synonyms> (2,984)
N/A

>  <Target> (2,984)
Others

>  <Form> (2,984)
Free Base

>  <URL> (2,984)
http://www.selleckchem.com/products/Chrysin.html

>  <CAS Number> (2,984)
480-40-0

$$$$
Cinchonidine.cdx
csChFnd80/10101813242D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,985)
2985

>  <Formula> (2,985)
C19H22N2O

>  <MolWeight> (2,985)
294.39078

>  <Item Name> (2,985)
Cinchonidine

>  <Catalog Number> (2,985)
S2282

>  <Synonyms> (2,985)
N/A

>  <Target> (2,985)
Antifection

>  <Form> (2,985)
Free Base

>  <URL> (2,985)
http://www.selleckchem.com/products/Cinchonidine.html

>  <CAS Number> (2,985)
485-71-2

$$$$
Cryptotanshinone.cdx
csChFnd80/10101813242D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  1  0  0  0  0
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 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
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 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (2,986)
2986

>  <Formula> (2,986)
C19H20O3

>  <MolWeight> (2,986)
296.3603

>  <Item Name> (2,986)
Cryptotanshinone

>  <Catalog Number> (2,986)
S2285 

>  <Synonyms> (2,986)
N/A

>  <Target> (2,986)
STAT

>  <Form> (2,986)
Free Base

>  <URL> (2,986)
http://www.selleckchem.com/products/Cryptotanshinone.html

>  <CAS Number> (2,986)
35825-57-1

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/10101813242D

 28 29  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (2,987)
2987

>  <Formula> (2,987)
C20H25ClN2O5

>  <MolWeight> (2,987)
408.8759

>  <Item Name> (2,987)
Amlodipine (Norvasc)

>  <Catalog Number> (2,987)
S1905

>  <Synonyms> (2,987)
Istin, Norvasc, Caduet

>  <Target> (2,987)
Calcium Channel

>  <Form> (2,987)
Free Base

>  <URL> (2,987)
http://www.selleckchem.com/products/Amlodipine(Norvasc).html

>  <CAS Number> (2,987)
88150-42-9

$$$$
Cyclosporin A.cdx
csChFnd80/10101813242D

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   18.1992    0.7049    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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M  END
>  <Mol_ID> (2,988)
2988

>  <Formula> (2,988)
C62H111N11O12

>  <MolWeight> (2,988)
1202.61124

>  <Item Name> (2,988)
Cyclosporin A

>  <Catalog Number> (2,988)
S2286

>  <Synonyms> (2,988)
Cyclosporine A

>  <Target> (2,988)
phosphatase

>  <Form> (2,988)
Free Base

>  <URL> (2,988)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

>  <CAS Number> (2,988)
59865-13-3

$$$$
Cytisine.cdx
csChFnd80/10101813242D

 14 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (2,989)
2989

>  <Formula> (2,989)
C11H14N2O

>  <MolWeight> (2,989)
190.24166

>  <Item Name> (2,989)
Cytisine

>  <Catalog Number> (2,989)
S2287

>  <Synonyms> (2,989)
Baphitoxine,Sophorine

>  <Target> (2,989)
AChR

>  <Form> (2,989)
Free Base

>  <URL> (2,989)
http://www.selleckchem.com/products/Cytisine(Baphitoxine,-Sophorine).html

>  <CAS Number> (2,989)
485-35-8 

$$$$
dihydroartemisinin.cdx
csChFnd80/10101813242D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,990)
2990

>  <Formula> (2,990)
C15H24O5

>  <MolWeight> (2,990)
284.34806

>  <Item Name> (2,990)
Dihydroartemisinin (DHA)

>  <Catalog Number> (2,990)
S2290

>  <Synonyms> (2,990)
N/A 

>  <Target> (2,990)
Others

>  <Form> (2,990)
Free Base

>  <URL> (2,990)
http://www.selleckchem.com/products/Dihydroartemisinin(DHA).html

>  <CAS Number> (2,990)
71939-50-9

$$$$
DL-Carnitine hydrochloride.cdx
csChFnd80/10101813242D

 12 10  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.2337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.9313    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2578    2.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0797    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,991)
2991

>  <Formula> (2,991)
C7H16ClNO3

>  <MolWeight> (2,991)
197.65984

>  <Item Name> (2,991)
DL-Carnitine hydrochloride

>  <Catalog Number> (2,991)
S2293

>  <Synonyms> (2,991)
N/A

>  <Target> (2,991)
Others

>  <Form> (2,991)
Hydrochloride

>  <URL> (2,991)
http://www.selleckchem.com/products/DL-Carnitine-hydrochloride.html

>  <CAS Number> (2,991)
461-05-2

$$$$
Emodin.cdx
csChFnd80/10101813242D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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 14  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,992)
2992

>  <Formula> (2,992)
C15H10O5

>  <MolWeight> (2,992)
270.2369

>  <Item Name> (2,992)
Emodin

>  <Catalog Number> (2,992)
S2295

>  <Synonyms> (2,992)
N/A

>  <Target> (2,992)
Dehydrogenase

>  <Form> (2,992)
Free Base

>  <URL> (2,992)
http://www.selleckchem.com/products/Emodin.html

>  <CAS Number> (2,992)
518-82-1

$$$$
Enoxolone.cdx
csChFnd80/10101813242D

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 18 27  1  1  0  0  0
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  2 29  1  6  0  0  0
  3 30  1  0  0  0  0
  4 31  1  6  0  0  0
 10 32  1  6  0  0  0
 11 33  1  6  0  0  0
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 21 35  1  1  0  0  0
 14 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  2  0  0  0  0
M  END
>  <Mol_ID> (2,993)
2993

>  <Formula> (2,993)
C30H46O4

>  <MolWeight> (2,993)
470.68384

>  <Item Name> (2,993)
Enoxolone (Glycyrrhetin)

>  <Catalog Number> (2,993)
S2296

>  <Synonyms> (2,993)
Glycyrrhetin, Uralenic acid 

>  <Target> (2,993)
Dehydrogenase

>  <Form> (2,993)
Free Base

>  <URL> (2,993)
http://www.selleckchem.com/products/Enoxolone(Glycyrrhetin).html

>  <CAS Number> (2,993)
471-53-4

$$$$
10-Hydroxycamptothecin.cdx
csChFnd80/10101813242D

 27 31  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
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    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  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2123    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,994)
2994

>  <Formula> (2,994)
C20H16N2O5

>  <MolWeight> (2,994)
364.35144

>  <Item Name> (2,994)
10-Hydroxycamptothecin

>  <Catalog Number> (2,994)
S2423 

>  <Synonyms> (2,994)
N/A 

>  <Target> (2,994)
Topoisomerase

>  <Form> (2,994)
Free Base

>  <URL> (2,994)
http://www.selleckchem.com/products/10-hydroxycamptothecin.html

>  <CAS Number> (2,994)
19685-09-7

$$$$
Fisetin.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,995)
2995

>  <Formula> (2,995)
C15H10O6

>  <MolWeight> (2,995)
286.2363

>  <Item Name> (2,995)
Fisetin (Fustel)

>  <Catalog Number> (2,995)
S2298

>  <Synonyms> (2,995)
Fustel, Viset

>  <Target> (2,995)
Sirtuin

>  <Form> (2,995)
Free Base

>  <URL> (2,995)
http://www.selleckchem.com/products/Fisetin(Fustel).html

>  <CAS Number> (2,995)
528-48-3

$$$$
Formononetin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,996)
2996

>  <Formula> (2,996)
C16H12O4

>  <MolWeight> (2,996)
268.26408

>  <Item Name> (2,996)
Formononetin (Formononetol)

>  <Catalog Number> (2,996)
S2299

>  <Synonyms> (2,996)
Biochanin B, Formononetol 

>  <Target> (2,996)
Others

>  <Form> (2,996)
Free Base

>  <URL> (2,996)
http://www.selleckchem.com/products/Formononetin(Formononetol).html

>  <CAS Number> (2,996)
485-72-3

$$$$
Fumalic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,997)
2997

>  <Formula> (2,997)
C10H10O4

>  <MolWeight> (2,997)
194.184

>  <Item Name> (2,997)
Fumalic acid (Ferulic acid)

>  <Catalog Number> (2,997)
S2300

>  <Synonyms> (2,997)
Ferulic acid

>  <Target> (2,997)
Others

>  <Form> (2,997)
Free Base

>  <URL> (2,997)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

>  <CAS Number> (2,997)
1135-24-6

$$$$
Glycyrrhizic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (2,998)
2998

>  <Formula> (2,998)
C42H62O16

>  <MolWeight> (2,998)
822.93208

>  <Item Name> (2,998)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Catalog Number> (2,998)
S2302

>  <Synonyms> (2,998)
N/A

>  <Target> (2,998)
Others

>  <Form> (2,998)
Free Base

>  <URL> (2,998)
http://www.selleckchem.com/products/Glycyrrhizic-acid.html

>  <CAS Number> (2,998)
1405-86-3

$$$$
Gramine.cdx
csChFnd80/10101813242D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,999)
2999

>  <Formula> (2,999)
C11H14N2

>  <MolWeight> (2,999)
174.24226

>  <Item Name> (2,999)
Gramine

>  <Catalog Number> (2,999)
S2304

>  <Synonyms> (2,999)
N/A

>  <Target> (2,999)
Others

>  <Form> (2,999)
Free Base

>  <URL> (2,999)
http://www.selleckchem.com/products/Gramine.html

>  <CAS Number> (2,999)
87-52-5

$$$$

csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,000)
3000

>  <Formula> (3,000)
C47H80O17

>  <MolWeight> (3,000)
917.1279

>  <Item Name> (3,000)
Gynostemma Extract

>  <Catalog Number> (3,000)
S2306

>  <Synonyms> (3,000)
N/A

>  <Target> (3,000)
Others

>  <Form> (3,000)
Free Base

>  <URL> (3,000)
http://www.selleckchem.com/products/Gynostemma-Extract.html

>  <CAS Number> (3,000)
80321-63-7 

$$$$
Rotundine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,001)
3001

>  <Formula> (3,001)
C21H25NO4

>  <MolWeight> (3,001)
355.4275

>  <Item Name> (3,001)
Rotundine

>  <Catalog Number> (3,001)
S2437

>  <Synonyms> (3,001)
N/A 

>  <Target> (3,001)
Dopamine Receptor

>  <Form> (3,001)
Free Base

>  <URL> (3,001)
http://www.selleckchem.com/products/rotundine.html

>  <CAS Number> (3,001)
483-14-7

$$$$
Tolbutamide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,002)
3002

>  <Formula> (3,002)
C12H18N2O3S

>  <MolWeight> (3,002)
270.34792

>  <Item Name> (3,002)
Tolbutamide

>  <Catalog Number> (3,002)
S2443 

>  <Synonyms> (3,002)
N/A 

>  <Target> (3,002)
Potassium Channel 

>  <Form> (3,002)
Free Base

>  <URL> (3,002)
http://www.selleckchem.com/products/tolbutamide.html

>  <CAS Number> (3,002)
64-77-7

$$$$
Hesperetin.cdx
csChFnd80/10101813242D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,003)
3003

>  <Formula> (3,003)
C16H14O6

>  <MolWeight> (3,003)
302.27876

>  <Item Name> (3,003)
Hesperetin

>  <Catalog Number> (3,003)
S2308

>  <Synonyms> (3,003)
N/A

>  <Target> (3,003)
Histamine Receptor

>  <Form> (3,003)
Free Base

>  <URL> (3,003)
http://www.selleckchem.com/products/Hesperetin.html

>  <CAS Number> (3,003)
520-33-2

$$$$
Hesperidin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,004)
3004

>  <Formula> (3,004)
C28H34O15

>  <MolWeight> (3,004)
610.56056

>  <Item Name> (3,004)
Hesperidin

>  <Catalog Number> (3,004)
S2309

>  <Synonyms> (3,004)
N/A

>  <Target> (3,004)
NULL

>  <Form> (3,004)
Free Base

>  <URL> (3,004)
http://www.selleckchem.com/products/Hesperidin.html

>  <CAS Number> (3,004)
520-26-3

$$$$
Honokiol.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,005)
3005

>  <Formula> (3,005)
C18H18O2

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>  <Item Name> (3,005)
Honokiol

>  <Catalog Number> (3,005)
S2310

>  <Synonyms> (3,005)
N/A

>  <Target> (3,005)
Akt, MEK

>  <Form> (3,005)
Free Base

>  <URL> (3,005)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (3,005)
35354-74-6

$$$$
Hyodeoxycholic acid.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,006)
3006

>  <Formula> (3,006)
C24H40O4

>  <MolWeight> (3,006)
392.572

>  <Item Name> (3,006)
Hyodeoxycholic acid (HDCA)

>  <Catalog Number> (3,006)
S2311

>  <Synonyms> (3,006)
3¦Á,6¦Á-Dihydroxy-5¦Â-cholan-24-oic acid, HDCA 

>  <Target> (3,006)
Others

>  <Form> (3,006)
Free Base

>  <URL> (3,006)
http://www.selleckchem.com/products/Hyodeoxycholic-acid(HDCA).html

>  <CAS Number> (3,006)
83-49-8

$$$$
Icariin.cdx
csChFnd80/10101813242D

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3007

>  <Formula> (3,007)
C33H40O15

>  <MolWeight> (3,007)
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>  <Item Name> (3,007)
Icariin

>  <Catalog Number> (3,007)
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>  <Synonyms> (3,007)
N/A

>  <Target> (3,007)
PDE

>  <Form> (3,007)
Free Base

>  <URL> (3,007)
http://www.selleckchem.com/products/Icariin.html

>  <CAS Number> (3,007)
489-32-7

$$$$
Indole-3-carbinol.cdx
csChFnd80/10101813242D

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3008

>  <Formula> (3,008)
C9H9NO

>  <MolWeight> (3,008)
147.17386

>  <Item Name> (3,008)
Indole-3-carbinol

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>  <Synonyms> (3,008)
N/A

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NF-¦ÊB

>  <Form> (3,008)
Free Base

>  <URL> (3,008)
http://www.selleckchem.com/products/Indole-3-carbinol.html

>  <CAS Number> (3,008)
700-06-1

$$$$
Kaempferol.cdx
csChFnd80/10101813242D

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    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3 19  1  0  0  0  0
  7 20  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,009)
3009

>  <Formula> (3,009)
C15H10O6

>  <MolWeight> (3,009)
286.2363

>  <Item Name> (3,009)
Kaempferol

>  <Catalog Number> (3,009)
S2314

>  <Synonyms> (3,009)
N/A

>  <Target> (3,009)
Estrogen/progestogen Receptor modulator

>  <Form> (3,009)
Free Base

>  <URL> (3,009)
http://www.selleckchem.com/products/Kaempferol.html

>  <CAS Number> (3,009)
520-18-3

$$$$
Kinetin.cdx
csChFnd80/10101813242D

 16 18  0  0  0  0  0  0  0  0999 V2000
    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
    0.0000    2.1000    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    7.1180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7249    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    7.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,010)
3010

>  <Formula> (3,010)
C10H9N5O

>  <MolWeight> (3,010)
215.21136

>  <Item Name> (3,010)
Kinetin (6-Furfuryladenine)

>  <Catalog Number> (3,010)
S2316

>  <Synonyms> (3,010)
6-Furfuryladenine, N6-Furfuryladenine, 6-Furfurylaminopurine,Cytokinin 

>  <Target> (3,010)
Others

>  <Form> (3,010)
Free Base

>  <URL> (3,010)
http://www.selleckchem.com/products/Kinetin(6-Furfuryladenine).html

>  <CAS Number> (3,010)
525-79-1

$$$$
L(+)-Rhamnose Monohydrate.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.3951    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4951    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.3976    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4472    0.5977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
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  3  8  1  6  0  0  0
  2  9  1  6  0  0  0
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  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,011)
3011

>  <Formula> (3,011)
C6H14O6

>  <MolWeight> (3,011)
182.17176

>  <Item Name> (3,011)
L (+)-Rhamnose Monohydrate

>  <Catalog Number> (3,011)
S2317

>  <Synonyms> (3,011)
N/A

>  <Target> (3,011)
Others

>  <Form> (3,011)
Monohydrate

>  <URL> (3,011)
http://www.selleckchem.com/products/L(+)-Rhamnose-Monohydrate.html

>  <CAS Number> (3,011)
10030-85-0 

$$$$
Limonin.cdx
csChFnd80/10101813242D

 37 43  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 20 21  1  0  0  0  0
 10 22  1  1  0  0  0
  5 23  1  1  0  0  0
  6 23  1  1  0  0  0
  1 24  2  0  0  0  0
 14 25  2  0  0  0  0
 12 26  1  6  0  0  0
  9 27  1  6  0  0  0
  4 28  1  6  0  0  0
  3 29  1  6  0  0  0
 29 30  2  0  0  0  0
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 19 35  2  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END
>  <Mol_ID> (3,012)
3012

>  <Formula> (3,012)
C26H30O8

>  <MolWeight> (3,012)
470.5116

>  <Item Name> (3,012)
Limonin

>  <Catalog Number> (3,012)
S2319

>  <Synonyms> (3,012)
N/A

>  <Target> (3,012)
Others

>  <Form> (3,012)
Free Base

>  <URL> (3,012)
http://www.selleckchem.com/products/Limonin.html

>  <CAS Number> (3,012)
1180-71-8

$$$$
Luteolin.cdx
csChFnd80/10101813242D

 21 23  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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M  END
>  <Mol_ID> (3,013)
3013

>  <Formula> (3,013)
C15H10O6

>  <MolWeight> (3,013)
286.2363

>  <Item Name> (3,013)
Luteolin

>  <Catalog Number> (3,013)
S2320

>  <Synonyms> (3,013)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (3,013)
PDE

>  <Form> (3,013)
Free Base

>  <URL> (3,013)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

>  <CAS Number> (3,013)
491-70-3 

$$$$
Magnolol.cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,014)
3014

>  <Formula> (3,014)
C18H18O2

>  <MolWeight> (3,014)
266.33432

>  <Item Name> (3,014)
Magnolol

>  <Catalog Number> (3,014)
S2321

>  <Synonyms> (3,014)
2,2'-Bichavicol

>  <Target> (3,014)
NF-¦ÊB

>  <Form> (3,014)
Free Base

>  <URL> (3,014)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

>  <CAS Number> (3,014)
528-43-8

$$$$
matrine.cdx
csChFnd80/10101813242D

 22 25  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
    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
    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  2  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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   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
    4.8497    4.9000    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    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 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  2  0  0  0  0
  6 19  1  6  0  0  0
 10 20  1  6  0  0  0
 11 21  1  1  0  0  0
  5 22  1  6  0  0  0
M  END
>  <Mol_ID> (3,015)
3015

>  <Formula> (3,015)
C15H24N2O

>  <MolWeight> (3,015)
248.36386

>  <Item Name> (3,015)
Matrine ((+)-Matrine)

>  <Catalog Number> (3,015)
S2322

>  <Synonyms> (3,015)
(+)-Matrine

>  <Target> (3,015)
Opioid Receptor

>  <Form> (3,015)
Free Base

>  <URL> (3,015)
http://www.selleckchem.com/products/Matrine((+)-Matrine).html

>  <CAS Number> (3,015)
519-02-8 

$$$$
Morin.cdx
csChFnd80/10101813242D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.9819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.9819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1659    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
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,016)
3016

>  <Formula> (3,016)
C15H12O8

>  <MolWeight> (3,016)
320.25098

>  <Item Name> (3,016)
Morin hydrate (Aurantica)

>  <Catalog Number> (3,016)
S2325

>  <Synonyms> (3,016)
N/A

>  <Target> (3,016)
Others

>  <Form> (3,016)
Hydrate

>  <URL> (3,016)
http://www.selleckchem.com/products/Morin-hydrate(Aurantica).html

>  <CAS Number> (3,016)
6202-27-3

$$$$
Myricetin.cdx
csChFnd80/10101813242D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,017)
3017

>  <Formula> (3,017)
C15H10O8

>  <MolWeight> (3,017)
318.2351

>  <Item Name> (3,017)
Myricetin (Cannabiscetin)

>  <Catalog Number> (3,017)
S2326

>  <Synonyms> (3,017)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (3,017)
NULL

>  <Form> (3,017)
Free Base

>  <URL> (3,017)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

>  <CAS Number> (3,017)
529-44-2

$$$$
Myricitrin.cdx
csChFnd80/10101813242D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (3,018)
3018

>  <Formula> (3,018)
C21H20O12

>  <MolWeight> (3,018)
464.3763

>  <Item Name> (3,018)
Myricitrin (Myricitrine)

>  <Catalog Number> (3,018)
S2327

>  <Synonyms> (3,018)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (3,018)
PKC

>  <Form> (3,018)
Free Base

>  <URL> (3,018)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

>  <CAS Number> (3,018)
17912-87-7

$$$$
Nalidixic acid.cdx
csChFnd80/10101813242D

 17 18  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
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 N   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
    3.6289    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 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
  1  2  2  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
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,019)
3019

>  <Formula> (3,019)
C12H12N2O3

>  <MolWeight> (3,019)
232.23528

>  <Item Name> (3,019)
Nalidixic acid (NegGram)

>  <Catalog Number> (3,019)
S2328

>  <Synonyms> (3,019)
NegGram, Nevigramon, Nalidixin, Uronidix 

>  <Target> (3,019)
Topoisomerase

>  <Form> (3,019)
Free Base

>  <URL> (3,019)
http://www.selleckchem.com/products/Nalidixic-acid(NegGram).html

>  <CAS Number> (3,019)
389-08-2

$$$$
Naringin.cdx
csChFnd80/10101813242D

 41 45  0  0  0  0  0  0  0  0999 V2000
    6.1009    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1009    7.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134    7.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5258    7.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5258    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382    7.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9507    7.9680    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9507    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382   11.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589    5.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3713    5.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5838    5.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5838    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3713    7.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7920    5.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    7.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7927    6.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7927    3.6331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8927    4.8455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8927    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0927    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.6976    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    4.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0538    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 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  1  0  0  0
 10 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  6 18  1  0  0  0  0
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
 21 20  1  1  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 21  1  0  0  0  0
 25 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 26 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
 23 35  1  1  0  0  0
 32 36  1  1  0  0  0
 31 37  1  6  0  0  0
 34 38  1  6  0  0  0
 33 39  1  6  0  0  0
 24 40  1  6  0  0  0
 35 41  1  0  0  0  0
M  END
>  <Mol_ID> (3,020)
3020

>  <Formula> (3,020)
C27H32O14

>  <MolWeight> (3,020)
580.53458

>  <Item Name> (3,020)
Naringin (Naringoside)

>  <Catalog Number> (3,020)
S2329

>  <Synonyms> (3,020)
Naringoside, Naringenine-7-rhamnosidoglucoside 

>  <Target> (3,020)
P450 (e.g. CYP17)

>  <Form> (3,020)
Free Base

>  <URL> (3,020)
http://www.selleckchem.com/products/Naringin(Naringoside).html

>  <CAS Number> (3,020)
10236-47-2 

$$$$
Neohesperidin dihydrochalcone.cdx
csChFnd80/10101813242D

 43 46  0  0  0  0  0  0  0  0999 V2000
    8.4828    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    7.6951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  1  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
    4.8455    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  1  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331   10.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1201    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3906    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6030    6.2976    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
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19  2  1  0  0  0  0
 17 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 18  1  0  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 23 27  1  6  0  0  0
 25 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 26  1  0  0  0  0
 20 32  1  1  0  0  0
 22 33  1  1  0  0  0
 28 34  1  1  0  0  0
 30 35  1  1  0  0  0
 21 36  1  6  0  0  0
 29 37  1  6  0  0  0
 32 38  1  0  0  0  0
  6 39  1  0  0  0  0
  9 40  2  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <Mol_ID> (3,021)
3021

>  <Formula> (3,021)
C28H36O15

>  <MolWeight> (3,021)
612.57644

>  <Item Name> (3,021)
Neohesperidin dihydrochalcone (Nhdc)

>  <Catalog Number> (3,021)
S2331

>  <Synonyms> (3,021)
Nhdc, Neohesperidin dc, Neohesperidin dhc 

>  <Target> (3,021)
Others

>  <Form> (3,021)
Free Base

>  <URL> (3,021)
http://www.selleckchem.com/products/Neohesperidin-dihydrochalcone(Nhdc).html

>  <CAS Number> (3,021)
20702-77-6 

$$$$
Nobiletin.cdx
csChFnd80/10101813242D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1903    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
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 18  2  0  0  0  0
 12 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
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,022)
3022

>  <Formula> (3,022)
C21H22O8

>  <MolWeight> (3,022)
402.39458

>  <Item Name> (3,022)
Nobiletin (Hexamethoxyflavone)

>  <Catalog Number> (3,022)
S2333

>  <Synonyms> (3,022)
N/A 

>  <Target> (3,022)
MMP

>  <Form> (3,022)
Free Base

>  <URL> (3,022)
http://www.selleckchem.com/products/Nobiletin(Hexamethoxyflavone).html

>  <CAS Number> (3,022)
478-01-3

$$$$
Oleanolic Acid.cdx
csChFnd80/10101813242D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.4124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4828    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 34  1  6  0  0  0
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M  END
>  <Mol_ID> (3,023)
3023

>  <Formula> (3,023)
C30H48O3

>  <MolWeight> (3,023)
456.70032

>  <Item Name> (3,023)
Oleanolic Acid (Caryophyllin)

>  <Catalog Number> (3,023)
S2334

>  <Synonyms> (3,023)
Caryophyllin, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B 

>  <Target> (3,023)
Antifection

>  <Form> (3,023)
Free Base

>  <URL> (3,023)
http://www.selleckchem.com/products/Oleanolic-Acid(Caryophyllin).html

>  <CAS Number> (3,023)
508-02-1

$$$$
Oridonin.cdx
csChFnd80/10101813242D

 28 32  0  0  0  0  0  0  0  0999 V2000
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  9  7  1  1  0  0  0
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  7 26  1  1  0  0  0
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M  END
>  <Mol_ID> (3,024)
3024

>  <Formula> (3,024)
C20H28O6

>  <MolWeight> (3,024)
364.43272

>  <Item Name> (3,024)
Oridonin (Isodonol)

>  <Catalog Number> (3,024)
S2335

>  <Synonyms> (3,024)
Isodonol

>  <Target> (3,024)
Others

>  <Form> (3,024)
Free Base

>  <URL> (3,024)
http://www.selleckchem.com/products/Oridonin(Isodonol).html

>  <CAS Number> (3,024)
28957-04-2

$$$$
OROTIC ACID.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    3.6289    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,025)
3025

>  <Formula> (3,025)
C5H4N2O4

>  <MolWeight> (3,025)
156.09626

>  <Item Name> (3,025)
Orotic acid (6-Carboxyuracil)

>  <Catalog Number> (3,025)
S2336

>  <Synonyms> (3,025)
6-Carboxyuracil, Orodin, Oropur, Orotonin, Orotonsan 

>  <Target> (3,025)
Others

>  <Form> (3,025)
Free Base

>  <URL> (3,025)
http://www.selleckchem.com/products/Orotic-acid(6-Carboxyuracil).html

>  <CAS Number> (3,025)
65-86-1

$$$$
Osthole.cdx
csChFnd80/10101813242D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    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
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 10  5  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  9 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,026)
3026

>  <Formula> (3,026)
C15H16O3

>  <MolWeight> (3,026)
244.28574

>  <Item Name> (3,026)
Osthole (Osthol)

>  <Catalog Number> (3,026)
S2337

>  <Synonyms> (3,026)
Osthol, Ostole, Ostol

>  <Target> (3,026)
Others

>  <Form> (3,026)
Free Base

>  <URL> (3,026)
http://www.selleckchem.com/products/Osthole(Osthol).html

>  <CAS Number> (3,026)
484-12-8

$$$$
Oxymatrine.cdx
csChFnd80/10101813242D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 C   0  0  2  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
    4.8497    1.4000    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
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 10  5  1  0  0  0  0
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 13  6  1  0  0  0  0
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M  END
>  <Mol_ID> (3,027)
3027

>  <Formula> (3,027)
C15H24N2O2

>  <MolWeight> (3,027)
264.36326

>  <Item Name> (3,027)
Oxymatrine (Matrine N-oxide)

>  <Catalog Number> (3,027)
S2338

>  <Synonyms> (3,027)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (3,027)
Others

>  <Form> (3,027)
Free Base

>  <URL> (3,027)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

>  <CAS Number> (3,027)
16837-52-8 

$$$$
Paeonol.cdx
csChFnd80/10101813242D

 12 12  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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (3,028)
3028

>  <Formula> (3,028)
C9H10O3

>  <MolWeight> (3,028)
166.1739

>  <Item Name> (3,028)
Paeonol (Peonol)

>  <Catalog Number> (3,028)
S2339

>  <Synonyms> (3,028)
Peonol

>  <Target> (3,028)
MAO

>  <Form> (3,028)
Free Base

>  <URL> (3,028)
http://www.selleckchem.com/products/Paeonol(Peonol).html

>  <CAS Number> (3,028)
552-41-0 

$$$$
Parthenolide.cdx
csChFnd80/10101813242D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8 13  1  1  0  0  0
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M  END
>  <Mol_ID> (3,029)
3029

>  <Formula> (3,029)
C15H20O3

>  <MolWeight> (3,029)
248.3175

>  <Item Name> (3,029)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (3,029)
S2341

>  <Synonyms> (3,029)
N/A 

>  <Target> (3,029)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (3,029)
Free Base

>  <URL> (3,029)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

>  <CAS Number> (3,029)
20554-84-1

$$$$
Phloretin.cdx
csChFnd80/10101813242D

 20 21  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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    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.4927    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 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,030)
3030

>  <Formula> (3,030)
C15H14O5

>  <MolWeight> (3,030)
274.26866

>  <Item Name> (3,030)
Phloretin

>  <Catalog Number> (3,030)
S2342

>  <Synonyms> (3,030)
Dihydronaringenin

>  <Target> (3,030)
SGLT

>  <Form> (3,030)
Free Base

>  <URL> (3,030)
http://www.selleckchem.com/products/Phloretin(Dihydronaringenin).html

>  <CAS Number> (3,030)
60-82-2

$$$$
Phlorizin.cdx
csChFnd80/10101813242D

 31 33  0  0  0  0  0  0  0  0999 V2000
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  6  7  1  0  0  0  0
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 10  1  1  0  0  0  0
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 13  5  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 12  1  0  0  0  0
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 16 24  1  1  0  0  0
 14 25  1  1  0  0  0
 17 26  1  6  0  0  0
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 22 28  1  0  0  0  0
  7 29  2  0  0  0  0
  3 30  1  0  0  0  0
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M  END
>  <Mol_ID> (3,031)
3031

>  <Formula> (3,031)
C21H24O10

>  <MolWeight> (3,031)
436.40926

>  <Item Name> (3,031)
Phlorizin (Phloridzin)

>  <Catalog Number> (3,031)
S2343

>  <Synonyms> (3,031)
Phlorhizin, Phlorizoside 

>  <Target> (3,031)
SGLT

>  <Form> (3,031)
Free Base

>  <URL> (3,031)
http://www.selleckchem.com/products/Phlorizin(Phloridzin).html

>  <CAS Number> (3,031)
60-81-1

$$$$
Piperine.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,032)
3032

>  <Formula> (3,032)
C17H19NO3

>  <MolWeight> (3,032)
285.33766

>  <Item Name> (3,032)
Piperine (1-Piperoylpiperidine)

>  <Catalog Number> (3,032)
S2344

>  <Synonyms> (3,032)
Piperin 

>  <Target> (3,032)
P450 (e.g. CYP17)

>  <Form> (3,032)
Free Base

>  <URL> (3,032)
http://www.selleckchem.com/products/Piperine(1-Piperoylpiperidine).html

>  <CAS Number> (3,032)
94-62-2 

$$$$
Puerarin.cdx
csChFnd80/10101813242D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    8.3892    3.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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 25 29  1  6  0  0  0
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 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,033)
3033

>  <Formula> (3,033)
C21H20O10

>  <MolWeight> (3,033)
432.3775

>  <Item Name> (3,033)
Puerarin (Kakonein)

>  <Catalog Number> (3,033)
S2346

>  <Synonyms> (3,033)
NPI-31G 

>  <Target> (3,033)
5-HT Receptor

>  <Form> (3,033)
Free Base

>  <URL> (3,033)
http://www.selleckchem.com/products/Puerarin(Kakonein).html

>  <CAS Number> (3,033)
3681-99-0

$$$$
Quercetin dihydrate.cdx
csChFnd80/10101813242D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,034)
3034

>  <Formula> (3,034)
C15H14O9

>  <MolWeight> (3,034)
338.26626

>  <Item Name> (3,034)
Quercetin dihydrate (Sophoretin)

>  <Catalog Number> (3,034)
S2347

>  <Synonyms> (3,034)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (3,034)
Others

>  <Form> (3,034)
Dihydrate

>  <URL> (3,034)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

>  <CAS Number> (3,034)
6151-25-3

$$$$
Rutaecarpine.cdx
csChFnd80/10101813242D

 22 26  0  0  0  0  0  0  0  0999 V2000
    5.6805    4.7484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6805    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    2.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    2.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9618    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
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
  4 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  5  1  0  0  0  0
 11 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 12  1  0  0  0  0
  6 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,035)
3035

>  <Formula> (3,035)
C18H13N3O

>  <MolWeight> (3,035)
287.31532

>  <Item Name> (3,035)
Rutaecarpine (Rutecarpine)

>  <Catalog Number> (3,035)
S2349

>  <Synonyms> (3,035)
Rutecarpine, Rutacarpine, Rutaecarpin, Rhetine 

>  <Target> (3,035)
COX

>  <Form> (3,035)
Free Base

>  <URL> (3,035)
http://www.selleckchem.com/products/Rutaecarpine(Rutecarpine).html

>  <CAS Number> (3,035)
84-26-4

$$$$
Rutin DAB10.cdx
csChFnd80/10101813242D

 43 47  0  0  0  0  0  0  0  0999 V2000
    7.2620    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6289    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075   11.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
 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
 16 11  1  0  0  0  0
 13 17  1  1  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  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 19  1  0  0  0  0
  2 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  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 26  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
  3 34  2  0  0  0  0
  7 35  1  0  0  0  0
  9 36  1  0  0  0  0
 11 25  1  1  0  0  0
 15 37  1  1  0  0  0
 22 38  1  1  0  0  0
 21 39  1  6  0  0  0
 23 40  1  6  0  0  0
 24 41  1  6  0  0  0
 14 42  1  6  0  0  0
 16 43  1  6  0  0  0
M  END
>  <Mol_ID> (3,036)
3036

>  <Formula> (3,036)
C27H30O16

>  <MolWeight> (3,036)
610.5175

>  <Item Name> (3,036)
Rutin (Rutoside)

>  <Catalog Number> (3,036)
S2350

>  <Synonyms> (3,036)
Quercetin 3-rutinoside, Rutin trihydrate, Phytomelin, Birutan, Sophorin, Venoruton, Eldrin 

>  <Target> (3,036)
NULL

>  <Form> (3,036)
Free Base

>  <URL> (3,036)
http://www.selleckchem.com/products/Rutin(Rutoside).html

>  <CAS Number> (3,036)
153-18-4

$$$$
Salicin.cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  6  0  0  0
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  5 10  1  1  0  0  0
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 14  9  1  0  0  0  0
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 15 16  1  0  0  0  0
  1 17  1  1  0  0  0
 17 18  1  0  0  0  0
  2 19  1  6  0  0  0
  3 20  1  1  0  0  0
M  END
>  <Mol_ID> (3,037)
3037

>  <Formula> (3,037)
C13H18O7

>  <MolWeight> (3,037)
286.27782

>  <Item Name> (3,037)
Salicin (Salicoside, Salicine)

>  <Catalog Number> (3,037)
S2351

>  <Synonyms> (3,037)
Salicoside, Salicine

>  <Target> (3,037)
COX

>  <Form> (3,037)
Free Base

>  <URL> (3,037)
http://www.selleckchem.com/products/Salicin(Salicoside,-Salicine).html

>  <CAS Number> (3,037)
138-52-3

$$$$
Sclareol.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.3951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6076    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8200    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8200    6.9951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.0324    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2449    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4878    0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8200    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0428    5.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8612    4.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  4  7  1  0  0  0  0
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  3 13  1  1  0  0  0
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 17 19  2  0  0  0  0
  4 20  1  1  0  0  0
  2 21  1  1  0  0  0
  2 22  1  6  0  0  0
M  END
>  <Mol_ID> (3,038)
3038

>  <Formula> (3,038)
C20H36O2

>  <MolWeight> (3,038)
308.49864

>  <Item Name> (3,038)
Sclareol

>  <Catalog Number> (3,038)
S2354

>  <Synonyms> (3,038)
N/A

>  <Target> (3,038)
Others

>  <Form> (3,038)
Free Base

>  <URL> (3,038)
http://www.selleckchem.com/products/Sclareol.html

>  <CAS Number> (3,038)
515-03-7

$$$$
Dihydromyricetin.cdx
csChFnd80/10101813242D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  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
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
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 15 16  2  0  0  0  0
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 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,039)
3039

>  <Formula> (3,039)
C15H12O8

>  <MolWeight> (3,039)
320.25098

>  <Item Name> (3,039)
Dihydromyricetin (Ampeloptin)

>  <Catalog Number> (3,039)
S2399

>  <Synonyms> (3,039)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (3,039)
Others

>  <Form> (3,039)
Free Base

>  <URL> (3,039)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

>  <CAS Number> (3,039)
27200-12-0

$$$$
Sodium Danshensu.cdx
csChFnd80/10101813242D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    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
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4955    2.1073    0.0000 O   0  5  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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 11 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,040)
3040

>  <Formula> (3,040)
C9H9NaO5

>  <MolWeight> (3,040)
220.15453

>  <Item Name> (3,040)
Sodium Danshensu

>  <Catalog Number> (3,040)
S2401

>  <Synonyms> (3,040)
N/A

>  <Target> (3,040)
P450

>  <Form> (3,040)
Sodium Salt

>  <URL> (3,040)
http://www.selleckchem.com/products/Sodium-Danshensu.html

>  <CAS Number> (3,040)
67920-52-9

$$$$
Isoliquiritigenin.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    2.1000    0.0000 C   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
    7.2578    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0024    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
  2  7  1  0  0  0  0
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 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,041)
3041

>  <Formula> (3,041)
C15H12O4

>  <MolWeight> (3,041)
256.25338

>  <Item Name> (3,041)
Isoliquiritigenin

>  <Catalog Number> (3,041)
S2404

>  <Synonyms> (3,041)
N/A

>  <Target> (3,041)
Others

>  <Form> (3,041)
Free Base

>  <URL> (3,041)
http://www.selleckchem.com/products/Isoliquiritigenin.html

>  <CAS Number> (3,041)
961-29-5

$$$$
Sophocarpine.cdx
csChFnd80/10101813242D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   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
    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 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  9  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (3,042)
3042

>  <Formula> (3,042)
C15H22N2O

>  <MolWeight> (3,042)
246.34798

>  <Item Name> (3,042)
Sophocarpine

>  <Catalog Number> (3,042)
S2405 

>  <Synonyms> (3,042)
N/A

>  <Target> (3,042)
Others

>  <Form> (3,042)
Free Base

>  <URL> (3,042)
http://www.selleckchem.com/products/Sophocarpine.html

>  <CAS Number> (3,042)
6483-15-4

$$$$
Chrysophanic acid.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  9 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
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,043)
3043

>  <Formula> (3,043)
C15H10O4

>  <MolWeight> (3,043)
254.2375

>  <Item Name> (3,043)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (3,043)
S2406

>  <Synonyms> (3,043)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (3,043)
EGFR, mTOR

>  <Form> (3,043)
Free Base

>  <URL> (3,043)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (3,043)
481-74-3

$$$$
Curcumol.cdx
csChFnd80/10101813242D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (3,044)
3044

>  <Formula> (3,044)
C15H24O2

>  <MolWeight> (3,044)
236.34986

>  <Item Name> (3,044)
Curcumol

>  <Catalog Number> (3,044)
S2407

>  <Synonyms> (3,044)
N/A

>  <Target> (3,044)
JAK

>  <Form> (3,044)
Free Base

>  <URL> (3,044)
http://www.selleckchem.com/products/Curcumol.html

>  <CAS Number> (3,044)
4871-97-0

$$$$
Amantadine HCl.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.7000    1.2124    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
    1.3461    0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    2.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    4.3748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4136    2.3841    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
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9  8  1  0  0  0  0
  3 10  1  0  0  0  0
 10  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,045)
3045

>  <Formula> (3,045)
C10H18ClN

>  <MolWeight> (3,045)
187.70962

>  <Item Name> (3,045)
Amantadine hydrochloride (Symmetrel)

>  <Catalog Number> (3,045)
S2451

>  <Synonyms> (3,045)
Symmetrel

>  <Target> (3,045)
Dopamine Receptor

>  <Form> (3,045)
Hydrochloride

>  <URL> (3,045)
selleckchem.com/products/Amantadine-hydrochloride(Symmetrel).html

>  <CAS Number> (3,045)
665-66-7

$$$$
Amfebutamone HCl.cdx
csChFnd80/10101813242D

 17 16  0  0  0  0  0  0  0  0999 V2000
    6.0496    3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.9642    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.3594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6331    1.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,046)
3046

>  <Formula> (3,046)
C13H19Cl2NO

>  <MolWeight> (3,046)
276.20206

>  <Item Name> (3,046)
Amfebutamone (Bupropion) HCl

>  <Catalog Number> (3,046)
S2452

>  <Synonyms> (3,046)
Wellbutrin, Zyban, Budeprion

>  <Target> (3,046)
Dopamine Receptor

>  <Form> (3,046)
Hydrochloride

>  <URL> (3,046)
http://www.selleckchem.com/products/Amfebutamone-hydrochloride(Bupropion).html

>  <CAS Number> (3,046)
31677-93-7

$$$$
Benserazide hydrochloride.cdx
csChFnd80/10101813242D

 19 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    6.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.8585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.1585    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9204    4.8585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.2585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5267    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 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
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,047)
3047

>  <Formula> (3,047)
C10H16ClN3O5

>  <MolWeight> (3,047)
293.70414

>  <Item Name> (3,047)
Benserazide HCl

>  <Catalog Number> (3,047)
S2453

>  <Synonyms> (3,047)
Ro-4-4602

>  <Target> (3,047)
Dopamine Receptor

>  <Form> (3,047)
Hydrochloride

>  <URL> (3,047)
selleckchem.com/products/Benserazide-hydrochloride(Serazide).html

>  <CAS Number> (3,047)
14919-77-8

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/10101813242D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,048)
3048

>  <Formula> (3,048)
C18H29ClN2O

>  <MolWeight> (3,048)
324.88866

>  <Item Name> (3,048)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (3,048)
S2454

>  <Synonyms> (3,048)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (3,048)
Sodium Channel

>  <Form> (3,048)
Hydrochloride

>  <URL> (3,048)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (3,048)
18010-40-7

$$$$
Astragaloside A.cdx
csChFnd80/10101813242D

 58 65  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    8.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.9951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    9.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    9.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117   10.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2661    9.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4432   10.9278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4744    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    9.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3242    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5324    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   12.2546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6612    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   12.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   14.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   14.5199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0514   13.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6619   11.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432   15.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3767   16.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0786   16.1368    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
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  3  9  1  6  0  0  0
  1 10  1  6  0  0  0
 11  8  1  1  0  0  0
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 22 30  1  1  0  0  0
 17 31  1  6  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
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 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 36 38  1  1  0  0  0
 34 39  1  1  0  0  0
 37 40  1  6  0  0  0
 35 41  1  6  0  0  0
 39 42  1  0  0  0  0
 21 43  1  6  0  0  0
 27 44  1  0  0  0  0
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 49 44  1  0  0  0  0
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 12 57  1  0  0  0  0
 12 58  1  0  0  0  0
M  END
>  <Mol_ID> (3,049)
3049

>  <Formula> (3,049)
C41H68O14

>  <MolWeight> (3,049)
784.97022

>  <Item Name> (3,049)
Astragaloside A

>  <Catalog Number> (3,049)
S2415

>  <Synonyms> (3,049)
Cyclosiversioside F

>  <Target> (3,049)
Calcium Channel

>  <Form> (3,049)
Free Base

>  <URL> (3,049)
http://www.selleckchem.com/products/astragaloside-a.html

>  <CAS Number> (3,049)
83207-58-3

$$$$
Carbamyl-beta-methylcholine chloride.cdx
csChFnd80/10101813242D

 12 10  0  0  0  0  0  0  0  0999 V2000
    1.2167    2.9122    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4333    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.9146    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.0706    2.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.6146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.5146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529    0.0000    0.0000 Cl  0  5  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
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  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,050)
3050

>  <Formula> (3,050)
C7H17ClN2O2

>  <MolWeight> (3,050)
196.67508

>  <Item Name> (3,050)
Bethanechol chloride

>  <Catalog Number> (3,050)
S2455

>  <Synonyms> (3,050)
N/A 

>  <Target> (3,050)
AChR

>  <Form> (3,050)
quaternary-N Chloride salt

>  <URL> (3,050)
selleckchem.com/products/Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride).html

>  <CAS Number> (3,050)
590-63-6

$$$$
Chlorpromazine HCl.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
    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
    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
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    3.6373    0.0000    0.0000 S   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
    4.8497    2.1000    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
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7452    6.2563    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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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  8 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,051)
3051

>  <Formula> (3,051)
C17H20Cl2N2S

>  <MolWeight> (3,051)
355.3251

>  <Item Name> (3,051)
Chlorpromazine HCl

>  <Catalog Number> (3,051)
S2456

>  <Synonyms> (3,051)
Sonazine

>  <Target> (3,051)
Dopamine Receptor, Potassium Channel

>  <Form> (3,051)
Hydrochloride

>  <URL> (3,051)
http://www.selleckchem.com/products/Chlorpromazine-hydrochloride(Sonazine).html

>  <CAS Number> (3,051)
69-09-0

$$$$
Clonidine HCl.cdx
csChFnd80/10101813242D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.5191    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    2.2243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3571    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1203    4.1861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7333    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  4 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,052)
3052

>  <Formula> (3,052)
C9H10Cl3N3

>  <MolWeight> (3,052)
266.5548

>  <Item Name> (3,052)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (3,052)
S2458

>  <Synonyms> (3,052)
Catapres

>  <Target> (3,052)
Adrenergic Receptor

>  <Form> (3,052)
Hydrochloride

>  <URL> (3,052)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (3,052)
4205-91-8

$$$$
Clozapine.cdx
csChFnd80/10101813242D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.2701    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5577    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2071    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1808    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1888    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5754    4.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9715    4.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5790    6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7903    7.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942    7.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7868    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957    8.4484    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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  2 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  3  1  0  0  0  0
  9 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,053)
3053

>  <Formula> (3,053)
C18H19ClN4

>  <MolWeight> (3,053)
326.82326

>  <Item Name> (3,053)
Clozapine (Clozaril)

>  <Catalog Number> (3,053)
S2459

>  <Synonyms> (3,053)
Leponex, Fazaclo

>  <Target> (3,053)
5-HT Receptor

>  <Form> (3,053)
Free Base

>  <URL> (3,053)
http://www.selleckchem.com/products/Clozapine(Clozaril).html

>  <CAS Number> (3,053)
5786-21-0

$$$$
S3942 Cardamonin.cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 13  9  2  3  0  0  0
M  CFW  20 B_NG_STER 3
M  END
>  <Mol_ID> (3,054)
3054

>  <Formula> (3,054)
C16H14O4

>  <MolWeight> (3,054)
270.27996

>  <Item Name> (3,054)
Cardamonin

>  <Catalog Number> (3,054)
S3942

>  <Synonyms> (3,054)
Alpinetin chalcone

>  <Target> (3,054)
Calcium Channel

>  <Form> (3,054)
free base

>  <URL> (3,054)
http://selleckchem.com/products/cardamonin.html

>  <CAS Number> (3,054)
18956-16-6

$$$$
Dehydroepiandrosterone.cdx
csChFnd80/10101813242D

 24 27  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  1  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
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
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  9 20  1  1  0  0  0
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 10 23  1  6  0  0  0
 11 24  1  6  0  0  0
M  END
>  <Mol_ID> (3,055)
3055

>  <Formula> (3,055)
C19H28O2

>  <MolWeight> (3,055)
288.42442

>  <Item Name> (3,055)
Dehydroepiandrosterone (DHEA)

>  <Catalog Number> (3,055)
S2604

>  <Synonyms> (3,055)
DHEA

>  <Target> (3,055)
Androgen Receptor

>  <Form> (3,055)
Free Base

>  <URL> (3,055)
http://www.selleckchem.com/products/Dehydroepiandrosterone(DHEA).html

>  <CAS Number> (3,055)
53-43-0

$$$$
Domperidone.cdx
csChFnd80/10101813242D

 30 34  0  0  0  0  0  0  0  0999 V2000
    5.2260    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  9  1  0  0  0  0
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 18  4  1  0  0  0  0
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 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,056)
3056

>  <Formula> (3,056)
C22H24ClN5O2

>  <MolWeight> (3,056)
425.91126

>  <Item Name> (3,056)
Domperidone (Motilium)

>  <Catalog Number> (3,056)
S2461

>  <Synonyms> (3,056)
Motilium, Motillium, Motinorm, Costi 

>  <Target> (3,056)
Dopamine Receptor

>  <Form> (3,056)
Free Base

>  <URL> (3,056)
http://www.selleckchem.com/products/Domperidone(Motilium).html

>  <CAS Number> (3,056)
57808-66-9

$$$$
Estriol.cdx
csChFnd80/10101813242D

 24 27  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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    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  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
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 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
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 17 12  1  0  0  0  0
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  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (3,057)
3057

>  <Formula> (3,057)
C18H24O3

>  <MolWeight> (3,057)
288.38136

>  <Item Name> (3,057)
Estriol

>  <Catalog Number> (3,057)
S2466

>  <Synonyms> (3,057)
Oestriol

>  <Target> (3,057)
Estrogen/progestogen Receptor

>  <Form> (3,057)
Free Base

>  <URL> (3,057)
http://www.selleckchem.com/products/Estriol(Oestriol).html

>  <CAS Number> (3,057)
50-27-1

$$$$
Famciclovir.cdx
csChFnd80/10101813242D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    2.4207   10.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,058)
3058

>  <Formula> (3,058)
C14H19N5O4

>  <MolWeight> (3,058)
321.33176

>  <Item Name> (3,058)
Famciclovir (Famvir)

>  <Catalog Number> (3,058)
S2467

>  <Synonyms> (3,058)
Famvir

>  <Target> (3,058)
Antifection

>  <Form> (3,058)
Free Base

>  <URL> (3,058)
http://www.selleckchem.com/products/Famciclovir(Famvir).html

>  <CAS Number> (3,058)
104227-87-4

$$$$
Fenbendazole.cdx
csChFnd80/10101813242D

 21 23  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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 13  8  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,059)
3059

>  <Formula> (3,059)
C15H13N3O2S

>  <MolWeight> (3,059)
299.34762

>  <Item Name> (3,059)
Fenbendazole (Panacur)

>  <Catalog Number> (3,059)
S2468

>  <Synonyms> (3,059)
 Panacur, Safe-Guard

>  <Target> (3,059)
Antifection

>  <Form> (3,059)
Free Base

>  <URL> (3,059)
http://www.selleckchem.com/products/Fenbendazole(Panacur).html

>  <CAS Number> (3,059)
43210-67-9

$$$$
Gallamine triethiodide.cdx
csChFnd80/10101813242D

 39 36  0  0  0  0  0  0  0  0999 V2000
    8.1209    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 35  1  0  0  0  0
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M  END
>  <Mol_ID> (3,060)
3060

>  <Formula> (3,060)
C30H60I3N3O3

>  <MolWeight> (3,060)
891.52911

>  <Item Name> (3,060)
Gallamine triethiodide (Flaxedil)

>  <Catalog Number> (3,060)
S2471

>  <Synonyms> (3,060)
Flaxedil

>  <Target> (3,060)
AChR

>  <Form> (3,060)
tri-quaternary-N iodide salt

>  <URL> (3,060)
http://www.selleckchem.com/products/Gallamine-triethiodide(Flaxedil).html

>  <CAS Number> (3,060)
65-29-2

$$$$
Hexestrol.cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,061)
3061

>  <Formula> (3,061)
C18H22O2

>  <MolWeight> (3,061)
270.36608

>  <Item Name> (3,061)
Hexestrol (Bibenzyl)

>  <Catalog Number> (3,061)
S2473

>  <Synonyms> (3,061)
Bibenzyl, Cycloestrol, Dihydro-stilbestro, Dihydrostilbestrol, Estra-Plex 

>  <Target> (3,061)
Estrogen/progestogen Receptor

>  <Form> (3,061)
Free Base

>  <URL> (3,061)
http://www.selleckchem.com/products/Hexestrol(Bibenzyl).html

>  <CAS Number> (3,061)
84-16-2

$$$$
Imatinib.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,062)
3062

>  <Formula> (3,062)
C29H31N7O

>  <MolWeight> (3,062)
493.60274

>  <Item Name> (3,062)
Imatinib (STI571) 

>  <Catalog Number> (3,062)
S2475 

>  <Synonyms> (3,062)
STI571, Glivec

>  <Form> (3,062)
Free Base

>  <URL> (3,062)
http://www.selleckchem.com/products/Imatinib(STI571).html

>  <CAS Number> (3,062)
152459-95-5

$$$$
Lincomycin  HCl.cdx
csChFnd80/10101813242D

 29 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,063)
3063

>  <Formula> (3,063)
C18H35ClN2O6S

>  <MolWeight> (3,063)
442.9983

>  <Item Name> (3,063)
Lincomycin hydrochloride (Lincocin)

>  <Catalog Number> (3,063)
S2479

>  <Synonyms> (3,063)
Lincocin

>  <Target> (3,063)
Antifection

>  <Form> (3,063)
Hydrochloride

>  <URL> (3,063)
http://www.selleckchem.com/products/Lincomycin-hydrochloride(Lincocin).html

>  <CAS Number> (3,063)
859-18-7

$$$$
Loperamide HCl.cdx
csChFnd80/10101813242D

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Loperamide hydrochloride

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S2480

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N/A

>  <Target> (3,064)
Opioid Receptor

>  <Form> (3,064)
Hydrochloride

>  <URL> (3,064)
http://www.selleckchem.com/products/Loperamide-hydrochloride.html

>  <CAS Number> (3,064)
34552-83-5

$$$$
Manidipine.cdx
csChFnd80/10101813242D

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>  <Formula> (3,065)
C35H38N4O6

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>  <Item Name> (3,065)
Manidipine (Manyper)

>  <Catalog Number> (3,065)
S2481

>  <Synonyms> (3,065)
Artedil, Iperten 

>  <Target> (3,065)
Calcium Channel

>  <Form> (3,065)
Free Base

>  <URL> (3,065)
http://www.selleckchem.com/products/Manidipine(Manyper).html

>  <CAS Number> (3,065)
89226-50-6

$$$$
LY 411575.cdx
csChFnd80/10101813242D

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>  <Formula> (3,066)
C26H23F2N3O4

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>  <Item Name> (3,066)
LY411575

>  <Catalog Number> (3,066)
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>  <Synonyms> (3,066)
N/A 

>  <Target> (3,066)
Gamma-secretase

>  <Form> (3,066)
Free Base

>  <URL> (3,066)
http://www.selleckchem.com/products/ly-411575.html

>  <CAS Number> (3,066)
209984-57-6

$$$$
PCI-32765.cdx
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  1  2  2  0  0  0  0
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  9 36  1  0  0  0  0
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M  END
>  <Mol_ID> (3,071)
3071

>  <Formula> (3,071)
C28H21N7OS

>  <MolWeight> (3,071)
503.57764

>  <Item Name> (3,071)
AMG 900

>  <Catalog Number> (3,071)
S2719

>  <Synonyms> (3,071)
N/A

>  <Target> (3,071)
Aurora Kinase

>  <Form> (3,071)
Free Base

>  <URL> (3,071)
http://www.selleckchem.com/products/amg-900.html

>  <CAS Number> (3,071)
945595-80-2

$$$$
Milrinone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,072)
3072

>  <Formula> (3,072)
C12H9N3O

>  <MolWeight> (3,072)
211.21936

>  <Item Name> (3,072)
Milrinone (Primacor)

>  <Catalog Number> (3,072)
S2484

>  <Synonyms> (3,072)
Primacor

>  <Target> (3,072)
ATPase

>  <Form> (3,072)
Free Base

>  <URL> (3,072)
http://www.selleckchem.com/products/Milrinone(Primacor).html

>  <CAS Number> (3,072)
78415-72-2

$$$$

csChFnd80/10101813242D

 34 34  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (3,073)
3073

>  <Formula> (3,073)
C22H30Cl2N4O6

>  <MolWeight> (3,073)
517.4028

>  <Item Name> (3,073)
Mitoxantrone 2HCl

>  <Catalog Number> (3,073)
S2485

>  <Synonyms> (3,073)
NSC-301739

>  <Target> (3,073)
Topoisomerase

>  <Form> (3,073)
Dihydrochloride

>  <URL> (3,073)
http://www.selleckchem.com/products/Mitoxantrone.html

>  <CAS Number> (3,073)
70476-82-3

$$$$
Moroxydine HCl.cdx
csChFnd80/10101813242D

 13 12  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (3,074)
3074

>  <Formula> (3,074)
C6H14ClN5O

>  <MolWeight> (3,074)
207.66126

>  <Item Name> (3,074)
Moroxydine HCl

>  <Catalog Number> (3,074)
S2486

>  <Synonyms> (3,074)
N/A

>  <Target> (3,074)
Antifection

>  <Form> (3,074)
Hydrochloride

>  <URL> (3,074)
http://www.selleckchem.com/products/Moroxydine-hydrochloride.html

>  <CAS Number> (3,074)
3160-91-6

$$$$
Mycophenolic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,075)
3075

>  <Formula> (3,075)
C17H20O6

>  <MolWeight> (3,075)
320.3371

>  <Item Name> (3,075)
Mycophenolic acid

>  <Catalog Number> (3,075)
S2487

>  <Synonyms> (3,075)
Mycophenolate, RS-61443

>  <Target> (3,075)
Dehydrogenase

>  <Form> (3,075)
Free Base

>  <URL> (3,075)
http://www.selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

>  <CAS Number> (3,075)
24280-93-1

$$$$
nateglinide.cdx
csChFnd80/10101813242D

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,076)
3076

>  <Formula> (3,076)
C19H27NO3

>  <MolWeight> (3,076)
317.42258

>  <Item Name> (3,076)
Nateglinide (Starlix)

>  <Catalog Number> (3,076)
S2489

>  <Synonyms> (3,076)
Starlix

>  <Target> (3,076)
Potassium Channel

>  <Form> (3,076)
Free Base

>  <URL> (3,076)
http://www.selleckchem.com/products/Nateglinide(Starlix).html

>  <CAS Number> (3,076)
105816-04-4

$$$$
Nitrendipine.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    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
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 15 10  1  0  0  0  0
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 14 20  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,077)
3077

>  <Formula> (3,077)
C18H20N2O6

>  <MolWeight> (3,077)
360.3612

>  <Item Name> (3,077)
Nitrendipine

>  <Catalog Number> (3,077)
S2491

>  <Synonyms> (3,077)
N/A

>  <Target> (3,077)
Calcium Channel

>  <Form> (3,077)
Free Base

>  <URL> (3,077)
http://www.selleckchem.com/products/Nitrendipine.html

>  <CAS Number> (3,077)
39562-70-4

$$$$
Novobiocin sodium.cdx
csChFnd80/10101813242D

 45 47  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1201    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7575    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7575    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3906    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0166    8.0306    0.0000 Na  0  3  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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 27 23  1  0  0  0  0
  1 28  1  1  0  0  0
  3 29  1  6  0  0  0
  2 30  1  6  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
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  6 35  1  0  0  0  0
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 15 38  2  0  0  0  0
 26 39  1  0  0  0  0
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 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (3,078)
3078

>  <Formula> (3,078)
C31H35N2NaO11

>  <MolWeight> (3,078)
634.60617

>  <Item Name> (3,078)
Novobiocin sodium (Albamycin)

>  <Catalog Number> (3,078)
S2492

>  <Synonyms> (3,078)
Albamycin, Cathomycin

>  <Target> (3,078)
Topoisomerase

>  <Form> (3,078)
Sodium Salt

>  <URL> (3,078)
www.selleckchem.com/products/Novobiocin-sodium(Albamycin).html

>  <CAS Number> (3,078)
1476-53-5

$$$$
Olanzapine.cdx
csChFnd80/10101813242D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.9370    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3641    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001    0.2342    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 11  7  1  0  0  0  0
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 14  3  1  0  0  0  0
 13 15  1  0  0  0  0
  4 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,079)
3079

>  <Formula> (3,079)
C17H20N4S

>  <MolWeight> (3,079)
312.4325

>  <Item Name> (3,079)
Olanzapine (Zyprexa)

>  <Catalog Number> (3,079)
S2493

>  <Synonyms> (3,079)
Zyprexa, Zalasta, Zolafren, Olzapin, Oferta, Zypadhera 

>  <Target> (3,079)
5-HT Receptor, Dopamine Receptor

>  <Form> (3,079)
Free Base

>  <URL> (3,079)
http://www.selleckchem.com/products/Olanzapine(Zyprexa).html

>  <CAS Number> (3,079)
132539-06-1

$$$$
Olopatadine HCl.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.9370    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    6.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    7.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    8.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    8.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    7.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    6.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,080)
3080

>  <Formula> (3,080)
C21H24ClNO3

>  <MolWeight> (3,080)
373.87316

>  <Item Name> (3,080)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (3,080)
S2494

>  <Synonyms> (3,080)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (3,080)
Histamine Receptor

>  <Form> (3,080)
Hydrochloride

>  <URL> (3,080)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (3,080)
140462-76-6

$$$$
Ozagrel.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.6322    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0571    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4240    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,081)
3081

>  <Formula> (3,081)
C13H12N2O2

>  <MolWeight> (3,081)
228.24658

>  <Item Name> (3,081)
Ozagrel

>  <Catalog Number> (3,081)
S2496

>  <Synonyms> (3,081)
OKY 046 

>  <Target> (3,081)
Factor Xa

>  <Form> (3,081)
Free Base

>  <URL> (3,081)
http://www.selleckchem.com/products/Ozagrel.html

>  <CAS Number> (3,081)
82571-53-7

$$$$
Pancuronium bromide.cdx
csChFnd80/10101813242D

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 44 23  1  0  0  0  0
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M  END
>  <Mol_ID> (3,082)
3082

>  <Formula> (3,082)
C35H60Br2N2O4

>  <MolWeight> (3,082)
732.6699

>  <Item Name> (3,082)
Pancuronium dibromide

>  <Catalog Number> (3,082)
S2497

>  <Synonyms> (3,082)
N/A

>  <Target> (3,082)
AChR

>  <Form> (3,082)
di-quaternary-N bromide salt

>  <URL> (3,082)
http://www.selleckchem.com/products/Pancuronium-bromide(Pavulon).html

>  <CAS Number> (3,082)
15500-66-0

$$$$
GSK2126458.cdx
csChFnd80/10101813242D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,083)
3083

>  <Formula> (3,083)
C25H17F2N5O3S

>  <MolWeight> (3,083)
505.4959864

>  <Item Name> (3,083)
Omipalisib (GSK2126458, GSK458)

>  <Catalog Number> (3,083)
S2658

>  <Synonyms> (3,083)
N/A 

>  <Target> (3,083)
PI3K, mTOR

>  <Form> (3,083)
Free Base

>  <URL> (3,083)
http://www.selleckchem.com/products/gsk2126458.html

>  <CAS Number> (3,083)
1086062-66-9 

$$$$
Quinine hydrochloride dihydrate.cdx
csChFnd80/10101813242D

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    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
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    7.2662    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.9476    4.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1185    6.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7999    5.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7189    6.8886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1298    4.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  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  2  0  0  0  0
 10  4  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 19  1  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 15 23  1  1  0  0  0
 22 24  1  6  0  0  0
 24 25  2  0  0  0  0
 20 26  1  6  0  0  0
M  END
>  <Mol_ID> (3,084)
3084

>  <Formula> (3,084)
C20H29ClN2O4

>  <MolWeight> (3,084)
396.90826

>  <Item Name> (3,084)
Quinine hydrochloride dihydrate

>  <Catalog Number> (3,084)
S2502

>  <Synonyms> (3,084)
N/A

>  <Target> (3,084)
Potassium Channel

>  <Form> (3,084)
Hydrochloride dihydrate

>  <URL> (3,084)
http://www.selleckchem.com/products/Quinine-hydrochloride-dihydrate.html

>  <CAS Number> (3,084)
6119-47-7 

$$$$
Racecadotril.cdx
csChFnd80/10101813242D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    6.2927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    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
  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
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 17 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
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,085)
3085

>  <Formula> (3,085)
C21H23NO4S

>  <MolWeight> (3,085)
385.47662

>  <Item Name> (3,085)
Racecadotril (Acetorphan)

>  <Catalog Number> (3,085)
S2503

>  <Synonyms> (3,085)
Acetorphan

>  <Target> (3,085)
Opioid Receptor

>  <Form> (3,085)
Free Base

>  <URL> (3,085)
http://www.selleckchem.com/products/Racecadotril(Acetorphan).html

>  <CAS Number> (3,085)
81110-73-8

$$$$
Ribavirin.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.6550    3.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8917    1.3647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1707    1.9341    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0244    3.3264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5675    2.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612    4.2599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789    1.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4306    3.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1306    5.1813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1938    6.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9148    5.6523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4838    7.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8107    8.0175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4471    8.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9847    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  1  1  0  0  0  0
  2  6  1  1  0  0  0
  5  7  1  1  0  0  0
  4  8  1  6  0  0  0
  3  9  1  6  0  0  0
  7 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  7  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  6 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,086)
3086

>  <Formula> (3,086)
C8H12N4O5

>  <MolWeight> (3,086)
244.20468

>  <Item Name> (3,086)
Ribavirin (Copegus)

>  <Catalog Number> (3,086)
S2504

>  <Synonyms> (3,086)
Rebetol, Ribasphere, Vilona, Virazole 

>  <Target> (3,086)
Antifection

>  <Form> (3,086)
Free Base

>  <URL> (3,086)
http://www.selleckchem.com/products/Ribavirin(Copegus).html

>  <CAS Number> (3,086)
36791-04-5

$$$$
Scopolamine hydrobromide.cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0387    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0387    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8305    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4552    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4552    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6676    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8801    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8801    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6676    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4552    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998    5.4492    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7970    4.9375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3953    6.2032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6783    6.7619    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0998    8.2131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9638    6.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    4.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638    4.9957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6683    7.7519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    7.4157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970    3.7251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    9.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    4.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5340    6.9076    0.0000 Br  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  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
  5  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  5  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
 13 17  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20  1  1  6  0  0  0
 16 21  1  6  0  0  0
 15 22  1  6  0  0  0
 14 23  1  6  0  0  0
 15 24  1  0  0  0  0
 24 14  1  0  0  0  0
 17 25  1  0  0  0  0
 13 26  1  1  0  0  0
M  END
>  <Mol_ID> (3,087)
3087

>  <Formula> (3,087)
C17H22BrNO4

>  <MolWeight> (3,087)
384.26488

>  <Item Name> (3,087)
Scopolamine hydrobromide

>  <Catalog Number> (3,087)
S2508

>  <Synonyms> (3,087)
N/A

>  <Target> (3,087)
AChR

>  <Form> (3,087)
Hydrobromide

>  <URL> (3,087)
http://www.selleckchem.com/products/Scopolamine-hydrobromide.html

>  <CAS Number> (3,087)
114-49-8

$$$$
Sotalol HCl.cdx
csChFnd80/10101813242D

 19 18  0  0  0  0  0  0  0  0999 V2000
    5.5878    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    2.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6878    2.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6878    5.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    5.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7878    3.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    2.7834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1878    1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2754    2.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7003    3.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    3.9958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4951    2.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3951    1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    0.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    5.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7185    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  1 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  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,088)
3088

>  <Formula> (3,088)
C12H21ClN2O3S

>  <MolWeight> (3,088)
308.82474

>  <Item Name> (3,088)
Sotalol HCl

>  <Catalog Number> (3,088)
S2509

>  <Synonyms> (3,088)
Sotalex

>  <Target> (3,088)
Adrenergic Receptor

>  <Form> (3,088)
Hydrochloride

>  <URL> (3,088)
http://www.selleckchem.com/products/Sotalol-hydrochloride(Betapace).html

>  <CAS Number> (3,088)
959-24-0

$$$$
Spectinomycin  HCl.cdx
csChFnd80/10101813242D

 28 28  0  0  0  0  0  0  0  0999 V2000
    2.4165    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    4.8417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.1417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    4.8417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6289    6.9417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,089)
3089

>  <Formula> (3,089)
C14H26Cl2N2O7

>  <MolWeight> (3,089)
405.27144

>  <Item Name> (3,089)
Spectinomycin 2HCl

>  <Catalog Number> (3,089)
S2510

>  <Synonyms> (3,089)
Actinospectacin

>  <Target> (3,089)
Antifection

>  <Form> (3,089)
dihydrochloride

>  <URL> (3,089)
www.selleckchem.com/products/Spectinomycin--hydrochloride.html

>  <CAS Number> (3,089)
21736-83-4

$$$$
Sulfadoxine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,090)
3090

>  <Formula> (3,090)
C12H14N4O4S

>  <MolWeight> (3,090)
310.32896

>  <Item Name> (3,090)
Sulfadoxine (Sulphadoxine)

>  <Catalog Number> (3,090)
S2511

>  <Synonyms> (3,090)
Sulphadoxine

>  <Target> (3,090)
Antifection

>  <Form> (3,090)
Free Base

>  <URL> (3,090)
http://www.selleckchem.com/products/Sulfadoxine(Sulphadoxine).html

>  <CAS Number> (3,090)
2447-57-6

$$$$
Terbinafine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,091)
3091

>  <Formula> (3,091)
C21H26ClN

>  <MolWeight> (3,091)
327.89084

>  <Item Name> (3,091)
Terbinafine hydrochloride (Lamisil)

>  <Catalog Number> (3,091)
S2557

>  <Synonyms> (3,091)
Zabel

>  <Target> (3,091)
Antifection

>  <Form> (3,091)
Hydrochloride

>  <URL> (3,091)
www.selleckchem.com/products/Terbinafine-hydrochloride(Zabel).html

>  <CAS Number> (3,091)
78628-80-5

$$$$
Vardenafil hydrochloride trihydrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,092)
3092

>  <Formula> (3,092)
C23H39ClN6O7S

>  <MolWeight> (3,092)
579.10976

>  <Item Name> (3,092)
Vardenafil Hydrochloride Trihydrate (Vivanza

>  <Catalog Number> (3,092)
S2515

>  <Synonyms> (3,092)
Levitra 

>  <Target> (3,092)
PDE

>  <Form> (3,092)
Hydrochloride trihydrate

>  <URL> (3,092)
http://www.selleckchem.com/products/Vardenafil(Vivanza).html

>  <CAS Number> (3,092)
224785-90-4

$$$$
Maprotiline hydrochloride.cdx
csChFnd80/10101813242D

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 18 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,093)
3093

>  <Formula> (3,093)
C20H24ClN

>  <MolWeight> (3,093)
313.86426

>  <Item Name> (3,093)
Maprotiline hydrochloride

>  <Catalog Number> (3,093)
S2517

>  <Synonyms> (3,093)
Deprilept, Ludiomil, Psymion

>  <Target> (3,093)
Reuptake inhibitor

>  <Form> (3,093)
Hydrochloride

>  <URL> (3,093)
http://www.selleckchem.com/products/Maprotiline-hydrochloride.html

>  <CAS Number> (3,093)
10347-81-6

$$$$
Naphazoline hydrochloride.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5695    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3327    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9201    3.3104    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
  5 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  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,094)
3094

>  <Formula> (3,094)
C14H15ClN2

>  <MolWeight> (3,094)
246.7353

>  <Item Name> (3,094)
Naphazoline hydrochloride (Naphcon)

>  <Catalog Number> (3,094)
S2519

>  <Synonyms> (3,094)
Naphcon, Albalon

>  <Target> (3,094)
Adrenergic Receptor

>  <Form> (3,094)
Hydrochloride

>  <URL> (3,094)
http://www.selleckchem.com/products/Naphazoline-hydrochloride-Naphcon.html

>  <CAS Number> (3,094)
550-99-2

$$$$
Epinephrine bitartrate.cdx
csChFnd80/10101813242D

 23 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.4122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    5.8122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    4.4146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    3.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8193    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0360    2.1024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8193    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0360    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2484    1.4024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2484    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4609    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4609    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6733    1.4024    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
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  6  0  0  0
 15 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,095)
3095

>  <Formula> (3,095)
C13H19NO9

>  <MolWeight> (3,095)
333.29126

>  <Item Name> (3,095)
Epinephrine bitartrate (Adrenalinium)

>  <Catalog Number> (3,095)
S2521

>  <Synonyms> (3,095)
D02149, Adrenalinetartrate, Adrenaline tatrate, Epinephrine Acid Tartrate 

>  <Target> (3,095)
Adrenergic Receptor

>  <Form> (3,095)
tartrate

>  <URL> (3,095)
http://www.selleckchem.com/products/Epinephrine-bitartrate-Adrenalinium.html

>  <CAS Number> (3,095)
51-42-3

$$$$
L-Adrenaline.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    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
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  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
    4.8582    2.8073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 N   0  0  0  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
  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
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,096)
3096

>  <Formula> (3,096)
C9H13NO3

>  <MolWeight> (3,096)
183.20442

>  <Item Name> (3,096)
L-Adrenaline (Epinephrine)

>  <Catalog Number> (3,096)
S2522

>  <Synonyms> (3,096)
Adrenaline, d-Adrenaline, Adnephrine, Adrenalin, Chelafrin, Epinefrina, Epinephran, Epirenan, Exadri 

>  <Target> (3,096)
Adrenergic Receptor

>  <Form> (3,096)
Free Base

>  <URL> (3,096)
http://www.selleckchem.com/products/L-Adrenaline-Epinephrine.html

>  <CAS Number> (3,096)
51-43-4

$$$$
Phenytoin sodium.cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.3373    4.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741    2.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7067    4.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7435    5.1871    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.0750    4.7545    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.2840    0.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2951    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0097    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3322    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  1  1  0  0  0  0
  5  6  1  0  0  0  0
  3  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  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
M  END
>  <Mol_ID> (3,097)
3097

>  <Formula> (3,097)
C15H11N2NaO2

>  <MolWeight> (3,097)
274.24981

>  <Item Name> (3,097)
Phenytoin sodium (Dilantin)

>  <Catalog Number> (3,097)
S2524

>  <Synonyms> (3,097)
Aleviatin, Diphenylhydantoin sodium, Eptoin, Phenytoin soluble, Prompt; Phenytek 

>  <Target> (3,097)
Sodium Channel

>  <Form> (3,097)
Sodium Salt

>  <URL> (3,097)
http://www.selleckchem.com/products/Phenytoin-sodium-Dilantin.html

>  <CAS Number> (3,097)
630-93-3

$$$$
Dopamine hydrochloride.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.8622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9784    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,098)
3098

>  <Formula> (3,098)
C8H12ClNO2

>  <MolWeight> (3,098)
189.63938

>  <Item Name> (3,098)
Dopamine hydrochloride (Inotropin)

>  <Catalog Number> (3,098)
S2529

>  <Synonyms> (3,098)
ASL 279, Cardiosteril, Dopamine Fresenius, Dopastat, Intropin, Rascordin, Revivan, Tensamin 

>  <Target> (3,098)
Dopamine Receptor

>  <Form> (3,098)
Hydrochloride 

>  <URL> (3,098)
http://www.selleckchem.com/products/Dopamine-hydrochloride-Inotropin.html

>  <CAS Number> (3,098)
62-31-7

$$$$
Asaraldehyde.cdx
csChFnd80/10101813242D

 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
    2.4249    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    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
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,099)
3099

>  <Formula> (3,099)
C10H12O4

>  <MolWeight> (3,099)
196.19988

>  <Item Name> (3,099)
Asaraldehyde (Asaronaldehyde)

>  <Catalog Number> (3,099)
S2531

>  <Synonyms> (3,099)
Asaronaldehyde, Asarylaldehyde, NSC 89299 

>  <Target> (3,099)
COX

>  <Form> (3,099)
Free Base

>  <URL> (3,099)
http://www.selleckchem.com/products/Asaraldehyde-Asaronaldehyde.html

>  <CAS Number> (3,099)
4460-86-0 

$$$$
L-Ascorbyl 6-palmitate.cdx
csChFnd80/10101813242D

 30 30  0  0  0  0  0  0  0  0999 V2000
    2.4680    0.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    1.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1705    3.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656    3.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9427    4.2937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    4.2937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    1.3923    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1528    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3652    1.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5776    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7901    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0025    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2149    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4274    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6398    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8522    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0647    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2771    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4895    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7020    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9144    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1268    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3393    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5517    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7641    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5776    3.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0824    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9682    0.4679    0.0000 H   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  1  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  2  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
 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 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 12 28  2  0  0  0  0
  9 29  1  6  0  0  0
  2 30  1  6  0  0  0
M  END
>  <Mol_ID> (3,100)
3100

>  <Formula> (3,100)
C22H38O7

>  <MolWeight> (3,100)
414.53292

>  <Item Name> (3,100)
L-Ascorbyl 6-palmitate

>  <Catalog Number> (3,100)
S2532

>  <Synonyms> (3,100)
Ascorbic palmitate, Ascorbyl monopalmitate, Ascorbyl palmitate, E 304, Grindox 562, L-Ascorbyl 6-pal 

>  <Target> (3,100)
Others

>  <Form> (3,100)
Free Base

>  <URL> (3,100)
http://www.selleckchem.com/products/L-Ascorbyl-6-palmitate.html

>  <CAS Number> (3,100)
137-66-6

$$$$
Ritodrine hydrochloride.cdx
csChFnd80/10101813242D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4790    4.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6872    0.7477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7496    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4784    2.6542    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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  1  0  0  0
  9 21  1  1  0  0  0
  8 22  1  6  0  0  0
  9 23  1  6  0  0  0
M  END
>  <Mol_ID> (3,101)
3101

>  <Formula> (3,101)
C17H22ClNO3

>  <MolWeight> (3,101)
323.81448

>  <Item Name> (3,101)
Ritodrine hydrochloride (Yutopar)

>  <Catalog Number> (3,101)
S2533

>  <Synonyms> (3,101)
DU 21220; Miolene; NSC 291565

>  <Target> (3,101)
Adrenergic Receptor

>  <Form> (3,101)
Hydrochloride

>  <URL> (3,101)
www.selleckchem.com/products/Ritodrine-hydrochloride-Yutopar.html

>  <CAS Number> (3,101)
23239-51-2

$$$$
Isoconazole nitrate.cdx
csChFnd80/10101813242D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.8350    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    6.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.9277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    8.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    9.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653   10.6111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959   10.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.2325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1078    1.2082    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8054    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8054    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7127    1.2082    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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  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  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 11 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 11  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,102)
3102

>  <Formula> (3,102)
C18H15Cl4N3O4

>  <MolWeight> (3,102)
479.1414

>  <Item Name> (3,102)
Isoconazole nitrate (Travogen)

>  <Catalog Number> (3,102)
S2534

>  <Synonyms> (3,102)
Adestan G 100, Fazol, Gyno-Travogen, R 15454, Travogyn 

>  <Target> (3,102)
Antifection

>  <Form> (3,102)
Nitrate 

>  <URL> (3,102)
http://www.selleckchem.com/products/Isoconazole-nitrate-Travogen.html

>  <CAS Number> (3,102)
24168-96-5

$$$$
Econazole nitrate.cdx
csChFnd80/10101813242D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   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
   12.0991    0.0024    0.0000 Cl  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
    7.3285    4.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    5.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653    6.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959    6.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7489    3.6750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.4465    4.8832    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.4465    2.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3537    3.6750    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
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 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
 16 19  1  0  0  0  0
 10 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
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,103)
3103

>  <Formula> (3,103)
C18H16Cl3N3O4

>  <MolWeight> (3,103)
444.69634

>  <Item Name> (3,103)
Econazole nitrate (Spectazole)

>  <Catalog Number> (3,103)
S2535

>  <Synonyms> (3,103)
Ecostatin, Epi-Pevaryl, Gyno-Pevaryl, Gynoryl, Ifenec, Micogin, NSC 243115, Palavale, Pevaryl 

>  <Target> (3,103)
Calcium Channel

>  <Form> (3,103)
Nitrate

>  <URL> (3,103)
http://www.selleckchem.com/products/Econazole-nitrate-Spectazole.html

>  <CAS Number> (3,103)
24169-02-6

$$$$
Secnidazole.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4680    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705    5.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656    5.6668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    3.8980    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.9765    4.8348    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2272    2.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0432    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556    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
  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  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,104)
3104

>  <Formula> (3,104)
C7H11N3O3

>  <MolWeight> (3,104)
185.18054

>  <Item Name> (3,104)
Secnidazole (Flagentyl)

>  <Catalog Number> (3,104)
S2537

>  <Synonyms> (3,104)
PM 185184, RP 14539, Sindose, Secnil

>  <Target> (3,104)
Antifection

>  <Form> (3,104)
Free Base

>  <URL> (3,104)
http://www.selleckchem.com/products/Secnidazole-Flagentyl.html

>  <CAS Number> (3,104)
3366-95-8

$$$$
untitled.cdx
csChFnd80/10101813242D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.2951    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9951    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (3,105)
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>  <Formula> (3,105)
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>  <Item Name> (3,105)
Rivaroxaban (Xarelto)

>  <Catalog Number> (3,105)
S3002

>  <Synonyms> (3,105)
N/A 

>  <Target> (3,105)
Factor Xa

>  <Form> (3,105)
Free Base

>  <URL> (3,105)
http://www.selleckchem.com/products/Rivaroxaban.html

>  <CAS Number> (3,105)
366789-02-8

$$$$
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>  <Mol_ID> (3,106)
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>  <Formula> (3,106)
C32H36ClNO8

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>  <Item Name> (3,106)
Toremifene Citrate (Fareston, Acapodene)

>  <Catalog Number> (3,106)
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>  <Synonyms> (3,106)
Fareston, Acapodene

>  <Target> (3,106)
Estrogen/progestogen Receptor

>  <Form> (3,106)
Citrate 

>  <URL> (3,106)
www.selleckchem.com/products/Toremifene-Citrate(Fareston).html

>  <CAS Number> (3,106)
89778-27-8

$$$$
CAL-1011.cdx
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>  <Mol_ID> (3,107)
3107

>  <Formula> (3,107)
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>  <MolWeight> (3,107)
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>  <Item Name> (3,107)
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>  <Catalog Number> (3,107)
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>  <Synonyms> (3,107)
CAL101

>  <Target> (3,107)
PI3K 

>  <Form> (3,107)
Free Base

>  <URL> (3,107)
http://www.selleckchem.com/products/CAL-101.html

>  <CAS Number> (3,107)
870281-82-6

$$$$
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901-47-3

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csChFnd80/10101813242D

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332012-40-5

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csChFnd80/10101813242D

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>  <Formula> (3,112)
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>  <MolWeight> (3,112)
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>  <Item Name> (3,112)
Neohesperidin

>  <Catalog Number> (3,112)
S2332

>  <Synonyms> (3,112)
N/A

>  <Target> (3,112)
ROS

>  <Form> (3,112)
Free Base

>  <URL> (3,112)
http://www.selleckchem.com/products/Neohesperidin.html

>  <CAS Number> (3,112)
13241-33-3 

$$$$
Clomipramine hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,113)
3113

>  <Formula> (3,113)
C19H24Cl2N2

>  <MolWeight> (3,113)
351.31326

>  <Item Name> (3,113)
Clomipramine hydrochloride (Anafranil)

>  <Catalog Number> (3,113)
S2541

>  <Synonyms> (3,113)
Anafranil

>  <Target> (3,113)
5-HT Receptor

>  <Form> (3,113)
Hydrochloride

>  <URL> (3,113)
http://www.selleckchem.com/products/Clomipramine-hydrochloride-Anafranil.html

>  <CAS Number> (3,113)
17321-77-6

$$$$
Ceftiofur hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,114)
3114

>  <Formula> (3,114)
C19H18ClN5O7S3

>  <MolWeight> (3,114)
560.02352

>  <Item Name> (3,114)
Ceftiofur hydrochloride 

>  <Catalog Number> (3,114)
S2543

>  <Synonyms> (3,114)
N/A

>  <Target> (3,114)
Antifection

>  <Form> (3,114)
Hydrochloride 

>  <URL> (3,114)
http://www.selleckchem.com/products/Ceftiofur-hydrochloride.html

>  <CAS Number> (3,114)
103980-44-5

$$$$
Acetanilide.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,115)
3115

>  <Formula> (3,115)
C8H9NO

>  <MolWeight> (3,115)
135.16316

>  <Item Name> (3,115)
Acetanilide (Antifebrin)

>  <Catalog Number> (3,115)
S2538

>  <Synonyms> (3,115)
N-phenylacetamide, Acetanil, Acetamidobenzene, Acetylaniline, NSC 7636 

>  <Target> (3,115)
Others

>  <Form> (3,115)
Free Base

>  <URL> (3,115)
http://www.selleckchem.com/products/Acetanilide-Antifebrin.html

>  <CAS Number> (3,115)
103-84-4

$$$$
Phenformin hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,116)
3116

>  <Formula> (3,116)
C10H16ClN5

>  <MolWeight> (3,116)
241.72054

>  <Item Name> (3,116)
Phenformin hydrochloride 

>  <Catalog Number> (3,116)
S2542

>  <Synonyms> (3,116)
N/A

>  <Target> (3,116)
AMPK

>  <Form> (3,116)
Hydrochloride 

>  <URL> (3,116)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

>  <CAS Number> (3,116)
834-28-6

$$$$
AZD5438.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,121)
3121

>  <Formula> (3,121)
C17H17N7

>  <MolWeight> (3,121)
319.36378

>  <Item Name> (3,121)
PP-121

>  <Catalog Number> (3,121)
S2622

>  <Synonyms> (3,121)
N/A

>  <Target> (3,121)
DNA-PK, mTOR, PDGF

>  <Form> (3,121)
Free Base

>  <URL> (3,121)
http://www.selleckchem.com/products/PP121.html

>  <CAS Number> (3,121)
1092788-83-4

$$$$
Trospium chloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,122)
3122

>  <Formula> (3,122)
C25H30ClNO3

>  <MolWeight> (3,122)
427.9636

>  <Item Name> (3,122)
Trospium chloride (Sanctura)

>  <Catalog Number> (3,122)
S2549

>  <Synonyms> (3,122)
Sanctura

>  <Target> (3,122)
AChR

>  <Form> (3,122)
quaternary-N chloride salt

>  <URL> (3,122)
http://www.selleckchem.com/products/Trospium-chloride-Sanctura.html

>  <CAS Number> (3,122)
10405-02-4

$$$$
Tolterodine tartrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,123)
3123

>  <Formula> (3,123)
C26H37NO7

>  <MolWeight> (3,123)
475.57448

>  <Item Name> (3,123)
Tolterodine tartrate (Detrol LA)

>  <Catalog Number> (3,123)
S2550

>  <Synonyms> (3,123)
Detrol LA, Kabi-2234, PNU-200583E 

>  <Target> (3,123)
AChR

>  <Form> (3,123)
Tartrate 

>  <URL> (3,123)
http://www.selleckchem.com/products/Tolterodine-tartrate-Detrol-LA.html

>  <CAS Number> (3,123)
124937-52-6

$$$$
WP1130.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,124)
3124

>  <Formula> (3,124)
C19H18BrN3O

>  <MolWeight> (3,124)
384.26972

>  <Item Name> (3,124)
Degrasyn (WP1130)

>  <Catalog Number> (3,124)
S2243

>  <Synonyms> (3,124)
N/A

>  <Target> (3,124)
DUB, Bcr-Abl

>  <Form> (3,124)
Free Base

>  <URL> (3,124)
http://www.selleckchem.com/products/WP1130.html

>  <CAS Number> (3,124)
856243-80-6

$$$$
Clomifene citrate.cdx
csChFnd80/10101813242D

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   19.2577    0.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0495    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2166    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6330    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4248    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8412    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9954    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 15  1  0  0  0  0
 10 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  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 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 31 38  2  0  0  0  0
 33 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 33 42  1  0  0  0  0
M  END
>  <Mol_ID> (3,125)
3125

>  <Formula> (3,125)
C32H36ClNO8

>  <MolWeight> (3,125)
598.08314

>  <Item Name> (3,125)
Clomifene citrate (Serophene)

>  <Catalog Number> (3,125)
S2561

>  <Synonyms> (3,125)
Clomid, Serophene, Milophene

>  <Target> (3,125)
Estrogen/progestogen Receptor

>  <Form> (3,125)
Citrate

>  <URL> (3,125)
http://www.selleckchem.com/products/Clomifene-citrate-Serophene.html

>  <CAS Number> (3,125)
50-41-9

$$$$
Cloxacillin sodium.cdx
csChFnd80/10101813242D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.9743    5.3667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9743    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3743    3.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3743    5.3667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7058    3.5340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5287    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7058    5.7993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7619    6.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    5.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    3.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    5.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    6.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    7.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    7.4773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1326    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451    8.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575    7.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4699    8.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4699    9.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   10.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451    9.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8368   10.2749    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9878    2.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1369    2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034    1.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5015    1.9171    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.0469   10.3832    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.3743    6.7667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  1  0  0  0
  8  9  1  0  0  0  0
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 13 14  2  0  0  0  0
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  9 12  1  0  0  0  0
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  6 25  1  0  0  0  0
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  5 27  1  6  0  0  0
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 27 29  1  0  0  0  0
  4 31  1  6  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,126)
3126

>  <Formula> (3,126)
C19H19ClN3NaO6S

>  <MolWeight> (3,126)
475.87843

>  <Item Name> (3,126)
Cloxacillin sodium

>  <Catalog Number> (3,126)
S2564

>  <Synonyms> (3,126)
Cloxapen, Cloxacap, Orbenin

>  <Target> (3,126)
Antifection

>  <Form> (3,126)
Sodium Salt & hydrate

>  <URL> (3,126)
http://www.selleckchem.com/products/Cloxacillin-sodium-Cloxacap.html

>  <CAS Number> (3,126)
7081-44-9

$$$$
Niacin(acid).cdx
csChFnd80/10101813242D

  9  9  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
    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 N   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
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    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  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,127)
3127

>  <Formula> (3,127)
C6H5NO2

>  <MolWeight> (3,127)
123.1094

>  <Item Name> (3,127)
Niacin (Nicotinic acid)

>  <Catalog Number> (3,127)
S1744 

>  <Synonyms> (3,127)
Vitamin B3, Niacinamide, Nicotinic acid

>  <Target> (3,127)
Vitamin

>  <Form> (3,127)
Free Base

>  <URL> (3,127)
http://www.selleckchem.com/products/Niacin(Nicotinic-acid).html

>  <CAS Number> (3,127)
59-67-6

$$$$
Cortisone acetate.cdx
csChFnd80/10101813242D

 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  0  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
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    0.0000    0.0024    0.0000 O   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
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3312    5.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6958    5.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6294    4.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1270    6.8297    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
    7.2704    5.6000    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
    9.9542    4.2703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 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> (3,128)
3128

>  <Formula> (3,128)
C23H30O6

>  <MolWeight> (3,128)
402.4807

>  <Item Name> (3,128)
Cortisone acetate (Cortone)

>  <Catalog Number> (3,128)
S2559

>  <Synonyms> (3,128)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (3,128)
Glucocorticoid Receptor

>  <Form> (3,128)
Free Base

>  <URL> (3,128)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

>  <CAS Number> (3,128)
50-04-4

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/10101813242D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4472    1.4972    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
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  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
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,129)
3129

>  <Formula> (3,129)
C11H18ClNO3

>  <MolWeight> (3,129)
247.71852

>  <Item Name> (3,129)
Isoprenaline hydrochloride

>  <Catalog Number> (3,129)
S2566

>  <Synonyms> (3,129)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (3,129)
Adrenergic Receptor

>  <Form> (3,129)
Hydrochloride

>  <URL> (3,129)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

>  <CAS Number> (3,129)
51-30-9

$$$$
BKM-120.cdx
csChFnd80/10101813242D

 29 32  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Liver X Receptor

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405911-17-3

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Cathepsin K

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603139-19-1

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>  <Mol_ID> (3,168)
3168

>  <Formula> (3,168)
C26H32F2O7

>  <MolWeight> (3,168)
494.5248864

>  <Item Name> (3,168)
Fluocinonide (Vanos)

>  <Catalog Number> (3,168)
S2608

>  <Synonyms> (3,168)
Fluonex, Lidex, Lidex-E, Lonide, Lyderm 

>  <Target> (3,168)
Glucocorticoid Receptor

>  <Form> (3,168)
Free Base

>  <URL> (3,168)
http://www.selleckchem.com/products/Fluocinonide(Vanos).html

>  <CAS Number> (3,168)
356-12-7

$$$$
Ginkgolide A.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,169)
3169

>  <Formula> (3,169)
C20H24O9

>  <MolWeight> (3,169)
408.39916

>  <Item Name> (3,169)
Ginkgolide A

>  <Catalog Number> (3,169)
S2026

>  <Synonyms> (3,169)
BN52020

>  <Target> (3,169)
GABA Receptor

>  <Form> (3,169)
Free Base

>  <URL> (3,169)
http://www.selleckchem.com/products/ginkgolide-a.html

>  <CAS Number> (3,169)
15291-75-5

$$$$
Curcumin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,170)
3170

>  <Formula> (3,170)
C21H20O6

>  <MolWeight> (3,170)
368.3799

>  <Item Name> (3,170)
Curcumin

>  <Catalog Number> (3,170)
S1848

>  <Synonyms> (3,170)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (3,170)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (3,170)
Free Base

>  <URL> (3,170)
http://www.selleckchem.com/products/Curcumin.html

>  <CAS Number> (3,170)
458-37-7

$$$$
Ciproxifan.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,171)
3171

>  <Formula> (3,171)
C20H22N2O6

>  <MolWeight> (3,171)
386.39848

>  <Item Name> (3,171)
Ciproxifan Maleate

>  <Catalog Number> (3,171)
S2813

>  <Synonyms> (3,171)
FUB 359

>  <Target> (3,171)
Histamine Receptor 

>  <Form> (3,171)
Maleate

>  <URL> (3,171)
http://www.selleckchem.com/products/ciproxifan.html

>  <CAS Number> (3,171)
184025-19-2

$$$$
LY2603618.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,172)
3172

>  <Formula> (3,172)
C18H22BrN5O3

>  <MolWeight> (3,172)
436.30298

>  <Item Name> (3,172)
LY2603618 (IC-83)

>  <Catalog Number> (3,172)
S2626

>  <Synonyms> (3,172)
N/A 

>  <Target> (3,172)
Chk

>  <Form> (3,172)
Free Base

>  <URL> (3,172)
http://www.selleckchem.com/products/LY2603618-IC-83.html

>  <CAS Number> (3,172)
911222-45-2

$$$$
Prednisolone acetate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,173)
3173

>  <Formula> (3,173)
C23H30O6

>  <MolWeight> (3,173)
402.4807

>  <Item Name> (3,173)
Prednisolone acetate (Omnipred)

>  <Catalog Number> (3,173)
S2570

>  <Synonyms> (3,173)
Omnipred

>  <Target> (3,173)
Glucocorticoid Receptor

>  <Form> (3,173)
Free Base

>  <URL> (3,173)
http://www.selleckchem.com/products/Prednisolone-acetate-Omnipred.html

>  <CAS Number> (3,173)
52-21-1

$$$$
Dimethyl Fumarate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,174)
3174

>  <Formula> (3,174)
C6H8O4

>  <MolWeight> (3,174)
144.12532

>  <Item Name> (3,174)
Dimethyl Fumarate

>  <Catalog Number> (3,174)
S2586 

>  <Synonyms> (3,174)
N/A

>  <Target> (3,174)
Others

>  <Form> (3,174)
Free Base

>  <URL> (3,174)
http://www.selleckchem.com/products/dimethyl-Fumarate.html

>  <CAS Number> (3,174)
624-49-7

$$$$
Clinofbrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,175)
3175

>  <Formula> (3,175)
C28H36O6

>  <MolWeight> (3,175)
468.58184

>  <Item Name> (3,175)
Clinofibrate

>  <Catalog Number> (3,175)
S2664

>  <Synonyms> (3,175)
Lipoclin

>  <Target> (3,175)
RAAS

>  <Form> (3,175)
Free Base

>  <URL> (3,175)
http://www.selleckchem.com/products/clinofibrate.html

>  <CAS Number> (3,175)
30299-08-2

$$$$
GSK1120212.cdx
csChFnd80/10101813242D

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Free Base

>  <URL> (3,179)
http://www.selleckchem.com/products/pf-04929113.html

>  <CAS Number> (3,179)
908115-27-5

$$$$
ADL5859.cdx
csChFnd80/10101813242D

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ADL5859 HCl

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>  <Synonyms> (3,180)
N/A 

>  <Target> (3,180)
Opioid Receptor

>  <Form> (3,180)
Hydrochloride

>  <URL> (3,180)
http://www.selleckchem.com/products/ADL-5859.html

>  <CAS Number> (3,180)
850173-95-4

$$$$
BMY7378.cdx
csChFnd80/10101813242D

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>  <Formula> (3,181)
C22H33Cl2N3O3

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>  <Item Name> (3,181)
BMY 7378 Dihydrochloride

>  <Catalog Number> (3,181)
S2691

>  <Synonyms> (3,181)
N/A

>  <Target> (3,181)
5-HT Receptor

>  <Form> (3,181)
Dihydrochloride

>  <URL> (3,181)
http://www.selleckchem.com/products/bmy-7378.html

>  <CAS Number> (3,181)
21102-95-4

$$$$
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csChFnd80/10101813242D

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>  <Synonyms> (3,182)
N/A

>  <Target> (3,182)
PPAR

>  <Form> (3,182)
Free Base

>  <URL> (3,182)
http://www.selleckchem.com/products/ciprofibrate.html

>  <CAS Number> (3,182)
52214-84-3

$$$$
PHA-665752.cdx
csChFnd80/10101813242D

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c-Met

>  <Form> (3,183)
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>  <URL> (3,183)
http://www.selleckchem.com/products/PHA-665752.html

>  <CAS Number> (3,183)
477575-56-7

$$$$
Amoxicillin sodium.cdx
csChFnd80/10101813242D

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Amoxicillin sodium (Amox)

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Amoxycillin 

>  <Target> (3,184)
Antifection

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Sodium Salt

>  <URL> (3,184)
http://www.selleckchem.com/products/amoxicillin-(amox).html

>  <CAS Number> (3,184)
34642-77-8

$$$$
Geldanamycin.cdx
csChFnd80/10101813242D

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Geldanamycin

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S2713

>  <Synonyms> (3,185)
N/A

>  <Target> (3,185)
HSP

>  <Form> (3,185)
Free Base

>  <URL> (3,185)
http://www.selleckchem.com/products/geldanamycin.html

>  <CAS Number> (3,185)
30562-34-6

$$$$
A769662.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,186)
3186

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A-769662

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S2697

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N/A

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AMPK

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Free Base

>  <URL> (3,186)
http://www.selleckchem.com/products/a-769662.html

>  <CAS Number> (3,186)
844499-71-4

$$$$
BRL15572.cdx
csChFnd80/10101813242D

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>  <Synonyms> (3,187)
N/A

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>  <Form> (3,187)
Dihydrochloride

>  <URL> (3,187)
http://www.selleckchem.com/products/brl-15572.html

>  <CAS Number> (3,187)
193611-72-2

$$$$
KX2-391.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,199)
3199

>  <Formula> (3,199)
C14H16ClF2N3S

>  <MolWeight> (3,199)
331.8117464

>  <Item Name> (3,199)
Nepicastat hydrochloride

>  <Catalog Number> (3,199)
S2695

>  <Synonyms> (3,199)
SYN117

>  <Target> (3,199)
Hydroxylase

>  <Form> (3,199)
Hydrochloride

>  <URL> (3,199)
http://www.selleckchem.com/products/nepicastat-hydrochloride.html

>  <CAS Number> (3,199)
170151-24-3

$$$$
Brompheniramine maleate.cdx
csChFnd80/10101813242D

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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,200)
3200

>  <Formula> (3,200)
C20H23BrN2O4

>  <MolWeight> (3,200)
435.31162

>  <Item Name> (3,200)
Brompheniramine hydrogen maleate

>  <Catalog Number> (3,200)
S2585

>  <Synonyms> (3,200)
N/A

>  <Target> (3,200)
Histamine Receptor

>  <Form> (3,200)
Maleate

>  <URL> (3,200)
http://www.selleckchem.com/products/brompheniramine.html

>  <CAS Number> (3,200)
980-71-2

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/10101813242D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.0404    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2528    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    5.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    6.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3393    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5518    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7642    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7642    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5518    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3393    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1311    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9229    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  5 14  1  0  0  0  0
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 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,201)
3201

>  <Formula> (3,201)
C24H26N2O4

>  <MolWeight> (3,201)
406.47424

>  <Item Name> (3,201)
Carvedilol

>  <Catalog Number> (3,201)
S1831

>  <Synonyms> (3,201)
Coreg, Dilatrend

>  <Target> (3,201)
Adrenergic Receptor

>  <Form> (3,201)
Free Base

>  <URL> (3,201)
http://www.selleckchem.com/products/carvedilol.html

>  <CAS Number> (3,201)
72956-09-3

$$$$
Phenylephrine hydrochloride.cdx
csChFnd80/10101813242D

 14 13  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
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 12  1  1  0  0  0
  8 13  1  6  0  0  0
M  END
>  <Mol_ID> (3,202)
3202

>  <Formula> (3,202)
C9H14ClNO2

>  <MolWeight> (3,202)
203.66596

>  <Item Name> (3,202)
Phenylephrine hydrochloride

>  <Catalog Number> (3,202)
S2569

>  <Synonyms> (3,202)
N/A

>  <Target> (3,202)
Adrenergic Receptor

>  <Form> (3,202)
Hydrochloride

>  <URL> (3,202)
http://www.selleckchem.com/products/Phenylephrine-hydrochloride.html

>  <CAS Number> (3,202)
61-76-7

$$$$
ADONITOL.cdx
csChFnd80/10101813242D

 10  9  0  0  0  0  0  0  0  0999 V2000
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    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  4 10  1  1  0  0  0
M  END
>  <Mol_ID> (3,203)
3203

>  <Formula> (3,203)
C5H12O5

>  <MolWeight> (3,203)
152.14578

>  <Item Name> (3,203)
Ribitol (Adonitol)

>  <Catalog Number> (3,203)
S2612 

>  <Synonyms> (3,203)
Adonite 
)

>  <Target> (3,203)
Antifection

>  <Form> (3,203)
Free Base

>  <URL> (3,203)
http://www.selleckchem.com/products/ribitol-adonitol.html

>  <CAS Number> (3,203)
488-81-3 

$$$$

csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,204)
3204

>  <Formula> (3,204)
C16H25ClN2O

>  <MolWeight> (3,204)
296.8355

>  <Item Name> (3,204)
Ropinirole HCl

>  <Catalog Number> (3,204)
S3189

>  <Synonyms> (3,204)
N/A 

>  <Target> (3,204)
Dopamine Receptor

>  <Form> (3,204)
HCl

>  <URL> (3,204)
http://www.selleckchem.com/products/ropinirole-hydrochloride.html

>  <CAS Number> (3,204)
91374-20-8

$$$$
(+,-)-Octopamine hydrochloride.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
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    6.0496    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,205)
3205

>  <Formula> (3,205)
C8H12ClNO2

>  <MolWeight> (3,205)
189.63938

>  <Item Name> (3,205)
(+,-)-Octopamine HCl

>  <Catalog Number> (3,205)
S3188

>  <Synonyms> (3,205)
N/A 

>  <Target> (3,205)
Dopamine Receptor

>  <Form> (3,205)
HCl

>  <URL> (3,205)
http://www.selleckchem.com/products/octopamine-hcl.html

>  <CAS Number> (3,205)
770-05-8

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/10101813242D

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C21H21Cl2NO5

>  <MolWeight> (3,206)
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>  <Item Name> (3,206)
Flavopiridol (Alvocidib) HCl

>  <Catalog Number> (3,206)
S2679

>  <Synonyms> (3,206)
N/A

>  <Target> (3,206)
CDK

>  <Form> (3,206)
Hydrochloride

>  <URL> (3,206)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

>  <CAS Number> (3,206)
131740-09-5

$$$$
PH797804.cdx
csChFnd80/10101813242D

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>  <MolWeight> (3,207)
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>  <Item Name> (3,207)
PH-797804

>  <Catalog Number> (3,207)
S2726

>  <Synonyms> (3,207)
N/A

>  <Target> (3,207)
p38 MAPK

>  <Form> (3,207)
Free Base

>  <URL> (3,207)
http://www.selleckchem.com/products/ph-797804.html

>  <CAS Number> (3,207)
586379-66-0

$$$$
PF299804.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,208)
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C24H25ClFN5O2

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>  <Item Name> (3,208)
Dacomitinib (PF299804, PF-00299804)

>  <Catalog Number> (3,208)
S2727

>  <Synonyms> (3,208)
N/A

>  <Target> (3,208)
EGFR

>  <Form> (3,208)
Free Base

>  <URL> (3,208)
http://www.selleckchem.com/products/pf299804.html

>  <CAS Number> (3,208)
1110813-31-4

$$$$
SB415286.cdx
csChFnd80/10101813242D

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GSK-3

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http://www.selleckchem.com/products/sb-415286.html

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264218-23-7

$$$$
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>  <Mol_ID> (3,214)
3214

>  <Formula> (3,214)
C26H29N5O2

>  <MolWeight> (3,214)
443.54076

>  <Item Name> (3,214)
Crenolanib (CP-868596)

>  <Catalog Number> (3,214)
S2730 

>  <Synonyms> (3,214)
N/A 

>  <Target> (3,214)
PDGFR

>  <Form> (3,214)
Free Base

>  <URL> (3,214)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

>  <CAS Number> (3,214)
670220-88-9

$$$$
Erdosteine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,215)
3215

>  <Formula> (3,215)
C8H11NO4S2

>  <MolWeight> (3,215)
249.30724

>  <Item Name> (3,215)
Erdosteine

>  <Catalog Number> (3,215)
S1825

>  <Synonyms> (3,215)
N/A

>  <Target> (3,215)
Others

>  <Form> (3,215)
Free Base

>  <URL> (3,215)
http://www.selleckchem.com/products/erdosteine.html

>  <CAS Number> (3,215)
84611-23-4 

$$$$
BENICAR (olmesartan medoxomil).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,216)
3216

>  <Formula> (3,216)
C29H30N6O6

>  <MolWeight> (3,216)
558.5851

>  <Item Name> (3,216)
Olmesartan medoxomil (Benicar)

>  <Catalog Number> (3,216)
S1604

>  <Synonyms> (3,216)
Olmetec 

>  <Target> (3,216)
RAAS

>  <Form> (3,216)
Free Base

>  <URL> (3,216)
http://www.selleckchem.com/products/olmesartan-medoxomil-Benicar.html

>  <CAS Number> (3,216)
144689-63-4

$$$$
PAC1.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,217)
3217

>  <Formula> (3,217)
C23H28N4O2

>  <MolWeight> (3,217)
392.49402

>  <Item Name> (3,217)
PAC-1

>  <Catalog Number> (3,217)
S2738

>  <Synonyms> (3,217)
Procaspase activating compound 1

>  <Target> (3,217)
Caspase

>  <Form> (3,217)
Free Base

>  <URL> (3,217)
http://www.selleckchem.com/products/pac-1.html

>  <CAS Number> (3,217)
315183-21-2

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10101813242D

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>  <Formula> (3,218)
C20H22ClN3O2

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371.86058

>  <Item Name> (3,218)
Tubastatin A hydrochloride

>  <Catalog Number> (3,218)
S2627 

>  <Synonyms> (3,218)
N/A

>  <Target> (3,218)
HDAC

>  <Form> (3,218)
Hydrochloride

>  <URL> (3,218)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

>  <CAS Number> (3,218)
1310693-92-5

$$$$
AG-1478.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,219)
3219

>  <Formula> (3,219)
C16H14ClN3O2

>  <MolWeight> (3,219)
315.75426

>  <Item Name> (3,219)
AG-1478 (Tyrphostin AG-1478)

>  <Catalog Number> (3,219)
S2728

>  <Synonyms> (3,219)
Tyrphostin AG-1478

>  <Target> (3,219)
EGFR

>  <Form> (3,219)
Free Base

>  <URL> (3,219)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

>  <CAS Number> (3,219)
153436-53-4

$$$$
PF-04691502.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,220)
3220

>  <Formula> (3,220)
C22H27N5O4

>  <MolWeight> (3,220)
425.48088

>  <Item Name> (3,220)
PF-04691502

>  <Catalog Number> (3,220)
S2743

>  <Synonyms> (3,220)
N/A

>  <Target> (3,220)
mTOR, PI3K, Akt

>  <Form> (3,220)
Free Base

>  <URL> (3,220)
http://www.selleckchem.com/products/pf-04691502.html

>  <CAS Number> (3,220)
1013101-36-4 

$$$$
Adenine hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,221)
3221

>  <Formula> (3,221)
C5H6ClN5

>  <MolWeight> (3,221)
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>  <Item Name> (3,221)
Adenine hydrochloride

>  <Catalog Number> (3,221)
S1983

>  <Synonyms> (3,221)
N/A

>  <Target> (3,221)
DNA/RNA Synthesis

>  <Form> (3,221)
Hydrochloride

>  <URL> (3,221)
http://www.selleckchem.com/products/adenine-hydrochloride.html

>  <CAS Number> (3,221)
2922-28-3 

$$$$
Benidipine hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,222)
3222

>  <Formula> (3,222)
C28H32ClN3O6

>  <MolWeight> (3,222)
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>  <Item Name> (3,222)
Benidipine hydrochloride

>  <Catalog Number> (3,222)
S2017

>  <Synonyms> (3,222)
N/A

>  <Target> (3,222)
calcium channel

>  <Form> (3,222)
Hydrochloride

>  <URL> (3,222)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

>  <CAS Number> (3,222)
91599-74-5

$$$$
Clorsulon.cdx
csChFnd80/10101813242D

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Clorsulon

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S2613 

>  <Synonyms> (3,223)
N/A

>  <Target> (3,223)
Antifection

>  <Form> (3,223)
Free Base

>  <URL> (3,223)
http://www.selleckchem.com/products/clorsulon.html

>  <CAS Number> (3,223)
60200-06-8

$$$$
RS-127445.cdx
csChFnd80/10101813242D

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C17H16FN3

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>  <Item Name> (3,224)
RS-127445

>  <Catalog Number> (3,224)
S2698

>  <Synonyms> (3,224)
N/A

>  <Target> (3,224)
5-HT Receptor

>  <Form> (3,224)
Free Base

>  <URL> (3,224)
http://www.selleckchem.com/products/rs-127445.html

>  <CAS Number> (3,224)
199864-87-3

$$$$
Fluticasone propionate.cdx
csChFnd80/10101813242D

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>  <Formula> (3,225)
C25H31F3O5S

>  <MolWeight> (3,225)
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>  <Item Name> (3,225)
Fluticasone propionate (Flonase, Veramyst)

>  <Catalog Number> (3,225)
S1992

>  <Synonyms> (3,225)
N/A 

>  <Target> (3,225)
Glucocorticoid Receptor

>  <Form> (3,225)
Free Base

>  <URL> (3,225)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

>  <CAS Number> (3,225)
80474-14-2

$$$$
Formoterol fumarate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,226)
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C42H52N4O12

>  <MolWeight> (3,226)
804.88188

>  <Item Name> (3,226)
Formoterol hemifumarate

>  <Catalog Number> (3,226)
S2020

>  <Synonyms> (3,226)
N/A

>  <Target> (3,226)
Adrenergic Receptor

>  <Form> (3,226)
Hemifumarate

>  <URL> (3,226)
http://www.selleckchem.com/products/formoterol-hemifumarate.html

>  <CAS Number> (3,226)
43229-80-7

$$$$
Ketotifen fumarate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,227)
3227

>  <Formula> (3,227)
C23H23NO5S

>  <MolWeight> (3,227)
425.49742

>  <Item Name> (3,227)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (3,227)
S2024

>  <Synonyms> (3,227)
N/A 

>  <Target> (3,227)
Histamine Receptor

>  <Form> (3,227)
Fumarate 

>  <URL> (3,227)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (3,227)
34580-14-8

$$$$
Lacidipine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,228)
3228

>  <Formula> (3,228)
C26H33NO6

>  <MolWeight> (3,228)
455.54332

>  <Item Name> (3,228)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (3,228)
S1994

>  <Synonyms> (3,228)
Lacipil, Motens

>  <Target> (3,228)
Calcium Channel 

>  <Form> (3,228)
Free Base

>  <URL> (3,228)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (3,228)
103890-78-4

$$$$
MIRTAZAPINE (mirtazapine).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,229)
3229

>  <Formula> (3,229)
C17H19N3

>  <MolWeight> (3,229)
265.35286

>  <Item Name> (3,229)
Mirtazapine (Remeron, Avanza)

>  <Catalog Number> (3,229)
S2016

>  <Synonyms> (3,229)
N/A 

>  <Target> (3,229)
5-HT Receptor

>  <Form> (3,229)
Free Base

>  <URL> (3,229)
http://www.selleckchem.com/products/mirtazapine-remeron-avanza.html

>  <CAS Number> (3,229)
85650-52-8 

$$$$
Mometasone furoate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,230)
3230

>  <Formula> (3,230)
C27H30Cl2O6

>  <MolWeight> (3,230)
521.4295

>  <Item Name> (3,230)
Mometasone furoate

>  <Catalog Number> (3,230)
S1987

>  <Synonyms> (3,230)
N/A

>  <Target> (3,230)
Glucocorticoid Receptor

>  <Form> (3,230)
Furoate

>  <URL> (3,230)
http://www.selleckchem.com/products/mometasone-furoate.html

>  <CAS Number> (3,230)
83919-23-7

$$$$
Pidotimod.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.5487    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3119    2.2528    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6030    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6130    4.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9553    3.9846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.6834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4617    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 12  9  1  6  0  0  0
  3  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,231)
3231

>  <Formula> (3,231)
C9H12N2O4S

>  <MolWeight> (3,231)
244.26758

>  <Item Name> (3,231)
Pidotimod

>  <Catalog Number> (3,231)
S3106

>  <Synonyms> (3,231)
N/A 

>  <Target> (3,231)
Others

>  <Form> (3,231)
Free Base

>  <URL> (3,231)
http://www.selleckchem.com/products/pidotimod.html

>  <CAS Number> (3,231)
121808-62-6

$$$$
Pyridoxine hydrochloride.cdx
csChFnd80/10101813242D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.6461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9275    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
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  2  7  1  0  0  0  0
  9 10  1  0  0  0  0
  3  9  1  0  0  0  0
  5 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,232)
3232

>  <Formula> (3,232)
C8H12ClNO3

>  <MolWeight> (3,232)
205.63878

>  <Item Name> (3,232)
Pyridoxine hydrochloride

>  <Catalog Number> (3,232)
S3113

>  <Synonyms> (3,232)
N/A 

>  <Target> (3,232)
Vitamin

>  <Form> (3,232)
Hydrochloride

>  <URL> (3,232)
http://www.selleckchem.com/products/pyridoxine-hydrochloride.html

>  <CAS Number> (3,232)
58-56-0

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/10101813242D

 20 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    3.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    3.5098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7758    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  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
  5 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
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 12 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,233)
3233

>  <Formula> (3,233)
C15H25ClN2O2

>  <MolWeight> (3,233)
300.8242

>  <Item Name> (3,233)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (3,233)
S2573 

>  <Synonyms> (3,233)
N/A 

>  <Target> (3,233)
Calcium Channel

>  <Form> (3,233)
Hydrochloride 

>  <URL> (3,233)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (3,233)
136-47-0

$$$$
Urapidil hydrochloride.cdx
csChFnd80/10101813242D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.7910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.5983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.6983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.2983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    5.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    0.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    2.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    3.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    4.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7805    0.0000    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  2  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
  6  8  2  0  0  0  0
  2  9  2  0  0  0  0
  1 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
 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 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 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 21  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,234)
3234

>  <Formula> (3,234)
C20H30ClN5O3

>  <MolWeight> (3,234)
423.9369

>  <Item Name> (3,234)
Urapidil hydrochloride

>  <Catalog Number> (3,234)
S2025

>  <Synonyms> (3,234)
N/A

>  <Target> (3,234)
5-HT Receptor

>  <Form> (3,234)
Hydrochloride

>  <URL> (3,234)
http://www.selleckchem.com/products/urapidil-hydrochloride.html

>  <CAS Number> (3,234)
64887-14-5

$$$$
Albendazole oxide.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8329    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    3.8182    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8122    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5097    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8122    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9049    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6049    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  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  5  1  0  0  0  0
  1 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
 10 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,235)
3235

>  <Formula> (3,235)
C12H15N3O3S

>  <MolWeight> (3,235)
281.3308

>  <Item Name> (3,235)
Albendazole Oxide (Ricobendazole)

>  <Catalog Number> (3,235)
S1836

>  <Synonyms> (3,235)
N/A 

>  <Target> (3,235)
Microtubule Associated

>  <Form> (3,235)
Free Base

>  <URL> (3,235)
http://www.selleckchem.com/products/albendazole-oxide-ricobendazole.html

>  <CAS Number> (3,235)
54029-12-8

$$$$
Alibendol.cdx
csChFnd80/10101813242D

 18 18  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
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  3  9  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,236)
3236

>  <Formula> (3,236)
C13H17NO4

>  <MolWeight> (3,236)
251.27838

>  <Item Name> (3,236)
Alibendol

>  <Catalog Number> (3,236)
S1928

>  <Synonyms> (3,236)
N/A

>  <Target> (3,236)
Others

>  <Form> (3,236)
Free Base

>  <URL> (3,236)
http://www.selleckchem.com/products/alibendol.html

>  <CAS Number> (3,236)
26750-81-2

$$$$
Aspartame.cdx
csChFnd80/10101813242D

 21 21  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
    2.4291    2.1024    0.0000 C   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
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    8.4955    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
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  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 19 20  2  0  0  0  0
 20 13  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (3,237)
3237

>  <Formula> (3,237)
C14H18N2O5

>  <MolWeight> (3,237)
294.30312

>  <Item Name> (3,237)
Aspartame

>  <Catalog Number> (3,237)
S2036

>  <Synonyms> (3,237)
Nutrasweet

>  <Target> (3,237)
Others

>  <Form> (3,237)
Free Base

>  <URL> (3,237)
http://www.selleckchem.com/products/aspartame.html

>  <CAS Number> (3,237)
22839-47-0

$$$$
Bifonazole.cdx
csChFnd80/10101813242D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  7  9  1  0  0  0  0
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 10 11  2  0  0  0  0
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 13  9  1  0  0  0  0
  8 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  8  1  0  0  0  0
 16 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
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,238)
3238

>  <Formula> (3,238)
C22H18N2

>  <MolWeight> (3,238)
310.39172

>  <Item Name> (3,238)
Bifonazole

>  <Catalog Number> (3,238)
S1854

>  <Synonyms> (3,238)
N/A

>  <Target> (3,238)
Antifection

>  <Form> (3,238)
Free Base

>  <URL> (3,238)
http://www.selleckchem.com/products/bifonazole.html

>  <CAS Number> (3,238)
60628-96-8

$$$$
Butoconazole nitrate.cdx
csChFnd80/10101813242D

 29 30  0  0  0  0  0  0  0  0999 V2000
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    1.2124    4.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9707    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0707    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    7.7707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1159    9.8659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.0716    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  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
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  6 14  1  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
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 15 20  2  0  0  0  0
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 24 15  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,239)
3239

>  <Formula> (3,239)
C19H18Cl3N3O3S

>  <MolWeight> (3,239)
474.78852

>  <Item Name> (3,239)
Butoconazole nitrate

>  <Catalog Number> (3,239)
S1833

>  <Synonyms> (3,239)
N/A

>  <Target> (3,239)
Antifection

>  <Form> (3,239)
Nitrate

>  <URL> (3,239)
http://www.selleckchem.com/products/butoconazole-nitrate.html

>  <CAS Number> (3,239)
64872-77-1

$$$$
Ganciclovir.cdx
csChFnd80/10101813242D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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 11 13  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,240)
3240

>  <Formula> (3,240)
C9H13N5O4

>  <MolWeight> (3,240)
255.23062

>  <Item Name> (3,240)
Ganciclovir

>  <Catalog Number> (3,240)
S1878

>  <Synonyms> (3,240)
Cytovene

>  <Target> (3,240)
Antifection

>  <Form> (3,240)
Free Base

>  <URL> (3,240)
http://www.selleckchem.com/products/ganciclovir.html

>  <CAS Number> (3,240)
82410-32-0

$$$$
Phentolamine mesilate.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    3.6373    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  0  0  0  0
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 15  3  1  0  0  0  0
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M  END
>  <Mol_ID> (3,241)
3241

>  <Formula> (3,241)
C18H23N3O4S

>  <MolWeight> (3,241)
377.45792

>  <Item Name> (3,241)
Phentolamine Mesylate 

>  <Catalog Number> (3,241)
S2038

>  <Synonyms> (3,241)
Regitine

>  <Target> (3,241)
adrenergic receptor

>  <Form> (3,241)
Mesylate 

>  <URL> (3,241)
http://www.selleckchem.com/products/phentolamine-mesilate.html

>  <CAS Number> (3,241)
65-28-1

$$$$
Sulphadimethoxine.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.0538    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,242)
3242

>  <Formula> (3,242)
C12H14N4O4S

>  <MolWeight> (3,242)
310.32896

>  <Item Name> (3,242)
Sulphadimethoxine

>  <Catalog Number> (3,242)
S1962

>  <Synonyms> (3,242)
Di-Methox, Albon

>  <Target> (3,242)
Antifection

>  <Form> (3,242)
Free Base

>  <URL> (3,242)
http://www.selleckchem.com/products/sulphadimethoxine.html

>  <CAS Number> (3,242)
122-11-2

$$$$
Uridine.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0  0  0  0
 11 14  1  1  0  0  0
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 12 16  1  6  0  0  0
 13 17  1  6  0  0  0
M  END
>  <Mol_ID> (3,243)
3243

>  <Formula> (3,243)
C9H12N2O6

>  <MolWeight> (3,243)
244.20138

>  <Item Name> (3,243)
Uridine

>  <Catalog Number> (3,243)
S2029

>  <Synonyms> (3,243)
N/A

>  <Target> (3,243)
DNA/RNA Synthesis

>  <Form> (3,243)
Free Base

>  <URL> (3,243)
http://www.selleckchem.com/products/uridine.html

>  <CAS Number> (3,243)
58-96-8

$$$$
ENALAPRILAT (enalaprilat).cdx
csChFnd80/10101813242D

 27 26  0  0  0  0  0  0  0  0999 V2000
    7.0393    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0393    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6724    2.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0889    2.8700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
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 22 17  1  0  0  0  0
 14 13  1  0  0  0  0
 19 23  1  1  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,244)
3244

>  <Formula> (3,244)
C18H28N2O7

>  <MolWeight> (3,244)
384.42412

>  <Item Name> (3,244)
Enalaprilat dihydrate

>  <Catalog Number> (3,244)
S1657

>  <Synonyms> (3,244)
N/A

>  <Target> (3,244)
RAAS

>  <Form> (3,244)
Dihydrate

>  <URL> (3,244)
http://www.selleckchem.com/products/Enalaprilat.html

>  <CAS Number> (3,244)
84680-54-6 

$$$$
Cefoperazone acid.cdx
csChFnd80/10101813242D

 45 49  0  0  0  0  0  0  0  0999 V2000
    5.8404   11.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6322   12.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 45  1  6  0  0  0
M  END
>  <Mol_ID> (3,245)
3245

>  <Formula> (3,245)
C25H27N9O8S2

>  <MolWeight> (3,245)
645.66738

>  <Item Name> (3,245)
Cefoperazone (Cefobid)

>  <Catalog Number> (3,245)
S1611

>  <Synonyms> (3,245)
N/A 

>  <Target> (3,245)
Antifection

>  <Form> (3,245)
Free Base

>  <URL> (3,245)
http://www.selleckchem.com/products/cefoperazone-cefobid.html

>  <CAS Number> (3,245)
62893-19-0

$$$$
Acemetacin.cdx
csChFnd80/10101813242D

 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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M  END
>  <Mol_ID> (3,246)
3246

>  <Formula> (3,246)
C21H18ClNO6

>  <MolWeight> (3,246)
415.82372

>  <Item Name> (3,246)
Acemetacin (Emflex)

>  <Catalog Number> (3,246)
S2602

>  <Synonyms> (3,246)
N/A 

>  <Target> (3,246)
COX

>  <Form> (3,246)
Free Base

>  <URL> (3,246)
http://www.selleckchem.com/products/acemetacin-emflex.html

>  <CAS Number> (3,246)
53164-05-9

$$$$
NATACYN (natamycin).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,247)
3247

>  <Formula> (3,247)
C33H47NO13

>  <MolWeight> (3,247)
665.72518

>  <Item Name> (3,247)
Natamycin

>  <Catalog Number> (3,247)
S1517

>  <Synonyms> (3,247)
Pimaricin

>  <Target> (3,247)
Antifection

>  <Form> (3,247)
Free Base

>  <URL> (3,247)
http://www.selleckchem.com/products/Natamycin(Pimaricin).htm

>  <CAS Number> (3,247)
7681-93-8

$$$$
Nystatin (Fungicidin).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,248)
3248

>  <Formula> (3,248)
C47H75NO17

>  <MolWeight> (3,248)
926.0949

>  <Item Name> (3,248)
Nystatin (Fungicidin)

>  <Catalog Number> (3,248)
S1934

>  <Synonyms> (3,248)
N/A

>  <Target> (3,248)
Others

>  <Form> (3,248)
Free Base

>  <URL> (3,248)
http://www.selleckchem.com/products/Nystatin(Mycostatin).htm

>  <CAS Number> (3,248)
1400-61-9

$$$$
Buflomedil hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,249)
3249

>  <Formula> (3,249)
C17H26ClNO4

>  <MolWeight> (3,249)
343.84564

>  <Item Name> (3,249)
Buflomedil HCl

>  <Catalog Number> (3,249)
S2607

>  <Synonyms> (3,249)
N/A

>  <Target> (3,249)
Adrenergic Receptor

>  <Form> (3,249)
Hydrochloride

>  <URL> (3,249)
http://www.selleckchem.com/products/auflomedil-hcl.html

>  <CAS Number> (3,249)
35543-24-9

$$$$
Clobetasol propionate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,250)
3250

>  <Formula> (3,250)
C25H32ClFO5

>  <MolWeight> (3,250)
466.9699832

>  <Item Name> (3,250)
Clobetasol propionate

>  <Catalog Number> (3,250)
S2584

>  <Synonyms> (3,250)
N/A

>  <Target> (3,250)
Glucocorticoid Receptor

>  <Form> (3,250)
Free Base

>  <URL> (3,250)
http://www.selleckchem.com/products/clobetasol-propionate.html

>  <CAS Number> (3,250)
25122-46-7

$$$$
Lonidamine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,251)
3251

>  <Formula> (3,251)
C15H10Cl2N2O2

>  <MolWeight> (3,251)
321.1581

>  <Item Name> (3,251)
Lonidamine

>  <Catalog Number> (3,251)
S2610

>  <Synonyms> (3,251)
N/A

>  <Target> (3,251)
Others

>  <Form> (3,251)
Free Base

>  <URL> (3,251)
http://www.selleckchem.com/products/lonidamine.html

>  <CAS Number> (3,251)
50264-69-2

$$$$
L-Thyroxine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,252)
3252

>  <Formula> (3,252)
C15H11I4NO4

>  <MolWeight> (3,252)
776.87002

>  <Item Name> (3,252)
L-Thyroxine

>  <Catalog Number> (3,252)
S2599

>  <Synonyms> (3,252)
N/A

>  <Target> (3,252)
Others

>  <Form> (3,252)
Free Base

>  <URL> (3,252)
http://www.selleckchem.com/products/l-thyroxine.html

>  <CAS Number> (3,252)
51-48-9

$$$$
Miglitol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,253)
3253

>  <Formula> (3,253)
C8H17NO5

>  <MolWeight> (3,253)
207.22428

>  <Item Name> (3,253)
Miglitol (Glyset)

>  <Catalog Number> (3,253)
S2589

>  <Synonyms> (3,253)
N/A 

>  <Target> (3,253)
Others

>  <Form> (3,253)
Free Base

>  <URL> (3,253)
http://www.selleckchem.com/products/miglitol-glyset.html

>  <CAS Number> (3,253)
72432-03-2

$$$$
Phenacetin.cdx
csChFnd80/10101813242D

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C10H13NO2

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Phenacetin

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>  <Synonyms> (3,254)
N/A

>  <Target> (3,254)
COX

>  <Form> (3,254)
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>  <URL> (3,254)
http://www.selleckchem.com/products/phenacetin.html

>  <CAS Number> (3,254)
62-44-2

$$$$
Pioglitazone.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,255)
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>  <Formula> (3,255)
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>  <Item Name> (3,255)
Pioglitazone (Actos)

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S2590

>  <Synonyms> (3,255)
N/A 

>  <Target> (3,255)
PPAR

>  <Form> (3,255)
Free Base

>  <URL> (3,255)
http://www.selleckchem.com/products/pioglitazone-actos.html

>  <CAS Number> (3,255)
111025-46-8

$$$$
Tetracycline hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,256)
3256

>  <Formula> (3,256)
C22H25ClN2O8

>  <MolWeight> (3,256)
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>  <Item Name> (3,256)
Tetracycline hydrochloride

>  <Catalog Number> (3,256)
S2574 

>  <Synonyms> (3,256)
N/A

>  <Target> (3,256)
Antifection

>  <Form> (3,256)
Hydrochloride

>  <URL> (3,256)
http://www.selleckchem.com/products/tetracycline-hydrochloride.html

>  <CAS Number> (3,256)
64-75-5

$$$$
Thiamphenicol.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,257)
3257

>  <Formula> (3,257)
C12H15Cl2NO5S

>  <MolWeight> (3,257)
356.2222

>  <Item Name> (3,257)
Thiamphenicol (Thiophenicol)

>  <Catalog Number> (3,257)
S2583

>  <Synonyms> (3,257)
N/A 

>  <Target> (3,257)
Antifection

>  <Form> (3,257)
Free Base

>  <URL> (3,257)
http://www.selleckchem.com/products/thiamphenicol-thiophenicol.html

>  <CAS Number> (3,257)
15318-45-3

$$$$
Tolfenamic acid.cdx
csChFnd80/10101813242D

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>  <Formula> (3,258)
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>  <Item Name> (3,258)
Tolfenamic acid

>  <Catalog Number> (3,258)
S1959

>  <Synonyms> (3,258)
N/A

>  <Target> (3,258)
COX

>  <Form> (3,258)
Free Base

>  <URL> (3,258)
http://www.selleckchem.com/products/tolfenamic-acid.html

>  <CAS Number> (3,258)
13710-19-5

$$$$
Tolvaptan.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,259)
3259

>  <Formula> (3,259)
C26H25ClN2O3

>  <MolWeight> (3,259)
448.9413

>  <Item Name> (3,259)
Tolvaptan (OPC-41061)

>  <Catalog Number> (3,259)
S2593

>  <Synonyms> (3,259)
Samsca 

>  <Target> (3,259)
Estrogen/progestogen Receptor

>  <Form> (3,259)
Free Base

>  <URL> (3,259)
http://www.selleckchem.com/products/tolvaptan-opc-41061.html

>  <CAS Number> (3,259)
150683-30-0

$$$$
Zidovudine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,260)
3260

>  <Formula> (3,260)
C10H13N5O4

>  <MolWeight> (3,260)
267.24132

>  <Item Name> (3,260)
Zidovudine (Retrovir)

>  <Catalog Number> (3,260)
S2579

>  <Synonyms> (3,260)
azidothymidine

>  <Target> (3,260)
Reverse Transcriptase

>  <Form> (3,260)
Free Base

>  <URL> (3,260)
http://www.selleckchem.com/products/zidovudine-retrovir.html

>  <CAS Number> (3,260)
30516-87-1

$$$$
10-DAB.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,261)
3261

>  <Formula> (3,261)
C29H36O10

>  <MolWeight> (3,261)
544.59014

>  <Item Name> (3,261)
10-DAB (10-Deacetylbaccatin)

>  <Catalog Number> (3,261)
S2409

>  <Synonyms> (3,261)
N/A 

>  <Target> (3,261)
Others

>  <Form> (3,261)
Free Base

>  <URL> (3,261)
http://www.selleckchem.com/products/10-dab-10-deacetylbaccatin.html

>  <CAS Number> (3,261)
32981-86-5

$$$$
Cephalomannine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,262)
3262

>  <Formula> (3,262)
C45H53NO14

>  <MolWeight> (3,262)
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>  <Item Name> (3,262)
Cephalomannine

>  <Catalog Number> (3,262)
S2408

>  <Synonyms> (3,262)
N/A

>  <Target> (3,262)
Others

>  <Form> (3,262)
Free Base

>  <URL> (3,262)
http://www.selleckchem.com/products/cephalomannine.html

>  <CAS Number> (3,262)
71610-00-9

$$$$
Genipin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,263)
3263

>  <Formula> (3,263)
C11H14O5

>  <MolWeight> (3,263)
226.22586

>  <Item Name> (3,263)
Genipin

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S2412

>  <Synonyms> (3,263)
N/A

>  <Target> (3,263)
Others

>  <Form> (3,263)
Free Base

>  <URL> (3,263)
http://www.selleckchem.com/products/genipin.html

>  <CAS Number> (3,263)
6902-77-8

$$$$
Geniposide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,264)
3264

>  <Formula> (3,264)
C17H24O10

>  <MolWeight> (3,264)
388.36646

>  <Item Name> (3,264)
Geniposide

>  <Catalog Number> (3,264)
S2411

>  <Synonyms> (3,264)
N/A

>  <Target> (3,264)
Others

>  <Form> (3,264)
Free Base

>  <URL> (3,264)
http://www.selleckchem.com/products/geniposide.html

>  <CAS Number> (3,264)
24512-63-8

$$$$
Geniposidic acid.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,265)
3265

>  <Formula> (3,265)
C16H22O10

>  <MolWeight> (3,265)
374.33988

>  <Item Name> (3,265)
Geniposidic acid

>  <Catalog Number> (3,265)
S2413

>  <Synonyms> (3,265)
N/A

>  <Target> (3,265)
Immunology & Inflammation related

>  <Form> (3,265)
Free Base

>  <URL> (3,265)
http://www.selleckchem.com/products/geniposidic-acid.html

>  <CAS Number> (3,265)
27741-01-1

$$$$
Gliclazide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,266)
3266

>  <Formula> (3,266)
C15H21N3O3S

>  <MolWeight> (3,266)
323.41054

>  <Item Name> (3,266)
Gliclazide (Diamicron)

>  <Catalog Number> (3,266)
S2601 

>  <Synonyms> (3,266)
N/A 

>  <Target> (3,266)
Potassium Channel

>  <Form> (3,266)
Free Base

>  <URL> (3,266)
http://www.selleckchem.com/products/gliclazide-diamicron.html

>  <CAS Number> (3,266)
21187-98-4

$$$$
Idebenone.cdx
csChFnd80/10101813242D

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Idebenone

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>  <Synonyms> (3,267)
N/A

>  <Target> (3,267)
ROS

>  <Form> (3,267)
Free Base

>  <URL> (3,267)
http://www.selleckchem.com/products/idebenone.html

>  <CAS Number> (3,267)
58186-27-9

$$$$
Paeoniflorin.cdx
csChFnd80/10101813242D

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>  <Formula> (3,268)
C23H28O11

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>  <Item Name> (3,268)
Paeoniflorin

>  <Catalog Number> (3,268)
S2410

>  <Synonyms> (3,268)
N/A

>  <Target> (3,268)
Others

>  <Form> (3,268)
Free Base

>  <URL> (3,268)
http://www.selleckchem.com/products/paeoniflorin.html

>  <CAS Number> (3,268)
23180-57-6 

$$$$
Quinapril hydrochloride.cdx
csChFnd80/10101813242D

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3269

>  <Formula> (3,269)
C25H31ClN2O5

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>  <Item Name> (3,269)
Quinapril hydrochloride (Accupril)

>  <Catalog Number> (3,269)
S2581

>  <Synonyms> (3,269)
N/A 

>  <Target> (3,269)
RAAS

>  <Form> (3,269)
Hydrochloride

>  <URL> (3,269)
http://www.selleckchem.com/products/quinapril-hydrochloride-accupril.html

>  <CAS Number> (3,269)
82586-55-8

$$$$
Scopine.cdx
csChFnd80/10101813242D

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>  <Formula> (3,270)
C8H13NO2

>  <MolWeight> (3,270)
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>  <Item Name> (3,270)
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N/A

>  <Target> (3,270)
Adrenergic Receptor

>  <Form> (3,270)
Free Base

>  <URL> (3,270)
http://www.selleckchem.com/products/scopine.html

>  <CAS Number> (3,270)
498-45-3

$$$$
Atracurium besylate.cdx
csChFnd80/10101813242D

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Atracurium besylate

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AChR

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Dibesylate

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64228-81-5

$$$$
Captopril.cdx
csChFnd80/10101813242D

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Captopril (Capoten)

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S2051

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RAAS

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Free Base

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http://www.selleckchem.com/products/captopril-capoten.html

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62571-86-2

$$$$
Cyproterone acetate.cdx
csChFnd80/10101813242D

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Androgen Receptor/P450

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Free Base

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http://www.selleckchem.com/products/cyproterone-acetate.html

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427-51-0

$$$$
Cytidine.cdx
csChFnd80/10101813242D

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C9H13N3O5

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N/A

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Free Base

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

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65-46-3

$$$$
Doxifluridine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,275)
3275

>  <Formula> (3,275)
C9H11FN2O5

>  <MolWeight> (3,275)
246.1924432

>  <Item Name> (3,275)
Doxifluridine

>  <Catalog Number> (3,275)
S2045

>  <Synonyms> (3,275)
N/A

>  <Target> (3,275)
Phosphorylase

>  <Form> (3,275)
Free Base

>  <URL> (3,275)
http://www.selleckchem.com/products/doxifluridine.html

>  <CAS Number> (3,275)
3094-09-5

$$$$
Gimeracil.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,276)
3276

>  <Formula> (3,276)
C5H4ClNO2

>  <MolWeight> (3,276)
145.54376

>  <Item Name> (3,276)
Gimeracil

>  <Catalog Number> (3,276)
S2055

>  <Synonyms> (3,276)
N/A

>  <Target> (3,276)
Dehydrogenase

>  <Form> (3,276)
Free Base

>  <URL> (3,276)
http://www.selleckchem.com/products/gimeracil.html

>  <CAS Number> (3,276)
103766-25-2

$$$$
Memantine HCl.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,277)
3277

>  <Formula> (3,277)
C12H22ClN

>  <MolWeight> (3,277)
215.76278

>  <Item Name> (3,277)
Memantine hydrochloride (Namenda)

>  <Catalog Number> (3,277)
S2043

>  <Synonyms> (3,277)
N/A 

>  <Target> (3,277)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (3,277)
Hydrochloride

>  <URL> (3,277)
http://www.selleckchem.com/products/memantine-hydrochloride-namenda.html

>  <CAS Number> (3,277)
41100-52-1

$$$$
Metoprolol tartrate.cdx
csChFnd80/10101813242D

 48 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,278)
3278

>  <Formula> (3,278)
C34H56N2O12

>  <MolWeight> (3,278)
684.81464

>  <Item Name> (3,278)
Metoprolol tartrate

>  <Catalog Number> (3,278)
S1856

>  <Synonyms> (3,278)
N/A

>  <Target> (3,278)
Adrenergic Receptor

>  <Form> (3,278)
Tartrate

>  <URL> (3,278)
http://www.selleckchem.com/products/metoprolol-tartrate.html

>  <CAS Number> (3,278)
392-17-7

$$$$
Nimesulide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,279)
3279

>  <Formula> (3,279)
C13H12N2O5S

>  <MolWeight> (3,279)
308.30978

>  <Item Name> (3,279)
Nimesulide

>  <Catalog Number> (3,279)
S2040

>  <Synonyms> (3,279)
N/A

>  <Target> (3,279)
COX

>  <Form> (3,279)
Free Base

>  <URL> (3,279)
http://www.selleckchem.com/products/nimesulide.html

>  <CAS Number> (3,279)
51803-78-2

$$$$
Noradrenaline bitartrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,280)
3280

>  <Formula> (3,280)
C12H19NO10

>  <MolWeight> (3,280)
337.27996

>  <Item Name> (3,280)
Noradrenaline bitartrate monohydrate (Levoph

>  <Catalog Number> (3,280)
S2615

>  <Synonyms> (3,280)
N/A 

>  <Target> (3,280)
Adrenergic Receptor

>  <Form> (3,280)
bitartrate monohydrate

>  <URL> (3,280)
http://www.selleckchem.com/products/noradrenaline-bitartrate-monohydrate-levophed.html

>  <CAS Number> (3,280)
108341-18-0

$$$$
Orphenadrine citrate.cdx
csChFnd80/10101813242D

 33 33  0  0  0  0  0  0  0  0999 V2000
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    2.8098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6500    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2873    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7719    4.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 14  1  1  0  0  0  0
  4 15  2  0  0  0  0
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 30 32  1  0  0  0  0
 24 33  1  0  0  0  0
M  END
>  <Mol_ID> (3,281)
3281

>  <Formula> (3,281)
C24H31NO8

>  <MolWeight> (3,281)
461.50484

>  <Item Name> (3,281)
Orphenadrine citrate (Norflex)

>  <Catalog Number> (3,281)
S2054

>  <Synonyms> (3,281)
N/A 

>  <Target> (3,281)
AChR

>  <Form> (3,281)
Citrate

>  <URL> (3,281)
http://www.selleckchem.com/products/orphenadrine-citrate-norflex.html

>  <CAS Number> (3,281)
4682-36-4

$$$$
Oxytetracycline dihydrate.cdx
csChFnd80/10101813242D

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.7229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
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 18 13  1  0  0  0  0
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  9 32  1  6  0  0  0
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 12 35  1  6  0  0  0
M  END
>  <Mol_ID> (3,282)
3282

>  <Formula> (3,282)
C22H28N2O11

>  <MolWeight> (3,282)
496.46452

>  <Item Name> (3,282)
Oxytetracycline dihydrate

>  <Catalog Number> (3,282)
S2052 

>  <Synonyms> (3,282)
N/A

>  <Target> (3,282)
Others

>  <Form> (3,282)
Dihydrate

>  <URL> (3,282)
http://www.selleckchem.com/products/oxytetracycline-dihydrate.html

>  <CAS Number> (3,282)
6153-64-6

$$$$
Pioglitazone hydrochloride.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  1  0  0  0  0
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M  END
>  <Mol_ID> (3,283)
3283

>  <Formula> (3,283)
C19H21ClN2O3S

>  <MolWeight> (3,283)
392.89964

>  <Item Name> (3,283)
Pioglitazone hydrochloride (Actos)

>  <Catalog Number> (3,283)
S2046

>  <Synonyms> (3,283)
N/A 

>  <Target> (3,283)
P450 (e.g. CYP17)

>  <Form> (3,283)
Hydrochloride

>  <URL> (3,283)
http://www.selleckchem.com/products/pioglitazone-hydrochloride-actos.html

>  <CAS Number> (3,283)
112529-15-4

$$$$
Pramiracetam.cdx
csChFnd80/10101813242D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4595    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,284)
3284

>  <Formula> (3,284)
C14H27N3O2

>  <MolWeight> (3,284)
269.38308

>  <Item Name> (3,284)
Pramiracetam

>  <Catalog Number> (3,284)
S2594

>  <Synonyms> (3,284)
N/A

>  <Target> (3,284)
Others

>  <Form> (3,284)
Free Base

>  <URL> (3,284)
http://www.selleckchem.com/products/pramiracetam.html

>  <CAS Number> (3,284)
68497-62-1

$$$$
TZ-3 (tioconazole)cdx.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,285)
3285

>  <Formula> (3,285)
C16H13Cl3N2OS

>  <MolWeight> (3,285)
387.71122

>  <Item Name> (3,285)
Tioconazole

>  <Catalog Number> (3,285)
S1910

>  <Synonyms> (3,285)
N/A

>  <Target> (3,285)
Antifection

>  <Form> (3,285)
Free Base

>  <URL> (3,285)
http://www.selleckchem.com/products/tioconazole.html

>  <CAS Number> (3,285)
65899-73-2

$$$$
Valaciclovir hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,286)
3286

>  <Formula> (3,286)
C13H21ClN6O4

>  <MolWeight> (3,286)
360.79664

>  <Item Name> (3,286)
Valaciclovir HCl

>  <Catalog Number> (3,286)
S1876

>  <Synonyms> (3,286)
N/A

>  <Target> (3,286)
Antifection

>  <Form> (3,286)
Hydrochloride

>  <URL> (3,286)
http://www.selleckchem.com/products/valaciclovir-hcl.html

>  <CAS Number> (3,286)
124832-27-5 

$$$$

csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,287)
3287

>  <Formula> (3,287)
C58H66O15S2

>  <MolWeight> (3,287)
1067.26564

>  <Item Name> (3,287)
TAK-875

>  <Catalog Number> (3,287)
S2637

>  <Synonyms> (3,287)
N/A

>  <Target> (3,287)
GPR 

>  <Form> (3,287)
Hydrate

>  <URL> (3,287)
http://www.selleckchem.com/products/tak-875.html

>  <CAS Number> (3,287)
1374598-80-7

$$$$
AMG 458.cdx
csChFnd80/10101813242D

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>  <Item Name> (3,291)
PHA-848125

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S2751

>  <Synonyms> (3,291)
N/A

>  <Target> (3,291)
CDK

>  <Form> (3,291)
Free Base

>  <URL> (3,291)
http://www.selleckchem.com/products/pha-848125.html

>  <CAS Number> (3,291)
802539-81-7

$$$$
PENETREX (enoxacin).cdx
csChFnd80/10101813242D

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3292

>  <Formula> (3,292)
C15H17FN4O3

>  <MolWeight> (3,292)
320.3188832

>  <Item Name> (3,292)
Enoxacin (Penetrex)

>  <Catalog Number> (3,292)
S1756

>  <Synonyms> (3,292)
Almitil, Bactidan, Bactidron, Comprecin, Enoksetin, Enoxen, Enroxil, Enoxin, Enoxor, Flumark, Gyrami 

>  <Target> (3,292)
Topoisomerase

>  <Form> (3,292)
Free Base

>  <URL> (3,292)
http://www.selleckchem.com/products/Enoxacin(Penetrex).html

>  <CAS Number> (3,292)
74011-58-8

$$$$
CAPITAL SOLEIL 15 (avobenzone ).cdx
csChFnd80/10101813242D

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3293

>  <Formula> (3,293)
C20H22O3

>  <MolWeight> (3,293)
310.38688

>  <Item Name> (3,293)
Avobenzone (Parsol 1789)

>  <Catalog Number> (3,293)
S1904

>  <Synonyms> (3,293)
Eusolex 9020, Escalol 517, Parsol 1789 

>  <Target> (3,293)
Others

>  <Form> (3,293)
Free Base

>  <URL> (3,293)
http://www.selleckchem.com/products/Avobenzone(Parsol-1789).html

>  <CAS Number> (3,293)
70356-09-1

$$$$
AT13387.cdx
csChFnd80/10101813242D

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>  <Formula> (3,294)
C24H31N3O3

>  <MolWeight> (3,294)
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>  <Item Name> (3,294)
Onalespib (AT13387)

>  <Catalog Number> (3,294)
S1163

>  <Synonyms> (3,294)
N/A

>  <Target> (3,294)
HSP

>  <Form> (3,294)
Free Base

>  <URL> (3,294)
http://www.selleckchem.com/products/at13387.html

>  <CAS Number> (3,294)
912999-49-6

$$$$
AZ628.cdx
csChFnd80/10101813242D

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187235-37-6

$$$$
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$$$$
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Potassium Channel

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19774-82-4

$$$$
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702675-74-9

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95809-78-2

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http://www.selleckchem.com/products/pf-5274857.html

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1373615-35-0

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N/A 

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Free Base

>  <URL> (3,333)
http://www.selleckchem.com/products/laquinimod-abr-215062.html

>  <CAS Number> (3,333)
248281-84-7

$$$$
CP-690550.cdx
csChFnd80/10101813242D

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C16H20N6O

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Tofacitinib (CP-690550, Tasocitinib)

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S2789

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Tasocitinib 

>  <Target> (3,334)
JAK

>  <Form> (3,334)
Free Base

>  <URL> (3,334)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

>  <CAS Number> (3,334)
477600-75-2

$$$$
Istradefylline (KW-6002).cdx
csChFnd80/10101813242D

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>  <Formula> (3,335)
C20H24N4O4

>  <MolWeight> (3,335)
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Istradefylline (KW-6002)

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S2790

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N/A

>  <Target> (3,335)
Adenosine Receptor

>  <Form> (3,335)
Free Base

>  <URL> (3,335)
http://www.selleckchem.com/products/istradefylline-kw-6002.html

>  <CAS Number> (3,335)
155270-99-8

$$$$
Torcetrapib.cdx
csChFnd80/10101813242D

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N/A 

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CETP

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Free Base

>  <URL> (3,336)
http://www.selleckchem.com/products/torcetrapib-cp-529414.html

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262352-17-0

$$$$
WP1066.cdx
csChFnd80/10101813242D

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JAK 

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857064-38-1

$$$$
Ciclopirox ethanolamine.cdx
csChFnd80/10101813242D

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ATPase

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Ethanolamine

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http://www.selleckchem.com/products/ciclopirox-ethanolamine.html

>  <CAS Number> (3,338)
41621-49-2

$$$$
Rimonabant.cdx
csChFnd80/10101813242D

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Rimonabant (SR141716)

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N/A 

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Cannabinoid Receptor 

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Free Base

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http://www.selleckchem.com/products/rimonabant-sr141716.html

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168273-06-1

$$$$
Cabazitaxel.cdx
csChFnd80/10101813242D

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$$$$
Bufexamac.cdx
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10083-24-6

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N/A 

>  <Target> (3,347)
Transferase

>  <Form> (3,347)
Free Base

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http://www.selleckchem.com/products/lonafarnib-sch66336.html

>  <CAS Number> (3,347)
193275-84-2

$$$$
Hydroxyecdysone.cdx
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>  <Formula> (3,348)
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>  <Item Name> (3,348)
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>  <Synonyms> (3,348)
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>  <Target> (3,348)
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>  <Form> (3,348)
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>  <URL> (3,348)
http://www.selleckchem.com/products/20-hydroxyecdysone.html

>  <CAS Number> (3,348)
5289-74-7

$$$$
Sirtinol.cdx
csChFnd80/10101813242D

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>  <URL> (3,349)
http://www.selleckchem.com/products/sirtinol.html

>  <CAS Number> (3,349)
410536-97-9

$$$$
Bindarit.cdx
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>  <Formula> (3,350)
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>  <Item Name> (3,350)
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>  <Synonyms> (3,350)
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>  <Target> (3,350)
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>  <Form> (3,350)
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>  <URL> (3,350)
http://www.selleckchem.com/products/bindarit.html

>  <CAS Number> (3,350)
130641-38-2

$$$$
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3351

>  <Formula> (3,351)
C26H32N2O

>  <MolWeight> (3,351)
388.54508

>  <Item Name> (3,351)
Galeterone (TOK-001)

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S2803

>  <Synonyms> (3,351)
VN124-1 

>  <Target> (3,351)
Androgen Receptor, P450

>  <Form> (3,351)
Free Base

>  <URL> (3,351)
http://www.selleckchem.com/products/galeterone-tok-001.html

>  <CAS Number> (3,351)
851983-85-2

$$$$
NVP-AEW541.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,352)
3352

>  <Formula> (3,352)
C27H29N5O

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>  <Item Name> (3,352)
NVP-AEW541

>  <Catalog Number> (3,352)
S1034

>  <Synonyms> (3,352)
AEW541 

>  <Target> (3,352)
IGF-1R

>  <Form> (3,352)
Free Base

>  <URL> (3,352)
http://www.selleckchem.com/products/NVP-AEW541.html

>  <CAS Number> (3,352)
475489-16-8 

$$$$
Aminoglutethimide .cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,353)
3353

>  <Formula> (3,353)
C13H16N2O2

>  <MolWeight> (3,353)
232.27834

>  <Item Name> (3,353)
Aminoglutethimide (Cytadren)

>  <Catalog Number> (3,353)
S1672

>  <Synonyms> (3,353)
N/A

>  <Target> (3,353)
Aromatase

>  <Form> (3,353)
Free Base

>  <URL> (3,353)
http://www.selleckchem.com/products/Aminoglutethimide(Cytadren).html

>  <CAS Number> (3,353)
125-84-8

$$$$
VISUDYNE (verteporfin).cdx
csChFnd80/10101813242D

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JAK

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Free Base

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http://www.selleckchem.com/products/cep33779.html

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1257704-57-6

$$$$
CI994.cdx
csChFnd80/10101813242D

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PD-123654 

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HDAC

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Free Base

>  <URL> (3,364)
http://www.selleckchem.com/products/ci994-tacedinaline.html

>  <CAS Number> (3,364)
112522-64-2

$$$$
Pravastatin sodium.cdx
csChFnd80/10101813242D

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C23H35NaO7

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Selektine 

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HMG-CoA Reductase

>  <Form> (3,365)
Free Base

>  <URL> (3,365)
http://www.selleckchem.com/products/pravastatin-pravachol.html

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81131-70-6

$$$$
Daunomycin HCL.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,366)
3366

>  <Formula> (3,366)
C27H30ClNO10

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Daunorubicin HCl (Daunomycin HCl)

>  <Catalog Number> (3,366)
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>  <Synonyms> (3,366)
N/A 

>  <Target> (3,366)
Telomerase

>  <Form> (3,366)
Hydrochloride

>  <URL> (3,366)
http://www.selleckchem.com/products/daunorubicin-hcl-daunomycin-hcl.html

>  <CAS Number> (3,366)
23541-50-6

$$$$
NVP-TAE226.cdx
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M  END
>  <Mol_ID> (3,372)
3372

>  <Formula> (3,372)
C13H10N2O4

>  <MolWeight> (3,372)
258.2295

>  <Item Name> (3,372)
Thalidomide

>  <Catalog Number> (3,372)
S1193

>  <Synonyms> (3,372)
Thalomid 

>  <Target> (3,372)
E3 Ligase ,TNF-alpha

>  <Form> (3,372)
Free Base

>  <URL> (3,372)
http://www.selleckchem.com/products/Thalidomide.html

>  <CAS Number> (3,372)
50-35-1

$$$$
Finasteride.cdx
csChFnd80/10101813242D

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  4 29  1  6  0  0  0
 10 30  1  6  0  0  0
 11 31  1  6  0  0  0
M  END
>  <Mol_ID> (3,373)
3373

>  <Formula> (3,373)
C23H36N2O2

>  <MolWeight> (3,373)
372.54414

>  <Item Name> (3,373)
Finasteride

>  <Catalog Number> (3,373)
S1197

>  <Synonyms> (3,373)
N/A 

>  <Target> (3,373)
5-alpha Reductase

>  <Form> (3,373)
Free Base

>  <URL> (3,373)
http://www.selleckchem.com/products/Finasteride.html

>  <CAS Number> (3,373)
98319-26-7

$$$$
Bisoprolol Fumarate.cdx
csChFnd80/10101813242D

 31 30  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1328    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,374)
3374

>  <Formula> (3,374)
C22H35NO8

>  <MolWeight> (3,374)
441.5152

>  <Item Name> (3,374)
Bisoprolol fumarate

>  <Catalog Number> (3,374)
S1206

>  <Synonyms> (3,374)
EMD33512

>  <Target> (3,374)
Adrenergic Receptor

>  <Form> (3,374)
fumarate

>  <URL> (3,374)
http://www.selleckchem.com/products/Bisoprolol-Fumarate.html

>  <CAS Number> (3,374)
104344-23-2

$$$$
Dacarbazine.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,375)
3375

>  <Formula> (3,375)
C6H10N6O

>  <MolWeight> (3,375)
182.1832

>  <Item Name> (3,375)
Dacarbazine (DTIC-Dome)

>  <Catalog Number> (3,375)
S1221

>  <Synonyms> (3,375)
DTIC 

>  <Target> (3,375)
DNA/RNA Synthesis

>  <Form> (3,375)
Free Base

>  <URL> (3,375)
http://www.selleckchem.com/products/Dacarbazine.html

>  <CAS Number> (3,375)
4342-03-4

$$$$
Entecavir hydrate.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,376)
3376

>  <Formula> (3,376)
C12H17N5O4

>  <MolWeight> (3,376)
295.29448

>  <Item Name> (3,376)
Entecavir hydrate

>  <Catalog Number> (3,376)
S1252

>  <Synonyms> (3,376)
Baraclude 

>  <Target> (3,376)
Reverse Transcriptase

>  <Form> (3,376)
Hydrate

>  <URL> (3,376)
http://www.selleckchem.com/products/Entecavir.html

>  <CAS Number> (3,376)
209216-23-9

$$$$
Rufinamide.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,377)
3377

>  <Formula> (3,377)
C10H8F2N4O

>  <MolWeight> (3,377)
238.1935264

>  <Item Name> (3,377)
Rufinamide (Banzel)

>  <Catalog Number> (3,377)
S1256

>  <Synonyms> (3,377)
Banzel 

>  <Target> (3,377)
Sodium Channel

>  <Form> (3,377)
Free Base

>  <URL> (3,377)
http://www.selleckchem.com/products/Rufinamide.html

>  <CAS Number> (3,377)
106308-44-5

$$$$
Acarbose.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,378)
3378

>  <Formula> (3,378)
C25H43NO18

>  <MolWeight> (3,378)
645.60482

>  <Item Name> (3,378)
Acarbose

>  <Catalog Number> (3,378)
S1271

>  <Synonyms> (3,378)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (3,378)
Others

>  <Form> (3,378)
Free Base

>  <URL> (3,378)
http://www.selleckchem.com/products/Acarbose.html

>  <CAS Number> (3,378)
56180-94-0

$$$$

csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,379)
3379

>  <Formula> (3,379)
C19H24BrNO5S2

>  <MolWeight> (3,379)
490.43156

>  <Item Name> (3,379)
Tiotropium Bromide hydrate

>  <Catalog Number> (3,379)
S2547

>  <Synonyms> (3,379)
N/A 

>  <Target> (3,379)
AChR

>  <Form> (3,379)
quaternary-N bromide salt&hy

>  <URL> (3,379)
http://www.selleckchem.com/products/Tiotropium-Bromide-hydrate.html

>  <CAS Number> (3,379)
139404-48-1

$$$$
Tioxolone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,380)
3380

>  <Formula> (3,380)
C7H4O3S

>  <MolWeight> (3,380)
168.16986

>  <Item Name> (3,380)
Tioxolone

>  <Catalog Number> (3,380)
S2603

>  <Synonyms> (3,380)
N/A 

>  <Target> (3,380)
Carbonic Anhydrase

>  <Form> (3,380)
Free Base

>  <URL> (3,380)
http://www.selleckchem.com/products/tioxolone.html

>  <CAS Number> (3,380)
4991-65-5

$$$$
ADX47273.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,381)
3381

>  <Formula> (3,381)
C20H17F2N3O2

>  <MolWeight> (3,381)
369.3646864

>  <Item Name> (3,381)
ADX-47273

>  <Catalog Number> (3,381)
S2690

>  <Synonyms> (3,381)
N/A 

>  <Target> (3,381)
GluR

>  <Form> (3,381)
Free Base

>  <URL> (3,381)
http://www.selleckchem.com/products/adx-47273.html

>  <CAS Number> (3,381)
851881-60-2

$$$$
PHA.cdx
csChFnd80/10101813242D

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PHA-767491

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S2742

>  <Synonyms> (3,382)
N/A 

>  <Target> (3,382)
CDK

>  <Form> (3,382)
Free Base

>  <URL> (3,382)
http://www.selleckchem.com/products/pha-767491.html

>  <CAS Number> (3,382)
845714-00-3

$$$$
Sodium salicylate.cdx
csChFnd80/10101813242D

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>  <Formula> (3,383)
C7H6NaO3

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Sodium salicylate

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S3137

>  <Synonyms> (3,383)
N/A 

>  <Target> (3,383)
NF-¦ÊB

>  <Form> (3,383)
sodium salt

>  <URL> (3,383)
http://www.selleckchem.com/products/sodium-salicylate.html

>  <CAS Number> (3,383)
54-21-7

$$$$
Sulfamerazine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,384)
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>  <Formula> (3,384)
C11H12N4O2S

>  <MolWeight> (3,384)
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Sulfamerazine

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S3132

>  <Synonyms> (3,384)
N/A 

>  <Target> (3,384)
Antifection

>  <Form> (3,384)
Free Base

>  <URL> (3,384)
http://www.selleckchem.com/products/sulfamerazine.html

>  <CAS Number> (3,384)
127-79-7

$$$$
Sulfamethazine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,385)
3385

>  <Formula> (3,385)
C12H14N4O2S

>  <MolWeight> (3,385)
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Sulfamethazine

>  <Catalog Number> (3,385)
S3133

>  <Synonyms> (3,385)
N/A 

>  <Target> (3,385)
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>  <Form> (3,385)
Free Base

>  <URL> (3,385)
http://www.selleckchem.com/products/sulfamethazine.html

>  <CAS Number> (3,385)
57-68-1

$$$$
TPCA-1.cdx
csChFnd80/10101813242D

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3386

>  <Formula> (3,386)
C12H10FN3O2S

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S2824

>  <Synonyms> (3,386)
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>  <Target> (3,386)
IKK

>  <Form> (3,386)
Free Base

>  <URL> (3,386)
http://www.selleckchem.com/products/tpca-1.html

>  <CAS Number> (3,386)
507475-17-4

$$$$
Trimethoprim.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,387)
3387

>  <Formula> (3,387)
C14H18N4O3

>  <MolWeight> (3,387)
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>  <Item Name> (3,387)
Trimethoprim

>  <Catalog Number> (3,387)
S3129

>  <Synonyms> (3,387)
N/A 

>  <Target> (3,387)
Antifection

>  <Form> (3,387)
Free Base

>  <URL> (3,387)
http://www.selleckchem.com/products/trimethoprim.html

>  <CAS Number> (3,387)
738-70-5

$$$$
Entacapone.cdx
csChFnd80/10101813242D

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 12 20  1  0  0  0  0
  3 10  1  0  0  0  0
 21 22  3  0  0  0  0
  2 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,388)
3388

>  <Formula> (3,388)
C14H15N3O5

>  <MolWeight> (3,388)
305.286

>  <Item Name> (3,388)
Entacapone

>  <Catalog Number> (3,388)
S3147 

>  <Synonyms> (3,388)
N/A 

>  <Target> (3,388)
Histone Methyltransferase

>  <Form> (3,388)
Free Base

>  <URL> (3,388)
http://www.selleckchem.com/products/entacapone.html

>  <CAS Number> (3,388)
130929-57-6

$$$$
Estradiol Valerate.cdx
csChFnd80/10101813242D

 29 32  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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   14.6430    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  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
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 12 20  1  1  0  0  0
 17 21  1  1  0  0  0
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 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
M  END
>  <Mol_ID> (3,389)
3389

>  <Formula> (3,389)
C23H32O3

>  <MolWeight> (3,389)
356.49838

>  <Item Name> (3,389)
Estradiol valerate

>  <Catalog Number> (3,389)
S3149

>  <Synonyms> (3,389)
N/A 

>  <Target> (3,389)
Estrogen/progestogen Receptor

>  <Form> (3,389)
Free Base

>  <URL> (3,389)
http://www.selleckchem.com/products/estradiol-valerate.html

>  <CAS Number> (3,389)
979-32-8

$$$$
Articaine hydrochloride.cdx
csChFnd80/10101813242D

 20 19  0  0  0  0  0  0  0  0999 V2000
    8.5536    3.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    5.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    6.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    5.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3806    6.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1869    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9538    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
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  1  6  1  0  0  0  0
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 13 14  1  0  0  0  0
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  2  9  1  0  0  0  0
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,390)
3390

>  <Formula> (3,390)
C13H21ClN2O3S

>  <MolWeight> (3,390)
320.83544

>  <Item Name> (3,390)
Articaine HCl

>  <Catalog Number> (3,390)
S3150

>  <Synonyms> (3,390)
N/A 

>  <Target> (3,390)
Others

>  <Form> (3,390)
Hydrochloride

>  <URL> (3,390)
http://www.selleckchem.com/products/articaine-hydrochloride.html

>  <CAS Number> (3,390)
23964-57-0

$$$$
Gliquidone.cdx
csChFnd80/10101813242D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    0.1876   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8249   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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 27 28  1  0  0  0  0
 20 27  1  0  0  0  0
 12 14  1  0  0  0  0
  4 11  1  0  0  0  0
 29 30  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
 31 32  1  0  0  0  0
 29 31  1  0  0  0  0
 10 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,391)
3391

>  <Formula> (3,391)
C27H33N3O6S

>  <MolWeight> (3,391)
527.63242

>  <Item Name> (3,391)
Gliquidone

>  <Catalog Number> (3,391)
S3151

>  <Synonyms> (3,391)
Glurenorm 

>  <Target> (3,391)
Potassium Channel

>  <Form> (3,391)
Free Base

>  <URL> (3,391)
http://www.selleckchem.com/products/gliquidone.html

>  <CAS Number> (3,391)
33342-05-1

$$$$
Butenafine Hydrochloride.cdx
csChFnd80/10101813242D

 25 26  0  0  0  0  0  0  0  0999 V2000
    9.8000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 21 22  1  0  0  0  0
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 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,392)
3392

>  <Formula> (3,392)
C23H28ClN

>  <MolWeight> (3,392)
353.92812

>  <Item Name> (3,392)
Butenafine HCl

>  <Catalog Number> (3,392)
S3154

>  <Synonyms> (3,392)
N/A 

>  <Target> (3,392)
Antifection

>  <Form> (3,392)
HCl

>  <URL> (3,392)
http://www.selleckchem.com/products/butenafine-hydrochloride.html

>  <CAS Number> (3,392)
101827-46-7

$$$$
Mepivacaine hydrochloride.cdx
csChFnd80/10101813242D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    6.0622    4.1510    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    5.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,393)
3393

>  <Formula> (3,393)
C15H23ClN2O

>  <MolWeight> (3,393)
282.80892

>  <Item Name> (3,393)
Mepivacaine HCl

>  <Catalog Number> (3,393)
S3155

>  <Synonyms> (3,393)
N/A 

>  <Target> (3,393)
Sodium Channel

>  <Form> (3,393)
HCl

>  <URL> (3,393)
http://www.selleckchem.com/products/mepivacaine-hydrochloride.html

>  <CAS Number> (3,393)
1722-62-9

$$$$
Tylosin tartrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,394)
3394

>  <Formula> (3,394)
C50H83NO23

>  <MolWeight> (3,394)
1066.18692

>  <Item Name> (3,394)
Tylosin tartrate

>  <Catalog Number> (3,394)
S3162

>  <Synonyms> (3,394)
N/A 

>  <Target> (3,394)
Antifection

>  <Form> (3,394)
Tartrate

>  <URL> (3,394)
http://www.selleckchem.com/products/tylosin-tartrate.html

>  <CAS Number> (3,394)
74610-55-2

$$$$
Benztropine mesylate.cdx
csChFnd80/10101813242D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,395)
3395

>  <Formula> (3,395)
C22H29NO4S

>  <MolWeight> (3,395)
403.53496

>  <Item Name> (3,395)
Benztropine mesylate

>  <Catalog Number> (3,395)
S3163

>  <Synonyms> (3,395)
N/A 

>  <Target> (3,395)
Histamine Receptor

>  <Form> (3,395)
Mesylate

>  <URL> (3,395)
http://www.selleckchem.com/products/benztropine-mesylate.html

>  <CAS Number> (3,395)
132-17-2

$$$$
Betahistine dihydrochloride.cdx
csChFnd80/10101813242D

 12 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,396)
3396

>  <Formula> (3,396)
C8H14Cl2N2

>  <MolWeight> (3,396)
209.11616

>  <Item Name> (3,396)
Betahistine 2HCl

>  <Catalog Number> (3,396)
S3176

>  <Synonyms> (3,396)
N/A 

>  <Target> (3,396)
Histamine Receptor

>  <Form> (3,396)
2HCl

>  <URL> (3,396)
http://www.selleckchem.com/products/betahistine-dihydrochloride.html

>  <CAS Number> (3,396)
5579-84-0

$$$$
Brinzolamide.cdx
csChFnd80/10101813242D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.3834    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5958    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048    6.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0047    3.0431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046    1.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    4.9000    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  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  8 10  1  0  0  0  0
  1 14  2  0  0  0  0
  1 15  2  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
 18 19  1  0  0  0  0
  2 16  1  0  0  0  0
 22 23  1  0  0  0  0
 21 22  1  0  0  0  0
  4 21  1  1  0  0  0
M  END
>  <Mol_ID> (3,397)
3397

>  <Formula> (3,397)
C12H21N3O5S3

>  <MolWeight> (3,397)
383.50724

>  <Item Name> (3,397)
Brinzolamide

>  <Catalog Number> (3,397)
S3178

>  <Synonyms> (3,397)
Azopt 

>  <Target> (3,397)
Carbonic Anhydrase

>  <Form> (3,397)
Free Base

>  <URL> (3,397)
http://www.selleckchem.com/products/brinzolamide.html

>  <CAS Number> (3,397)
138890-62-7

$$$$
Carbenicillin disodium.cdx
csChFnd80/10101813242D

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.7413    3.0850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.3761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2255    4.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    5.3379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    4.2975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6537    3.5975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9537    2.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6938    1.0870    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3161    1.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8561    4.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    6.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6336    1.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3483    3.3322    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7106    4.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7207    5.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4353    7.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4253    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0629    5.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3382    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6905    2.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4312    5.2874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5453    3.7576    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.1452    3.7576    0.0000 Na  0  3  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
  1  7  1  0  0  0  0
  1  5  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2  8  1  1  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  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  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 17 18  1  0  0  0  0
 24 25  2  0  0  0  0
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 17 24  1  0  0  0  0
 14 15  1  0  0  0  0
  6 14  1  6  0  0  0
  5 27  1  1  0  0  0
M  END
>  <Mol_ID> (3,398)
3398

>  <Formula> (3,398)
C17H16N2Na2O6S

>  <MolWeight> (3,398)
422.36328

>  <Item Name> (3,398)
Carbenicillin disodium

>  <Catalog Number> (3,398)
S3179

>  <Synonyms> (3,398)
N/A 

>  <Target> (3,398)
Antifection

>  <Form> (3,398)
Disodium

>  <URL> (3,398)
http://www.selleckchem.com/products/carbenicillin-disodium.html

>  <CAS Number> (3,398)
4800-94-6

$$$$
Eletriptan hydrobromide.cdx
csChFnd80/10101813242D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.0549    1.8803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0549    4.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3863    3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5988    4.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    2.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5988    1.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3863    2.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0237    4.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2361    3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    4.4129    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1485    3.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7485    5.6254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6610    5.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8734    4.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0858    5.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0858    6.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8734    7.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6610    6.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    5.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    7.0471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    5.7681    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    8.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0101    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  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 20  1  0  0  0  0
 15 20  2  0  0  0  0
 12 15  1  0  0  0  0
 11 12  1  0  0  0  0
  6 10  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
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 21  1  1  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,399)
3399

>  <Formula> (3,399)
C22H27BrN2O2S

>  <MolWeight> (3,399)
463.43098

>  <Item Name> (3,399)
Eletriptan HBr

>  <Catalog Number> (3,399)
S3180

>  <Synonyms> (3,399)
N/A 

>  <Target> (3,399)
5-HT Receptor

>  <Form> (3,399)
HBr

>  <URL> (3,399)
http://www.selleckchem.com/products/eletriptan-hydrobromide.html

>  <CAS Number> (3,399)
177834-92-3

$$$$
Flumequine.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8487    2.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    4.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    2.8017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    2.1017    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2114    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    6.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2735    0.0015    0.0000 F   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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  1 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  9 13  1  0  0  0  0
  1 11  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  3 14  1  0  0  0  0
  2 17  2  0  0  0  0
  6 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,400)
3400

>  <Formula> (3,400)
C14H12FNO3

>  <MolWeight> (3,400)
261.2483832

>  <Item Name> (3,400)
Flumequine

>  <Catalog Number> (3,400)
S3181

>  <Synonyms> (3,400)
N/A 

>  <Target> (3,400)
Topoisomerase

>  <Form> (3,400)
Free Base

>  <URL> (3,400)
http://www.selleckchem.com/products/flumequine.html

>  <CAS Number> (3,400)
42835-25-6

$$$$
Ticarcillin sodium.cdx
csChFnd80/10101813242D

 27 27  0  0  0  0  0  0  0  0999 V2000
   13.8741    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5047    2.3861    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3583    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6373    4.3479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5741    3.3075    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.7865    2.6075    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.0865    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4643    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8266    0.0971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1328    1.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4489    0.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9257    5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9889    3.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1388    2.9698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1288    1.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7664    0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4811    2.3422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.1504    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8434    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9624    4.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7248    5.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0771    5.5943    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.4710    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8233    1.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1087    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7376    2.9784    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   10.3377    2.9784    0.0000 Na  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
  1  7  1  0  0  0  0
  1  5  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2  8  1  0  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  1  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
 18 22  1  0  0  0  0
 17 19  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 17 23  1  0  0  0  0
 14 15  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,401)
3401

>  <Formula> (3,401)
C15H16N2Na2O6S2

>  <MolWeight> (3,401)
430.40688

>  <Item Name> (3,401)
Ticarcillin sodium

>  <Catalog Number> (3,401)
S3193

>  <Synonyms> (3,401)
N/A 

>  <Target> (3,401)
Others

>  <Form> (3,401)
Sodium

>  <URL> (3,401)
http://www.selleckchem.com/products/ticarcillin-sodium.html

>  <CAS Number> (3,401)
29457-07-6

$$$$
Azlocillin sodium salt.cdx
csChFnd80/10101813242D

 33 35  0  0  0  0  0  0  0  0999 V2000
    5.8899    6.2769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9632    4.8789    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6562    4.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752    5.4651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5377    6.6393    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9000    7.9916    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2523    7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1374    4.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0641    2.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000   12.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   11.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4710   16.2695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6834   15.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3923   14.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   14.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612   15.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4647    8.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2918    3.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4821    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6651    0.0000    0.0000 Na  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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 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
  7 30  2  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
M  END
>  <Mol_ID> (3,402)
3402

>  <Formula> (3,402)
C20H23N5NaO6S

>  <MolWeight> (3,402)
484.48129

>  <Item Name> (3,402)
Azlocillin sodium salt

>  <Catalog Number> (3,402)
S3195

>  <Synonyms> (3,402)
N/A 

>  <Target> (3,402)
Antifection

>  <Form> (3,402)
Sodium Salt

>  <URL> (3,402)
http://www.selleckchem.com/products/azlocillin-sodium-salt.html

>  <CAS Number> (3,402)
37091-65-9

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/10101813242D

 30 31  0  0  0  0  0  0  0  0999 V2000
   16.3629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2629    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0629    6.0622    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.4629    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1629    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5629    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2629    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4629    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0629    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0505    1.9124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.4753    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5629    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   19.1629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6629    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4629    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.7629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2574    3.6373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.8574    3.6373    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5 14  1  0  0  0  0
  1 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  2 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 25 28  1  0  0  0  0
 21 22  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,403)
3403

>  <Formula> (3,403)
C21H26Cl2F3N3S

>  <MolWeight> (3,403)
480.4174496

>  <Item Name> (3,403)
Trifluoperazine 2HCl

>  <Catalog Number> (3,403)
S3201

>  <Synonyms> (3,403)
 N/A 

>  <Target> (3,403)
Dopamine Receptor

>  <Form> (3,403)
Dihydrochlorid

>  <URL> (3,403)
http://www.selleckchem.com/products/trifluoperazine-dihydrochloride.html

>  <CAS Number> (3,403)
440-17-5

$$$$
Meptazinol hydrochloride.cdx
csChFnd80/10101813242D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9900    3.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3171    3.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3071    2.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8756    1.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5295    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5396    1.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1126    3.4858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    2.9245    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0457    4.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    5.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    5.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1126    4.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740    2.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8656    0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147    0.0000    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
  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
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 15 16  1  0  0  0  0
  9 15  1  0  0  0  0
  3  9  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,404)
3404

>  <Formula> (3,404)
C15H24ClNO

>  <MolWeight> (3,404)
269.81016

>  <Item Name> (3,404)
Meptazinol HCl

>  <Catalog Number> (3,404)
S3204

>  <Synonyms> (3,404)
N/A 

>  <Target> (3,404)
Opioid Receptor

>  <Form> (3,404)
HCl

>  <URL> (3,404)
http://www.selleckchem.com/products/meptazinol-hydrochloride.html

>  <CAS Number> (3,404)
59263-76-2

$$$$
Adrenalone hydrochloride.cdx
csChFnd80/10101813242D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.3000    1.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.7302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  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  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,405)
3405

>  <Formula> (3,405)
C9H12ClNO3

>  <MolWeight> (3,405)
217.64948

>  <Item Name> (3,405)
Adrenalone HCl

>  <Catalog Number> (3,405)
S3185

>  <Synonyms> (3,405)
N/A 

>  <Target> (3,405)
Adrenergic Receptor

>  <Form> (3,405)
hydrochloride

>  <URL> (3,405)
http://www.selleckchem.com/products/adrenalone-hcl.html

>  <CAS Number> (3,405)
62-13-5

$$$$
Azacyclonol.cdx
csChFnd80/10101813242D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9876    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    6.3000    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  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  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
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 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
  7  9  1  0  0  0  0
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 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
  7 15  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,406)
3406

>  <Formula> (3,406)
C18H21NO

>  <MolWeight> (3,406)
267.36544

>  <Item Name> (3,406)
Azacyclonol

>  <Catalog Number> (3,406)
S3196

>  <Synonyms> (3,406)
N/A 

>  <Target> (3,406)
5-HT Receptor

>  <Form> (3,406)
Free Base

>  <URL> (3,406)
http://www.selleckchem.com/products/azacyclonol.html

>  <CAS Number> (3,406)
115-46-8

$$$$
Reboxetine mesylate.cdx
csChFnd80/10101813242D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2040    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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http://www.selleckchem.com/products/reboxetine-mesylate.html

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98769-84-7

$$$$
Triflusal.cdx
csChFnd80/10101813242D

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COX

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

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322-79-2

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AZD 6482.cdx
csChFnd80/10101813242D

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AZD6482

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N/A 

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PI3K

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Free Base

>  <URL> (3,409)
http://www.selleckchem.com/products/azd6482.html

>  <CAS Number> (3,409)
1173900-33-8

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/10101813242D

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Varlitinib

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ARRY334543

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EGFR

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Free Base

>  <URL> (3,410)
http://www.selleckchem.com/products/arry334543.html

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845272-21-1

$$$$
Xylazine HCl.cdx
csChFnd80/10101813242D

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Xylazine HCl

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Hydrochloride

>  <URL> (3,411)
http://www.selleckchem.com/products/Xylazine(Rompun).html

>  <CAS Number> (3,411)
23076-35-9

$$$$
Catharanthine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,412)
3412

>  <Formula> (3,412)
C21H24N2O2

>  <MolWeight> (3,412)
336.42746

>  <Item Name> (3,412)
Catharanthine

>  <Catalog Number> (3,412)
S3202

>  <Synonyms> (3,412)
N/A 

>  <Target> (3,412)
AChR

>  <Form> (3,412)
Free Base

>  <URL> (3,412)
http://www.selleckchem.com/products/catharanthine.html

>  <CAS Number> (3,412)
2468-21-5

$$$$
Fexofenadine HCl.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,413)
3413

>  <Formula> (3,413)
C32H40ClNO4

>  <MolWeight> (3,413)
538.1173

>  <Item Name> (3,413)
Fexofenadine HCl

>  <Catalog Number> (3,413)
S3208

>  <Synonyms> (3,413)
N/A 

>  <Target> (3,413)
Histamine Receptor

>  <Form> (3,413)
hydrochloride

>  <URL> (3,413)
http://www.selleckchem.com/products/fexofenadine-hcl.html

>  <CAS Number> (3,413)
153439-40-8

$$$$
Moclobemide.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,414)
3414

>  <Formula> (3,414)
C13H17ClN2O2

>  <MolWeight> (3,414)
268.73928

>  <Item Name> (3,414)
Moclobemide (Ro 111163)

>  <Catalog Number> (3,414)
S3212

>  <Synonyms> (3,414)
N/A 

>  <Target> (3,414)
MAO

>  <Form> (3,414)
Free Base

>  <URL> (3,414)
http://www.selleckchem.com/products/moclobemide.html

>  <CAS Number> (3,414)
71320-77-9

$$$$
Tideglusib.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,415)
3415

>  <Formula> (3,415)
C19H14N2O2S

>  <MolWeight> (3,415)
334.39166

>  <Item Name> (3,415)
Tideglusib

>  <Catalog Number> (3,415)
S2823

>  <Synonyms> (3,415)
N/A 

>  <Target> (3,415)
GSK-3

>  <Form> (3,415)
Free Base

>  <URL> (3,415)
http://www.selleckchem.com/products/tideglusib.html

>  <CAS Number> (3,415)
865854-05-3 

$$$$
ARN-509.cdx
csChFnd80/10101813242D

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Sulfathiazole.cdx
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72-14-0

$$$$
carfilzomib(PR-171).cdx
csChFnd80/10101813242D

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868540-17-4

$$$$
VIOXX (rofecoxib).cdx
csChFnd80/10101813242D

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COX

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N/A 

$$$$
Azilsartan.cdx
csChFnd80/10101813242D

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Azilsartan (TAK-536)

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RAAS

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Free Base

>  <URL> (3,421)
http://www.selleckchem.com/products/azilsartan-tak-536.html

>  <CAS Number> (3,421)
147403-03-0

$$$$
Cinepazide maleate.cdx
csChFnd80/10101813242D

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>  <Formula> (3,422)
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>  <Item Name> (3,422)
Cinepazide maleate

>  <Catalog Number> (3,422)
S3045

>  <Synonyms> (3,422)
N/A 

>  <Target> (3,422)
Calcium Channel

>  <Form> (3,422)
Maleate

>  <URL> (3,422)
http://www.selleckchem.com/products/cinepazide-maleate.html

>  <CAS Number> (3,422)
26328-04-1

$$$$
BML-190.cdx
csChFnd80/10101813242D

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3423

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C23H23ClN2O4

>  <MolWeight> (3,423)
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BML-190

>  <Catalog Number> (3,423)
S2854

>  <Synonyms> (3,423)
Indomethacin Morpholinylamide 

>  <Target> (3,423)
Cannabinoid Receptor

>  <Form> (3,423)
Free Base

>  <URL> (3,423)
http://www.selleckchem.com/products/bml-190.html

>  <CAS Number> (3,423)
2854-32-2

$$$$
Semaxanib.cdx
csChFnd80/10101813242D

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N/A 

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VEGFR

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Free Base

>  <URL> (3,424)
http://www.selleckchem.com/products/semaxanib-su5416.html

>  <CAS Number> (3,424)
194413-58-6

$$$$
SAR131675.cdx
csChFnd80/10101813242D

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VEGFR

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http://www.selleckchem.com/products/sar131675.html

>  <CAS Number> (3,425)
N/A

$$$$
Equol.cdx
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Equol

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Estrogen/progestogen Receptor

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Free Base

>  <URL> (3,426)
http://www.selleckchem.com/products/equol.html

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531-95-3

$$$$
SB-269970 HCl.cdx
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>  <Mol_ID> (3,427)
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>  <Formula> (3,427)
C18H29ClN2O3S

>  <MolWeight> (3,427)
388.95246

>  <Item Name> (3,427)
SB-269970 HCl

>  <Catalog Number> (3,427)
S2849

>  <Synonyms> (3,427)
N/A 

>  <Target> (3,427)
5-HT Receptor

>  <Form> (3,427)
Hydrochloride

>  <URL> (3,427)
http://www.selleckchem.com/products/sb-269970-hcl.html

>  <CAS Number> (3,427)
261901-57-9

$$$$
AM251.cdx
csChFnd80/10101813242D

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>  <Formula> (3,428)
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>  <MolWeight> (3,428)
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>  <Item Name> (3,428)
AM251

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>  <Synonyms> (3,428)
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>  <Target> (3,428)
Cannabinoid Receptor

>  <Form> (3,428)
Free Base

>  <URL> (3,428)
http://www.selleckchem.com/products/am251.html

>  <CAS Number> (3,428)
183232-66-8

$$$$
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M  END
>  <Mol_ID> (3,429)
3429

>  <Formula> (3,429)
C24H23N5OS

>  <MolWeight> (3,429)
429.53732

>  <Item Name> (3,429)
StemRegenin 1

>  <Catalog Number> (3,429)
S2858

>  <Synonyms> (3,429)
N/A 

>  <Target> (3,429)
AhR

>  <Form> (3,429)
Free Base

>  <URL> (3,429)
http://www.selleckchem.com/products/stemRegenin-1.html

>  <CAS Number> (3,429)
1227633-49-9

$$$$
Otilonium Bromide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,430)
3430

>  <Formula> (3,430)
C29H43BrN2O4

>  <MolWeight> (3,430)
563.56672

>  <Item Name> (3,430)
Otilonium Bromide

>  <Catalog Number> (3,430)
S3047

>  <Synonyms> (3,430)
N/A

>  <Target> (3,430)
AChR

>  <Form> (3,430)
quaternary-N bromide salt

>  <URL> (3,430)
http://www.selleckchem.com/products/otilonium-bromide.html

>  <CAS Number> (3,430)
26095-59-0

$$$$
Cyclocytidine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,431)
3431

>  <Formula> (3,431)
C9H12ClN3O4

>  <MolWeight> (3,431)
261.66228

>  <Item Name> (3,431)
Cyclocytidine HCl

>  <Catalog Number> (3,431)
S1973

>  <Synonyms> (3,431)
N/A 

>  <Target> (3,431)
DNA/RNA Synthesis

>  <Form> (3,431)
Hydrochloride

>  <URL> (3,431)
http://www.selleckchem.com/products/cyclocytidine-hcl.html

>  <CAS Number> (3,431)
10212-25-6

$$$$
IMD0354.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,432)
3432

>  <Formula> (3,432)
C15H8ClF6NO2

>  <MolWeight> (3,432)
383.6729392

>  <Item Name> (3,432)
IMD0354

>  <Catalog Number> (3,432)
S2864

>  <Synonyms> (3,432)
N/A

>  <Target> (3,432)
IKK

>  <Form> (3,432)
Free Base

>  <URL> (3,432)
http://www.selleckchem.com/products/imd-0354.html

>  <CAS Number> (3,432)
978-62-1

$$$$
ML130.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,433)
3433

>  <Formula> (3,433)
C14H13N3O2S

>  <MolWeight> (3,433)
287.33692

>  <Item Name> (3,433)
ML130

>  <Catalog Number> (3,433)
S2863

>  <Synonyms> (3,433)
N/A

>  <Target> (3,433)
NOD1

>  <Form> (3,433)
Free Base

>  <URL> (3,433)
http://www.selleckchem.com/products/ml130.html

>  <CAS Number> (3,433)
799264-47-4

$$$$
T0070907.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,434)
3434

>  <Formula> (3,434)
C12H8ClN3O3

>  <MolWeight> (3,434)
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>  <Item Name> (3,434)
T0070907

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S2871

>  <Synonyms> (3,434)
N/A

>  <Target> (3,434)
PPAR

>  <Form> (3,434)
Free Base

>  <URL> (3,434)
http://www.selleckchem.com/products/t0070907.html

>  <CAS Number> (3,434)
313516-66-4

$$$$
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E7050

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c-Met, VEGFR

>  <Form> (3,435)
Free Base

>  <URL> (3,435)
http://www.selleckchem.com/products/golvatinib-e7050.html

>  <CAS Number> (3,435)
928037-13-2

$$$$
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Bosentan Hydrate

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ETA Receptor

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Hydrate

>  <URL> (3,436)
http://www.selleckchem.com/products/bosentan-hydrate.html

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157212-55-0

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WHI-P154.cdx
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http://www.selleckchem.com/products/whi-p154.html

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211555-04-3

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VUF 10166

>  <Catalog Number> (3,438)
S2865

>  <Synonyms> (3,438)
N/A

>  <Target> (3,438)
5-HT Receptor

>  <Form> (3,438)
Free Base

>  <URL> (3,438)
http://www.selleckchem.com/products/vuf-10166.html

>  <CAS Number> (3,438)
155584-74-0

$$$$
Alverine citrate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,439)
3439

>  <Formula> (3,439)
C26H35NO7

>  <MolWeight> (3,439)
473.5586

>  <Item Name> (3,439)
Alverine Citrate

>  <Catalog Number> (3,439)
S3054

>  <Synonyms> (3,439)
N/A

>  <Target> (3,439)
OX Receptor

>  <Form> (3,439)
Citrate

>  <URL> (3,439)
http://www.selleckchem.com/products/alverine-citrate.html

>  <CAS Number> (3,439)
5560-59-8

$$$$
Azelnidipine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,440)
3440

>  <Formula> (3,440)
C33H34N4O6

>  <MolWeight> (3,440)
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>  <Item Name> (3,440)
Azelnidipine

>  <Catalog Number> (3,440)
S3053

>  <Synonyms> (3,440)
N/A

>  <Target> (3,440)
Calcium Channel

>  <Form> (3,440)
Free Base

>  <URL> (3,440)
http://www.selleckchem.com/products/azelnidipine.html

>  <CAS Number> (3,440)
123524-52-7

$$$$
Forskolin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,441)
3441

>  <Formula> (3,441)
C22H34O7

>  <MolWeight> (3,441)
410.50116

>  <Item Name> (3,441)
Forskolin

>  <Catalog Number> (3,441)
S2449

>  <Synonyms> (3,441)
Coleonol

>  <Target> (3,441)
cAMP

>  <Form> (3,441)
Free Base

>  <URL> (3,441)
http://www.selleckchem.com/products/forskolin.html

>  <CAS Number> (3,441)
66575-29-9

$$$$
Chlorhexidine Hydrochloride.cdx
csChFnd80/10101813242D

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 16 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,442)
3442

>  <Formula> (3,442)
C22H32Cl4N10

>  <MolWeight> (3,442)
578.36848

>  <Item Name> (3,442)
Chlorhexidine HCl

>  <Catalog Number> (3,442)
S3067

>  <Synonyms> (3,442)
N/A

>  <Target> (3,442)
Antifection

>  <Form> (3,442)
Dihydrochlorid

>  <URL> (3,442)
http://www.selleckchem.com/products/chlorhexidine-hcl.html

>  <CAS Number> (3,442)
3697-42-5

$$$$
Diclofenac Diethylamine.cdx
csChFnd80/10101813242D

 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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M  END
>  <Mol_ID> (3,443)
3443

>  <Formula> (3,443)
C18H22Cl2N2O2

>  <MolWeight> (3,443)
369.28548

>  <Item Name> (3,443)
Diclofenac Diethylamine

>  <Catalog Number> (3,443)
S3063

>  <Synonyms> (3,443)
N/A

>  <Target> (3,443)
COX

>  <Form> (3,443)
Diethylamine

>  <URL> (3,443)
http://www.selleckchem.com/products/diclofenac-diethylamine.html

>  <CAS Number> (3,443)
78213-16-8

$$$$
CATAFLAM (diclofenac potassium).cdx
csChFnd80/10101813242D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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 10  5  1  0  0  0  0
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 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,444)
3444

>  <Formula> (3,444)
C14H10Cl2KNO2

>  <MolWeight> (3,444)
334.239

>  <Item Name> (3,444)
Diclofenac Potassium

>  <Catalog Number> (3,444)
S3062

>  <Synonyms> (3,444)
N/A

>  <Target> (3,444)
Immunology & Inflammation related

>  <Form> (3,444)
Potassium

>  <URL> (3,444)
http://www.selleckchem.com/products/diclofenac-potassium.html

>  <CAS Number> (3,444)
15307-81-0

$$$$
Inosine.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,445)
3445

>  <Formula> (3,445)
C10H12N4O5

>  <MolWeight> (3,445)
268.22608

>  <Item Name> (3,445)
Inosine

>  <Catalog Number> (3,445)
S2442

>  <Synonyms> (3,445)
N/A

>  <Target> (3,445)
Others

>  <Form> (3,445)
Free Base

>  <URL> (3,445)
http://www.selleckchem.com/products/inosine.html

>  <CAS Number> (3,445)
58-63-9

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/10101813242D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,446)
3446

>  <Formula> (3,446)
C28H37ClO7

>  <MolWeight> (3,446)
521.04218

>  <Item Name> (3,446)
Beclomethasone dipropionate 

>  <Catalog Number> (3,446)
S3078

>  <Synonyms> (3,446)
Beclometasone dipropionate

>  <Target> (3,446)
Glucocorticoid Receptor

>  <Form> (3,446)
Free Base

>  <URL> (3,446)
http://www.selleckchem.com/products/beclomethasone-dipropionate.html

>  <CAS Number> (3,446)
5534-09-8

$$$$
Pircetam.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8531    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2073    3.6222    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
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,447)
3447

>  <Formula> (3,447)
C6H10N2O2

>  <MolWeight> (3,447)
142.1558

>  <Item Name> (3,447)
Piracetam

>  <Catalog Number> (3,447)
S3070

>  <Synonyms> (3,447)
N/A

>  <Target> (3,447)
GluR

>  <Form> (3,447)
Free Base

>  <URL> (3,447)
http://www.selleckchem.com/products/piracetam.html

>  <CAS Number> (3,447)
7491-74-9

$$$$
Vanillin.cdx
csChFnd80/10101813242D

 11 11  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
    4.8497    0.7000    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
    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
    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
    7.2746    0.7000    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
    1.2124    2.8000    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  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
  9 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,448)
3448

>  <Formula> (3,448)
C8H8O3

>  <MolWeight> (3,448)
152.14732

>  <Item Name> (3,448)
Vanillin 

>  <Catalog Number> (3,448)
S3071

>  <Synonyms> (3,448)
N/A

>  <Target> (3,448)
Others

>  <Form> (3,448)
Free Base

>  <URL> (3,448)
http://www.selleckchem.com/products/vanillin.html

>  <CAS Number> (3,448)
121-33-5

$$$$
Dexmedetomidine.cdx
csChFnd80/10101813242D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.6364    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.3976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2157    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    3.4899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    1.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    0.0024    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
  3  8  1  0  0  0  0
  2  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
  9 15  1  6  0  0  0
M  END
>  <Mol_ID> (3,449)
3449

>  <Formula> (3,449)
C13H16N2

>  <MolWeight> (3,449)
200.27954

>  <Item Name> (3,449)
Dexmedetomidine

>  <Catalog Number> (3,449)
S3075

>  <Synonyms> (3,449)
N/A

>  <Target> (3,449)
Adrenergic Receptor

>  <Form> (3,449)
Free Base

>  <URL> (3,449)
http://www.selleckchem.com/products/dexmedetomidine.html

>  <CAS Number> (3,449)
113775-47-6

$$$$
Foscarnet Sodium.cdx
csChFnd80/10101813242D

 10  6  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    4.2000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8000    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4000    0.7000    0.0000 O   0  5  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
    2.2400    1.4140    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.8400    1.4140    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.5400    0.0140    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
M  END
>  <Mol_ID> (3,450)
3450

>  <Formula> (3,450)
CNa3O5P

>  <MolWeight> (3,450)
191.950771

>  <Item Name> (3,450)
Foscarnet Sodium

>  <Catalog Number> (3,450)
S3076

>  <Synonyms> (3,450)
N/A

>  <Target> (3,450)
Reverse Transcriptase

>  <Form> (3,450)
Sodium

>  <URL> (3,450)
http://www.selleckchem.com/products/foscarnet-sodium.html

>  <CAS Number> (3,450)
63585-09-1
63585-09-1

$$$$
Acesulfame potassium.cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.5912    2.3562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    3.0562    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    4.4562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    5.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036    4.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036    3.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    6.5562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0160    2.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999    1.7406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5183    0.0000    0.0000 K   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
  1  6  1  0  0  0  0
  4  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,451)
3451

>  <Formula> (3,451)
C4H5KNO4S

>  <MolWeight> (3,451)
202.2501

>  <Item Name> (3,451)
Acesulfame Potassium 

>  <Catalog Number> (3,451)
S2884

>  <Synonyms> (3,451)
N/A

>  <Target> (3,451)
Others

>  <Form> (3,451)
Potassium Salt

>  <URL> (3,451)
http://www.selleckchem.com/products/acesulfame-potassium.html

>  <CAS Number> (3,451)
55589-62-3

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/10101813242D

 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
    4.9000    1.2124    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
    4.2000    4.8497    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
    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
  3  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  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,452)
3452

>  <Formula> (3,452)
C9H10O3

>  <MolWeight> (3,452)
166.1739

>  <Item Name> (3,452)
Apocynin (Acetovanillone)

>  <Catalog Number> (3,452)
S2425

>  <Synonyms> (3,452)
N/A

>  <Target> (3,452)
NADPH oxidase

>  <Form> (3,452)
Free Base

>  <URL> (3,452)
http://www.selleckchem.com/products/apocynin-acetovanillone.html

>  <CAS Number> (3,452)
498-02-2

$$$$
Schisandrin B.cdx
csChFnd80/10101813242D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.6194    3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5559    4.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    4.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6194    2.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9451    4.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8366    5.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762    3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    5.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6148    1.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6643    5.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9268    3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424    7.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7235    5.8772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762    2.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8052    4.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3074    5.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0445    1.1989    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9585    7.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9268    2.2395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8637    8.2752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0902    6.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8777    1.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6780    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6371    8.2752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1936    1.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5288    9.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9810    8.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 15  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 19  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 18 25  1  6  0  0  0
 18 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  6  0  0  0
 21 28  1  0  0  0  0
 23 24  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,453)
3453

>  <Formula> (3,453)
C23H28O6

>  <MolWeight> (3,453)
400.46482

>  <Item Name> (3,453)
Schisandrin B

>  <Catalog Number> (3,453)
S3600

>  <Synonyms> (3,453)
N/A

>  <Target> (3,453)
Others

>  <Form> (3,453)
Free Base

>  <URL> (3,453)
http://www.selleckchem.com/products/schisandrin-b.html

>  <CAS Number> (3,453)
61281-37-6

$$$$
Gambogic acid.cdx
csChFnd80/10101813242D

 46 51  0  0  0  0  0  0  0  0999 V2000
    4.5346    3.5731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5362    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612    4.2489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7110    4.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5209    5.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7110    1.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3553    1.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1736    3.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    3.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1562    2.1731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0705    6.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7013    0.0184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1032    4.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2302    7.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1032    1.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2781    3.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1048    5.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8403    7.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7798    9.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2781    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1049    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4771    4.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2475    6.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2907    6.3206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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C38H44O8

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Gambogic Acid

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N/A

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Bcl-2,Caspase

>  <Form> (3,454)
Free Base

>  <URL> (3,454)
http://www.selleckchem.com/products/gambogic-acid.html

>  <CAS Number> (3,454)
2752-65-0

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/10101813242D

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3455

>  <Formula> (3,455)
C22H19ClO3

>  <MolWeight> (3,455)
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>  <Item Name> (3,455)
Atovaquone (Atavaquone)

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S3079

>  <Synonyms> (3,455)
N/A

>  <Target> (3,455)
Antifection

>  <Form> (3,455)
Free Base

>  <URL> (3,455)
http://www.selleckchem.com/products/atovaquone-atavaquone.html

>  <CAS Number> (3,455)
95233-18-4

$$$$
etravirine (TMC125).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,456)
3456

>  <Formula> (3,456)
C20H15BrN6O

>  <MolWeight> (3,456)
435.2767

>  <Item Name> (3,456)
Etravirine (TMC125)

>  <Catalog Number> (3,456)
S3080

>  <Synonyms> (3,456)
N/A

>  <Target> (3,456)
Reverse Transcriptase

>  <Form> (3,456)
Free Base

>  <URL> (3,456)
http://www.selleckchem.com/products/etravirine-tmc125.html

>  <CAS Number> (3,456)
269055-15-4

$$$$
U-104.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,457)
3457

>  <Formula> (3,457)
C13H12FN3O3S

>  <MolWeight> (3,457)
309.3160832

>  <Item Name> (3,457)
U-104

>  <Catalog Number> (3,457)
S2866

>  <Synonyms> (3,457)
N/A

>  <Target> (3,457)
Carbonic Anhydrase

>  <Form> (3,457)
Free Base

>  <URL> (3,457)
http://www.selleckchem.com/products/u-104.html

>  <CAS Number> (3,457)
178606-66-1

$$$$
MRS 2578.cdx
csChFnd80/10101813242D

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$$$$
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182349-12-8

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$$$$
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M  END
>  <Mol_ID> (3,467)
3467

>  <Formula> (3,467)
C28H32N2O7

>  <MolWeight> (3,467)
508.56288

>  <Item Name> (3,467)
Indacaterol Maleate

>  <Catalog Number> (3,467)
S3083

>  <Synonyms> (3,467)
N/A

>  <Target> (3,467)
Adrenergic Receptor

>  <Form> (3,467)
Maleate

>  <URL> (3,467)
http://www.selleckchem.com/products/indacaterol-maleate.html

>  <CAS Number> (3,467)
753498-25-8

$$$$
Betulinic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,468)
3468

>  <Formula> (3,468)
C30H48O3

>  <MolWeight> (3,468)
456.70032

>  <Item Name> (3,468)
Betulinic acid

>  <Catalog Number> (3,468)
S3603

>  <Target> (3,468)
N/A

>  <Form> (3,468)
Free Base

>  <URL> (3,468)
http://www.selleckchem.com/products/betulinic-acid.html

>  <CAS Number> (3,468)
472-15-1

$$$$
Triptolide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,469)
3469

>  <Formula> (3,469)
C20H24O6

>  <MolWeight> (3,469)
360.40096

>  <Item Name> (3,469)
Triptolide

>  <Catalog Number> (3,469)
S3604

>  <Synonyms> (3,469)
N/A

>  <Target> (3,469)
NF-¦ÊB

>  <Form> (3,469)
Free Base

>  <URL> (3,469)
http://www.selleckchem.com/products/triptolide.html

>  <CAS Number> (3,469)
38748-32-2

$$$$
PF-562271.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,470)
3470

>  <Formula> (3,470)
C21H20F3N7O3S

>  <MolWeight> (3,470)
507.4888096

>  <Item Name> (3,470)
PF-562271

>  <Catalog Number> (3,470)
S2890

>  <Synonyms> (3,470)
N/A

>  <Form> (3,470)
Free Base

>  <URL> (3,470)
http://www.selleckchem.com/products/pf-562271.html

>  <CAS Number> (3,470)
717907-75-0

$$$$
Pirfenidone.cdx
csChFnd80/10101813242D

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>  <CAS Number> (3,481)
883050-24-6

$$$$
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csChFnd80/10101813242D

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>  <Formula> (3,482)
C17H18N6

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>  <Item Name> (3,482)
S-Ruxolitinib

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S2902

>  <Synonyms> (3,482)
N/A

>  <Target> (3,482)
JAK

>  <Form> (3,482)
Free Base

>  <URL> (3,482)
http://www.selleckchem.com/products/s-ruxolitinib.html

>  <CAS Number> (3,482)
941685-37-6

$$$$
Lumiracoxib.cdx
csChFnd80/10101813242D

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3483

>  <Formula> (3,483)
C15H13ClFNO2

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Lumiracoxib (COX-189)

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S2903

>  <Synonyms> (3,483)
N/A

>  <Target> (3,483)
COX

>  <Form> (3,483)
Free Base

>  <URL> (3,483)
http://www.selleckchem.com/products/lumiracoxib-cox-189.html

>  <CAS Number> (3,483)
220991-20-8

$$$$
JNJ7777120.cdx
csChFnd80/10101813242D

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3484

>  <Formula> (3,484)
C14H16ClN3O

>  <MolWeight> (3,484)
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JNJ-7777120

>  <Catalog Number> (3,484)
S2905

>  <Synonyms> (3,484)
JNJ 7777120

>  <Target> (3,484)
Histamine Receptor

>  <Form> (3,484)
Free Base

>  <URL> (3,484)
http://www.selleckchem.com/products/jnj-7777120.html

>  <CAS Number> (3,484)
459168-41-3

$$$$
4-AMINOHIPPURIC ACID.cdx
csChFnd80/10101813242D

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3485

>  <Formula> (3,485)
C9H10N2O3

>  <MolWeight> (3,485)
194.1873

>  <Item Name> (3,485)
4-Aminohippuric Acid

>  <Catalog Number> (3,485)
S2883

>  <Synonyms> (3,485)
N/A

>  <Target> (3,485)
Others

>  <Form> (3,485)
Free Base

>  <URL> (3,485)
http://www.selleckchem.com/products/4-aminohippuric-acid.html

>  <CAS Number> (3,485)
61-78-9

$$$$
ABILIFY (aripiprazole).cdx
csChFnd80/10101813242D

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3486

>  <Formula> (3,486)
C23H27Cl2N3O2

>  <MolWeight> (3,486)
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>  <Item Name> (3,486)
Aripiprazole (Abilify)

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S1975

>  <Synonyms> (3,486)
N/A

>  <Target> (3,486)
5-HT Receptor

>  <Form> (3,486)
Free Base

>  <URL> (3,486)
http://www.selleckchem.com/products/aripiprazole-abilify.html

>  <CAS Number> (3,486)
129722-12-9

$$$$
Duloxetine hydrochloride.cdx
csChFnd80/10101813242D

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 21 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,487)
3487

>  <Formula> (3,487)
C18H20ClNOS

>  <MolWeight> (3,487)
333.8755

>  <Item Name> (3,487)
Duloxetine HCl (Cymbalta)

>  <Catalog Number> (3,487)
S2084

>  <Synonyms> (3,487)
N/A

>  <Target> (3,487)
5-HT Receptor

>  <Form> (3,487)
HCl

>  <URL> (3,487)
http://www.selleckchem.com/products/duloxetine-hcl-cymbalta.html

>  <CAS Number> (3,487)
136434-34-9

$$$$
Almotriptan malate.cdx
csChFnd80/10101813242D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.8404    4.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    3.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    2.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  9  1  0  0  0  0
  4 16  1  0  0  0  0
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 17 18  2  0  0  0  0
 18  5  1  0  0  0  0
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 24 26  2  0  0  0  0
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 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (3,488)
3488

>  <Formula> (3,488)
C21H31N3O7S

>  <MolWeight> (3,488)
469.55174

>  <Item Name> (3,488)
Almotriptan malate (Axert)

>  <Catalog Number> (3,488)
S2096

>  <Synonyms> (3,488)
N/A

>  <Target> (3,488)
5-HT Receptor

>  <Form> (3,488)
Malate

>  <URL> (3,488)
http://www.selleckchem.com/products/almotriptan-malate-axert.html

>  <CAS Number> (3,488)
181183-52-8

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/10101813242D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.2123    4.9146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2123    3.5146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4248    2.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6372    3.5146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6372    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0  0  0  0
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 14  8  1  0  0  0  0
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 23 18  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,489)
3489

>  <Formula> (3,489)
C19H21ClFNO3

>  <MolWeight> (3,489)
365.8263432

>  <Item Name> (3,489)
Paroxetine HCl

>  <Catalog Number> (3,489)
S3005

>  <Synonyms> (3,489)
N/A

>  <Target> (3,489)
5-HT Receptor

>  <Form> (3,489)
Hydrochloride

>  <URL> (3,489)
http://www.selleckchem.com/products/paroxetine-hcl.html

>  <CAS Number> (3,489)
78246-49-8

$$$$
Ivabradine hydrocloride.cdx
csChFnd80/10101813242D

 35 37  0  0  0  0  0  0  0  0999 V2000
    8.0762   17.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0762   15.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2886   14.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5011   15.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  3  1  0  0  0  0
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 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 25 34  2  0  0  0  0
M  END
>  <Mol_ID> (3,490)
3490

>  <Formula> (3,490)
C27H37ClN2O5

>  <MolWeight> (3,490)
505.04608

>  <Item Name> (3,490)
Ivabradine HCl (Procoralan)

>  <Catalog Number> (3,490)
S2086

>  <Synonyms> (3,490)
N/A

>  <Target> (3,490)
Adrenergic Receptor

>  <Form> (3,490)
HCl

>  <URL> (3,490)
http://www.selleckchem.com/products/ivabradine-hcl-procoralan.html

>  <CAS Number> (3,490)
148849-67-6

$$$$
Betaxolol.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.5076    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,491)
3491

>  <Formula> (3,491)
C18H29NO3

>  <MolWeight> (3,491)
307.42776

>  <Item Name> (3,491)
Betaxolol (Betoptic)

>  <Catalog Number> (3,491)
S2091

>  <Synonyms> (3,491)
N/A

>  <Target> (3,491)
Adrenergic Receptor

>  <Form> (3,491)
Free Base

>  <URL> (3,491)
http://www.selleckchem.com/products/betaxolol-betoptic.html

>  <CAS Number> (3,491)
659-18-7

$$$$
Detomidine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,492)
3492

>  <Formula> (3,492)
C12H15ClN2

>  <MolWeight> (3,492)
222.7139

>  <Item Name> (3,492)
Detomidine HCl

>  <Catalog Number> (3,492)
S2092

>  <Synonyms> (3,492)
N/A

>  <Target> (3,492)
Adrenergic Receptor

>  <Form> (3,492)
HCl

>  <URL> (3,492)
http://www.selleckchem.com/products/detomidine-hcl.html

>  <CAS Number> (3,492)
90038-01-0

$$$$
Cisatracurium besylate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,493)
3493

>  <Formula> (3,493)
C65H82N2O18S2

>  <MolWeight> (3,493)
1243.47918

>  <Item Name> (3,493)
Cisatracurium besylate (Nimbex)

>  <Catalog Number> (3,493)
S2113

>  <Synonyms> (3,493)
N/A

>  <Target> (3,493)
Adrenergic Receptor

>  <Form> (3,493)
Besylate

>  <URL> (3,493)
http://www.selleckchem.com/products/cisatracurium-besylate-nimbex.html

>  <CAS Number> (3,493)
96946-42-8

$$$$
Levosulpiride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,494)
3494

>  <Formula> (3,494)
C15H23N3O4S

>  <MolWeight> (3,494)
341.42582

>  <Item Name> (3,494)
Levosulpiride (Levogastrol)

>  <Catalog Number> (3,494)
S2104

>  <Synonyms> (3,494)
N/A

>  <Target> (3,494)
Dopamine Receptor   

>  <Form> (3,494)
Free Base

>  <URL> (3,494)
http://www.selleckchem.com/products/levosulpiride-levogastrol.html

>  <CAS Number> (3,494)
23672-07-3

$$$$
Trimebutine.cdx
csChFnd80/10101813242D

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Opioid Receptor

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

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39133-31-8

$$$$
Naltrexone hydrochloride.cdx
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Naltrexone HCl

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S2103

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N/A

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Opioid Receptor

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HCl

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http://www.selleckchem.com/products/naltrexone-hcl.html

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16676-29-2

$$$$
PF477736.cdx
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952021-60-2

$$$$
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PPAR

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22978-25-2

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M  END
>  <Mol_ID> (3,513)
3513

>  <Formula> (3,513)
C11H14N2O4

>  <MolWeight> (3,513)
238.23986

>  <Item Name> (3,513)
Felbamate

>  <Catalog Number> (3,513)
S1330

>  <Synonyms> (3,513)
Felbatol

>  <Target> (3,513)
NMDAR

>  <Form> (3,513)
Free Base

>  <URL> (3,513)
http://www.selleckchem.com/products/Felbamate.html

>  <CAS Number> (3,513)
25451-15-4

$$$$
Fluvoxamine maleate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,514)
3514

>  <Formula> (3,514)
C19H25F3N2O6

>  <MolWeight> (3,514)
434.4068096

>  <Item Name> (3,514)
Fluvoxamine maleate

>  <Catalog Number> (3,514)
S1336

>  <Synonyms> (3,514)
Luvox

>  <Target> (3,514)
5-HT Receptor

>  <Form> (3,514)
Maleate

>  <URL> (3,514)
http://www.selleckchem.com/products/Fluvoxamine-maleate.html

>  <CAS Number> (3,514)
61718-82-9

$$$$
Oxcarbazepine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,515)
3515

>  <Formula> (3,515)
C15H12N2O2

>  <MolWeight> (3,515)
252.26798

>  <Item Name> (3,515)
Oxcarbazepine

>  <Catalog Number> (3,515)
S1391

>  <Synonyms> (3,515)
Trileptal

>  <Target> (3,515)
Sodium Channel

>  <Form> (3,515)
Free Base

>  <URL> (3,515)
http://www.selleckchem.com/products/Oxcarbazepine.html

>  <CAS Number> (3,515)
28721-07-5

$$$$
H-89.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,516)
3516

>  <Formula> (3,516)
C20H22BrCl2N3O2S

>  <MolWeight> (3,516)
519.28258

>  <Item Name> (3,516)
H 89 2HCl

>  <Catalog Number> (3,516)
S1582

>  <Synonyms> (3,516)
N/A

>  <Target> (3,516)
S6 Kinase

>  <Form> (3,516)
Dihydrochloride

>  <URL> (3,516)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

>  <CAS Number> (3,516)
130964-39-5

$$$$
NAQUIVAL (trichlormethiazide).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,517)
3517

>  <Formula> (3,517)
C8H8Cl3N3O4S2

>  <MolWeight> (3,517)
380.65582

>  <Item Name> (3,517)
Trichlormethiazide (Achletin)

>  <Catalog Number> (3,517)
S1667

>  <Synonyms> (3,517)
Achletin, Diu-Hydrin, Triflumen

>  <Target> (3,517)
Others

>  <Form> (3,517)
Free Base

>  <URL> (3,517)
http://www.selleckchem.com/products/Trichlormethiazide(Achletin).html

>  <CAS Number> (3,517)
133-67-5

$$$$
PROFENAL (suprofen).cdx
csChFnd80/10101813242D

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 18 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,518)
3518

>  <Formula> (3,518)
C14H12O3S

>  <MolWeight> (3,518)
260.30828

>  <Item Name> (3,518)
Suprofen (Profenal)

>  <Catalog Number> (3,518)
S1761

>  <Synonyms> (3,518)
Profenal, Topalgic, Suprol

>  <Target> (3,518)
COX

>  <Form> (3,518)
Free Base

>  <URL> (3,518)
http://www.selleckchem.com/products/Suprofen(Profenal).html

>  <CAS Number> (3,518)
40828-46-4

$$$$
Pranlukast.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,519)
3519

>  <Formula> (3,519)
C27H23N5O4

>  <MolWeight> (3,519)
481.50262

>  <Item Name> (3,519)
Pranlukast

>  <Catalog Number> (3,519)
S1829

>  <Synonyms> (3,519)
N/A

>  <Target> (3,519)
Others

>  <Form> (3,519)
Free Base

>  <URL> (3,519)
http://www.selleckchem.com/products/pranlukast.html

>  <CAS Number> (3,519)
103177-37-3

$$$$
Oxfendazole.cdx
csChFnd80/10101813242D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6331    1.3951    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
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 14  2  1  0  0  0  0
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M  END
>  <Mol_ID> (3,520)
3520

>  <Formula> (3,520)
C15H13N3O3S

>  <MolWeight> (3,520)
315.34702

>  <Item Name> (3,520)
Oxfendazole

>  <Catalog Number> (3,520)
S1830

>  <Synonyms> (3,520)
N/A

>  <Target> (3,520)
Antifection

>  <Form> (3,520)
Free Base

>  <URL> (3,520)
http://www.selleckchem.com/products/oxfendazole.html

>  <CAS Number> (3,520)
53716-50-0

$$$$
Tizanidine hydrochloride.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,521)
3521

>  <Formula> (3,521)
C9H9Cl2N5S

>  <MolWeight> (3,521)
290.17226

>  <Item Name> (3,521)
Tizanidine HCl

>  <Catalog Number> (3,521)
S1437

>  <Synonyms> (3,521)
Zanaflex, Sirdalud

>  <Target> (3,521)
Adrenergic Receptor

>  <Form> (3,521)
Hydrochloride

>  <URL> (3,521)
http://www.selleckchem.com/products/Tizanidine-hydrochloride.html

>  <CAS Number> (3,521)
64461-82-1

$$$$
Calcifediol.cdx
csChFnd80/10101813242D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 13 30  1  1  0  0  0
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M  END
>  <Mol_ID> (3,522)
3522

>  <Formula> (3,522)
C27H44O2

>  <MolWeight> (3,522)
400.63706

>  <Item Name> (3,522)
Calcifediol

>  <Catalog Number> (3,522)
S1469

>  <Synonyms> (3,522)
Calcidiol, Didrogyl, Hidroferol

>  <Target> (3,522)
Vitamin

>  <Form> (3,522)
Free Base

>  <URL> (3,522)
http://www.selleckchem.com/products/Calcifediol.html

>  <CAS Number> (3,522)
19356-17-3

$$$$
Erythromycin ethylsuccinate.cdx
csChFnd80/10101813242D

 60 62  0  0  0  0  0  0  0  0999 V2000
    3.6459   10.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,523)
3523

>  <Formula> (3,523)
C43H75NO16

>  <MolWeight> (3,523)
862.0527

>  <Item Name> (3,523)
Erythromycin Ethylsuccinate

>  <Catalog Number> (3,523)
S4060

>  <Synonyms> (3,523)
N/A

>  <Target> (3,523)
Antifection

>  <Form> (3,523)
Free Base

>  <URL> (3,523)
http://www.selleckchem.com/products/erythromycin-ethylsuccinate.html

>  <CAS Number> (3,523)
1264-62-6

$$$$
Linezolid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,524)
3524

>  <Formula> (3,524)
C23H23N7O5

>  <MolWeight> (3,524)
477.47262

>  <Item Name> (3,524)
Pralatrexate(Folotyn)

>  <Catalog Number> (3,524)
S1497

>  <Synonyms> (3,524)
Folotyn

>  <Target> (3,524)
DHFR

>  <Form> (3,524)
Free Base

>  <URL> (3,524)
http://www.selleckchem.com/products/Pralatrexate(Folotyn).html

>  <CAS Number> (3,524)
146464-95-1

$$$$
CAVERJECT (alprostadil).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,525)
3525

>  <Formula> (3,525)
C20H34O5

>  <MolWeight> (3,525)
354.48096

>  <Item Name> (3,525)
Alprostadil(Caverject)

>  <Catalog Number> (3,525)
S1508

>  <Synonyms> (3,525)
Prostaglandin E1, Edex, Muse, Liprostin

>  <Target> (3,525)
Immunology & Inflammation related

>  <Form> (3,525)
Free Base

>  <URL> (3,525)
http://www.selleckchem.com/products/Alprostadil(Caverject).html

>  <CAS Number> (3,525)
745-65-3

$$$$
Roxatidine acetate hydrochloride.cdx
csChFnd80/10101813242D

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>  <Formula> (3,526)
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384.89756

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Roxatidine acetate HCl

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S1880

>  <Synonyms> (3,526)
N/A

>  <Target> (3,526)
Histamine Receptor

>  <Form> (3,526)
Hydrochloride

>  <URL> (3,526)
http://www.selleckchem.com/products/roxatidine-acetate-hcl.html

>  <CAS Number> (3,526)
93793-83-0

$$$$
Protionamide.cdx
csChFnd80/10101813242D

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3527

>  <Formula> (3,527)
C9H12N2S

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>  <Item Name> (3,527)
Protionamide (Prothionamide)

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S1881

>  <Synonyms> (3,527)
N/A

>  <Target> (3,527)
Antifection

>  <Form> (3,527)
Free Base

>  <URL> (3,527)
http://www.selleckchem.com/products/protionamide-prothionamide.html

>  <CAS Number> (3,527)
14222-60-7

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,528)
3528

>  <Formula> (3,528)
C9H10N4O2S2

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270.3313

>  <Item Name> (3,528)
Sulfamethizole (Proklar)

>  <Catalog Number> (3,528)
S1957

>  <Synonyms> (3,528)
Proklar

>  <Target> (3,528)
Antifection

>  <Form> (3,528)
Free Base

>  <URL> (3,528)
http://www.selleckchem.com/products/Sulfamethizole(Proklar).html

>  <CAS Number> (3,528)
144-82-1

$$$$
MYDRIACYL (tropicamide).cdx
csChFnd80/10101813242D

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3529

>  <Formula> (3,529)
C17H20N2O2

>  <MolWeight> (3,529)
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>  <Item Name> (3,529)
Tropicamide

>  <Catalog Number> (3,529)
S1913

>  <Synonyms> (3,529)
N/A

>  <Target> (3,529)
AChR

>  <Form> (3,529)
Free Base

>  <URL> (3,529)
http://www.selleckchem.com/products/tropicamide.html

>  <CAS Number> (3,529)
1508-75-4

$$$$
Sulbactam.cdx
csChFnd80/10101813242D

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3530

>  <Formula> (3,530)
C8H11NO5S

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Sulbactam

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S1958

>  <Synonyms> (3,530)
N/A

>  <Target> (3,530)
Antifection

>  <Form> (3,530)
Free Base

>  <URL> (3,530)
http://www.selleckchem.com/products/sulbactam.html

>  <CAS Number> (3,530)
68373-14-8

$$$$
Pranoprofen.cdx
csChFnd80/10101813242D

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3531

>  <Formula> (3,531)
C15H13NO3

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Pranoprofen

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S1960

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N/A

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COX

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Free Base

>  <URL> (3,531)
http://www.selleckchem.com/products/pranoprofen.html

>  <CAS Number> (3,531)
52549-17-4

$$$$
Rimantadine.cdx
csChFnd80/10101813242D

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3532

>  <Formula> (3,532)
C12H21N

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>  <Item Name> (3,532)
Rimantadine (Flumadine)

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S1964

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N/A

>  <Target> (3,532)
Antifection

>  <Form> (3,532)
Free Base

>  <URL> (3,532)
http://www.selleckchem.com/products/rimantadine-flumadine.html

>  <CAS Number> (3,532)
13392-28-4

$$$$
Meglumine.cdx
csChFnd80/10101813242D

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    7.2788    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  4 10  1  6  0  0  0
  6 11  1  6  0  0  0
  5 12  1  6  0  0  0
  7 13  1  1  0  0  0
M  END
>  <Mol_ID> (3,533)
3533

>  <Formula> (3,533)
C7H17NO5

>  <MolWeight> (3,533)
195.21358

>  <Item Name> (3,533)
Meglumine

>  <Catalog Number> (3,533)
S1974

>  <Synonyms> (3,533)
N/A

>  <Target> (3,533)
Others

>  <Form> (3,533)
Free Base

>  <URL> (3,533)
http://www.selleckchem.com/products/meglumine.html

>  <CAS Number> (3,533)
6284-40-8

$$$$
Diclazuril.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    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
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.0976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 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
  2 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  3  0  0  0  0
 14 18  1  0  0  0  0
 12 19  1  0  0  0  0
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 20 21  2  0  0  0  0
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 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 24 25  2  0  0  0  0
 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,534)
3534

>  <Formula> (3,534)
C17H9Cl3N4O2

>  <MolWeight> (3,534)
407.63796

>  <Item Name> (3,534)
Diclazuril

>  <Catalog Number> (3,534)
S2028

>  <Synonyms> (3,534)
N/A

>  <Target> (3,534)
Antifection

>  <Form> (3,534)
Free Base

>  <URL> (3,534)
http://www.selleckchem.com/products/diclazuril.html

>  <CAS Number> (3,534)
101831-37-2

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/10101813242D

 32 33  0  0  0  0  0  0  0  0999 V2000
   10.1504    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1504    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3629    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5753    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5753    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3629    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5711    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5711    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9960    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9960    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2042    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4166    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2042    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6248    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.0413    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2495    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7835    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   22.2495    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4620    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6744    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6744    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4620    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1631    4.1940    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7631    4.1940    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  1  0  0  0  0
  7  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
  8 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
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 19  8  1  0  0  0  0
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 12 25  1  0  0  0  0
 23 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,535)
3535

>  <Formula> (3,535)
C26H28Cl2F2N2

>  <MolWeight> (3,535)
477.4167264

>  <Item Name> (3,535)
Flunarizine 2HCl

>  <Catalog Number> (3,535)
S2030

>  <Synonyms> (3,535)
N/A

>  <Target> (3,535)
Calcium Channel

>  <Form> (3,535)
2HCl

>  <URL> (3,535)
http://www.selleckchem.com/products/flunarizine-dihydrochloride.html

>  <CAS Number> (3,535)
30484-77-6

$$$$
Fenticonazole nitrate.cdx
csChFnd80/10101813242D

 34 36  0  0  0  0  0  0  0  0999 V2000
    4.8413    4.9270    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0538    5.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.8343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  3  1  0  0  0  0
  6 13  2  0  0  0  0
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 17  6  1  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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 28  7  1  0  0  0  0
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 12 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (3,536)
3536

>  <Formula> (3,536)
C24H21Cl2N3O4S

>  <MolWeight> (3,536)
518.41224

>  <Item Name> (3,536)
Fenticonazole nitrate

>  <Catalog Number> (3,536)
S2031

>  <Synonyms> (3,536)
N/A

>  <Target> (3,536)
Antifection

>  <Form> (3,536)
Nitrate

>  <URL> (3,536)
http://www.selleckchem.com/products/fenticonazole-nitrate.html

>  <CAS Number> (3,536)
73151-29-8

$$$$
Rebamipide.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25  1  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,537)
3537

>  <Formula> (3,537)
C19H15ClN2O4

>  <MolWeight> (3,537)
370.7864

>  <Item Name> (3,537)
Rebamipide

>  <Catalog Number> (3,537)
S2032

>  <Synonyms> (3,537)
N/A

>  <Target> (3,537)
Others

>  <Form> (3,537)
Free Base

>  <URL> (3,537)
http://www.selleckchem.com/products/rebamipide.html

>  <CAS Number> (3,537)
90098-04-7

$$$$
Bromhexine hydrochloride.cdx
csChFnd80/10101813242D

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    4.8455    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,538)
3538

>  <Formula> (3,538)
C14H21Br2ClN2

>  <MolWeight> (3,538)
412.59094

>  <Item Name> (3,538)
Bromhexine HCl

>  <Catalog Number> (3,538)
S2060

>  <Synonyms> (3,538)
N/A

>  <Target> (3,538)
Others

>  <Form> (3,538)
HCl

>  <URL> (3,538)
http://www.selleckchem.com/products/bromhexine-hydrochloride.html

>  <CAS Number> (3,538)
611-75-6

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/10101813242D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6205    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> (3,539)
3539

>  <Formula> (3,539)
C24H36O5

>  <MolWeight> (3,539)
404.53964

>  <Item Name> (3,539)
Lovastatin (Mevacor)

>  <Catalog Number> (3,539)
S2061

>  <Synonyms> (3,539)
N/A

>  <Target> (3,539)
HMG-CoA Reductase

>  <Form> (3,539)
Free Base

>  <URL> (3,539)
http://www.selleckchem.com/products/lovastatin-mevacor.html

>  <CAS Number> (3,539)
75330-75-5

$$$$
Tiopronin.cdx
csChFnd80/10101813242D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,540)
3540

>  <Formula> (3,540)
C5H9NO3S

>  <MolWeight> (3,540)
163.19486

>  <Item Name> (3,540)
Tiopronin (Thiola)

>  <Catalog Number> (3,540)
S2062

>  <Synonyms> (3,540)
N/A

>  <Target> (3,540)
ROS

>  <Form> (3,540)
Free Base

>  <URL> (3,540)
http://www.selleckchem.com/products/tiopronin-thiola.html

>  <CAS Number> (3,540)
1953-02-2

$$$$
Balofloxacin.cdx
csChFnd80/10101813242D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8413    2.6076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,541)
3541

>  <Formula> (3,541)
C20H24FN3O4

>  <MolWeight> (3,541)
389.4206632

>  <Item Name> (3,541)
Balofloxacin

>  <Catalog Number> (3,541)
S2064

>  <Synonyms> (3,541)
N/A

>  <Target> (3,541)
Topoisomerase

>  <Form> (3,541)
Free Base

>  <URL> (3,541)
http://www.selleckchem.com/products/balofloxacin.html

>  <CAS Number> (3,541)
127294-70-6

$$$$
Lafutidine.cdx
csChFnd80/10101813242D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,542)
3542

>  <Formula> (3,542)
C22H29N3O4S

>  <MolWeight> (3,542)
431.54836

>  <Item Name> (3,542)
Lafutidine

>  <Catalog Number> (3,542)
S2065

>  <Synonyms> (3,542)
N/A

>  <Target> (3,542)
Histamine Receptor

>  <Form> (3,542)
Free Base

>  <URL> (3,542)
http://www.selleckchem.com/products/lafutidine.html

>  <CAS Number> (3,542)
118288-08-7

$$$$
Moxonidine.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,543)
3543

>  <Formula> (3,543)
C9H12ClN5O

>  <MolWeight> (3,543)
241.67748

>  <Item Name> (3,543)
Moxonidine

>  <Catalog Number> (3,543)
S2066

>  <Synonyms> (3,543)
N/A

>  <Target> (3,543)
Others

>  <Form> (3,543)
Free Base

>  <URL> (3,543)
http://www.selleckchem.com/products/moxonidine.html

>  <CAS Number> (3,543)
75438-57-2

$$$$
Argatroban.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,544)
3544

>  <Formula> (3,544)
C23H36N6O5S

>  <MolWeight> (3,544)
508.63414

>  <Item Name> (3,544)
Argatroban

>  <Catalog Number> (3,544)
S2069

>  <Synonyms> (3,544)
N/A

>  <Target> (3,544)
Thrombin

>  <Form> (3,544)
Free Base

>  <URL> (3,544)
http://www.selleckchem.com/products/argatroban.html

>  <CAS Number> (3,544)
74863-84-6

$$$$
Mecarbinate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,545)
3545

>  <Formula> (3,545)
C13H15NO3

>  <MolWeight> (3,545)
233.2631

>  <Item Name> (3,545)
Mecarbinate

>  <Catalog Number> (3,545)
S2074

>  <Synonyms> (3,545)
N/A

>  <Target> (3,545)
Others

>  <Form> (3,545)
Free Base

>  <URL> (3,545)
http://www.selleckchem.com/products/mecarbinate.html

>  <CAS Number> (3,545)
15574-49-9

$$$$
Rosiglitazone hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,546)
3546

>  <Formula> (3,546)
C18H20ClN3O3S

>  <MolWeight> (3,546)
393.8877

>  <Item Name> (3,546)
Rosiglitazone HCl

>  <Catalog Number> (3,546)
S2075

>  <Synonyms> (3,546)
N/A

>  <Target> (3,546)
PPAR

>  <Form> (3,546)
HCl

>  <URL> (3,546)
http://www.selleckchem.com/products/rosiglitazone-hydrochloride.html

>  <CAS Number> (3,546)
302543-62-0

$$$$
Atorvastatin calcium.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,547)
3547

>  <Formula> (3,547)
C66H68CaF2N4O10

>  <MolWeight> (3,547)
1155.3417264

>  <Item Name> (3,547)
Atorvastatin calcium (Lipitor)

>  <Catalog Number> (3,547)
S2077

>  <Synonyms> (3,547)
N/A

>  <Target> (3,547)
HMG-CoA Reductase

>  <Form> (3,547)
Calcium 

>  <URL> (3,547)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

>  <CAS Number> (3,547)
134523-03-8

$$$$
Famotidine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,548)
3548

>  <Formula> (3,548)
C8H15N7O2S3

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337.4454

>  <Item Name> (3,548)
Famotidine (Pepcid)

>  <Catalog Number> (3,548)
S2078

>  <Synonyms> (3,548)
N/A

>  <Target> (3,548)
Histamine Receptor

>  <Form> (3,548)
Free Base

>  <URL> (3,548)
http://www.selleckchem.com/products/famotidine-pepcid.html

>  <CAS Number> (3,548)
76824-35-6

$$$$
Moexipril hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,549)
3549

>  <Formula> (3,549)
C27H35ClN2O7

>  <MolWeight> (3,549)
535.029

>  <Item Name> (3,549)
Moexipril HCl

>  <Catalog Number> (3,549)
S2079

>  <Synonyms> (3,549)
N/A

>  <Target> (3,549)
RAAS

>  <Form> (3,549)
Hydrochloride

>  <URL> (3,549)
http://www.selleckchem.com/products/moexipril-hydrochloride.html

>  <CAS Number> (3,549)
82586-52-5

$$$$
Cleviprex.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,550)
3550

>  <Formula> (3,550)
C21H23Cl2NO6

>  <MolWeight> (3,550)
456.31642

>  <Item Name> (3,550)
Clevidipine Butyrate

>  <Catalog Number> (3,550)
S2080

>  <Synonyms> (3,550)
N/A

>  <Target> (3,550)
Calcium Channel

>  <Form> (3,550)
Free Base

>  <URL> (3,550)
http://www.selleckchem.com/products/cleviprex-clevidipine.html

>  <CAS Number> (3,550)
167221-71-8

$$$$
Adiphenine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,551)
3551

>  <Formula> (3,551)
C20H26ClNO2

>  <MolWeight> (3,551)
347.87894

>  <Item Name> (3,551)
Adiphenine HCl

>  <Catalog Number> (3,551)
S2082

>  <Synonyms> (3,551)
N/A

>  <Target> (3,551)
AChR

>  <Form> (3,551)
HCl

>  <URL> (3,551)
http://www.selleckchem.com/products/adiphenine-hcl.html

>  <CAS Number> (3,551)
50-42-0

$$$$
Ambrisentan.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,552)
3552

>  <Formula> (3,552)
C22H22N2O4

>  <MolWeight> (3,552)
378.42108

>  <Item Name> (3,552)
Ambrisentan

>  <Catalog Number> (3,552)
S2097

>  <Synonyms> (3,552)
N/A

>  <Target> (3,552)
Endothelin Receptor

>  <Form> (3,552)
Free Base

>  <URL> (3,552)
http://www.selleckchem.com/products/ambrisentan.html

>  <CAS Number> (3,552)
177036-94-1

$$$$
Bexarotene.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,553)
3553

>  <Formula> (3,553)
C24H28O2

>  <MolWeight> (3,553)
348.47792

>  <Item Name> (3,553)
Bexarotene

>  <Catalog Number> (3,553)
S2098

>  <Synonyms> (3,553)
N/A

>  <Target> (3,553)
Retinoid Receptor

>  <Form> (3,553)
Free Base

>  <URL> (3,553)
http://www.selleckchem.com/products/bexarotene.html

>  <CAS Number> (3,553)
153559-49-0

$$$$
Temocapril hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,554)
3554

>  <Formula> (3,554)
C23H29ClN2O5S2

>  <MolWeight> (3,554)
513.06976

>  <Item Name> (3,554)
Temocapril HCl

>  <Catalog Number> (3,554)
S2099

>  <Synonyms> (3,554)
N/A

>  <Target> (3,554)
RAAS

>  <Form> (3,554)
Hydrochloride

>  <URL> (3,554)
http://www.selleckchem.com/products/temocapril-hcl.html

>  <CAS Number> (3,554)
110221-44-8

$$$$
Gabexate mesylate.cdx
csChFnd80/10101813242D

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   13.3495    6.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1328    8.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    5.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    6.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9868    5.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1992    6.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    4.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4743    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8791    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2840    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  4 19  1  0  0  0  0
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 19 23  2  0  0  0  0
 24 25  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,555)
3555

>  <Formula> (3,555)
C17H27N3O7S

>  <MolWeight> (3,555)
417.47718

>  <Item Name> (3,555)
Gabexate mesylate

>  <Catalog Number> (3,555)
S2101

>  <Synonyms> (3,555)
N/A

>  <Target> (3,555)
Proteasome

>  <Form> (3,555)
Mesylate

>  <URL> (3,555)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (3,555)
56974-61-9

$$$$
Rasagiline mesylate.cdx
csChFnd80/10101813242D

 18 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
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    2.5326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.0291    3.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0291    0.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  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
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 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (3,556)
3556

>  <Formula> (3,556)
C13H17NO3S

>  <MolWeight> (3,556)
267.34398

>  <Item Name> (3,556)
Rasagiline mesylate

>  <Catalog Number> (3,556)
S2102

>  <Synonyms> (3,556)
N/A

>  <Target> (3,556)
MAO

>  <Form> (3,556)
Mesylate

>  <URL> (3,556)
http://www.selleckchem.com/products/rasagiline-mesylate.html

>  <CAS Number> (3,556)
161735-79-1

$$$$
Flunixin meglumine.cdx
csChFnd80/10101813242D

 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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    1.4000    9.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    8.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    8.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 13 17  1  0  0  0  0
 12 21  1  0  0  0  0
 10 11  1  0  0  0  0
  1 10  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
>  <Mol_ID> (3,557)
3557

>  <Formula> (3,557)
C21H28F3N3O7

>  <MolWeight> (3,557)
491.4581296

>  <Item Name> (3,557)
Flunixin meglumin

>  <Catalog Number> (3,557)
S2108

>  <Synonyms> (3,557)
N/A

>  <Target> (3,557)
COX

>  <Form> (3,557)
Meglumin

>  <URL> (3,557)
http://www.selleckchem.com/products/flunixin-meglumin.html

>  <CAS Number> (3,557)
42461-84-7

$$$$
Dronedarone hydrochloride.cdx
csChFnd80/10101813242D

 40 41  0  0  0  0  0  0  0  0999 V2000
    3.6289    3.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.0165    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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  8 15  1  0  0  0  0
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  9 19  1  0  0  0  0
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 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
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 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (3,558)
3558

>  <Formula> (3,558)
C31H45ClN2O5S

>  <MolWeight> (3,558)
593.2174

>  <Item Name> (3,558)
Dronedarone HCl (Multaq)

>  <Catalog Number> (3,558)
S2114

>  <Synonyms> (3,558)
N/A

>  <Target> (3,558)
Potassium Channel,Sodium

>  <Form> (3,558)
HCl

>  <URL> (3,558)
http://www.selleckchem.com/products/dronedarone-hcl-multaq.html

>  <CAS Number> (3,558)
141625-93-6

$$$$
Conivaptan hydrochloride.cdx
csChFnd80/10101813242D

 39 43  0  0  0  0  0  0  0  0999 V2000
    4.8455    5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,559)
3559

>  <Formula> (3,559)
C32H27ClN4O2

>  <MolWeight> (3,559)
535.03538

>  <Item Name> (3,559)
Conivaptan HCl (Vaprisol)

>  <Catalog Number> (3,559)
S2116

>  <Synonyms> (3,559)
N/A

>  <Target> (3,559)
Vasopressin Receptor

>  <Form> (3,559)
HCl

>  <URL> (3,559)
http://www.selleckchem.com/products/conivaptan-hcl-vaprisol.html

>  <CAS Number> (3,559)
168626-94-6

$$$$

csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,560)
3560

>  <Formula> (3,560)
C44H76N4O10S2

>  <MolWeight> (3,560)
885.22504

>  <Item Name> (3,560)
Ibutilide fumarate

>  <Catalog Number> (3,560)
S2118

>  <Synonyms> (3,560)
N/A

>  <Target> (3,560)
Sodium Channel

>  <Form> (3,560)
Fumarate

>  <URL> (3,560)
http://www.selleckchem.com/products/ibutilide-fumarate.html

>  <CAS Number> (3,560)
122647-32-9

$$$$
LORELCO (probucol).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,561)
3561

>  <Formula> (3,561)
C31H48O2S2

>  <MolWeight> (3,561)
516.84162

>  <Item Name> (3,561)
Probucol

>  <Catalog Number> (3,561)
S2119

>  <Synonyms> (3,561)
N/A

>  <Target> (3,561)
Others

>  <Form> (3,561)
Free Base

>  <URL> (3,561)
http://www.selleckchem.com/products/probucol.html

>  <CAS Number> (3,561)
23288-49-5

$$$$
Arbidol hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,562)
3562

>  <Formula> (3,562)
C22H26BrClN2O3S

>  <MolWeight> (3,562)
513.87544

>  <Item Name> (3,562)
Arbidol HCl

>  <Catalog Number> (3,562)
S2120

>  <Synonyms> (3,562)
N/A

>  <Target> (3,562)
Antifection

>  <Form> (3,562)
Hydrochloride

>  <URL> (3,562)
http://www.selleckchem.com/products/Arbidol-hcl.html

>  <CAS Number> (3,562)
131707-23-8

$$$$
Levosimendan.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,563)
3563

>  <Formula> (3,563)
C14H12N6O

>  <MolWeight> (3,563)
280.28468

>  <Item Name> (3,563)
Levosimendan

>  <Catalog Number> (3,563)
S2446

>  <Synonyms> (3,563)
N/A

>  <Target> (3,563)
Calcium Channel

>  <Form> (3,563)
Free Base

>  <URL> (3,563)
http://www.selleckchem.com/products/levosimendan.html

>  <CAS Number> (3,563)
141505-33-1

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,564)
3564

>  <Formula> (3,564)
C24H30F2O6

>  <MolWeight> (3,564)
452.4882064

>  <Item Name> (3,564)
Fluocinolone acetonide (Flucort-N)

>  <Catalog Number> (3,564)
S2470

>  <Synonyms> (3,564)
Flucort-N

>  <Target> (3,564)
Glucocorticoid Receptor

>  <Form> (3,564)
Free Base

>  <URL> (3,564)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

>  <CAS Number> (3,564)
67-73-2

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,565)
3565

>  <Formula> (3,565)
C18H23Cl2NO

>  <MolWeight> (3,565)
340.28732

>  <Item Name> (3,565)
Phenoxybenzamine HCl

>  <Catalog Number> (3,565)
S2499

>  <Synonyms> (3,565)
N/A

>  <Target> (3,565)
Androgen Receptor

>  <Form> (3,565)
HCl

>  <URL> (3,565)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

>  <CAS Number> (3,565)
63-92-3

$$$$
Propafenone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,566)
3566

>  <Formula> (3,566)
C21H27NO3

>  <MolWeight> (3,566)
341.44398

>  <Item Name> (3,566)
Propafenone HCl

>  <Catalog Number> (3,566)
S2500

>  <Synonyms> (3,566)
Rythmol SR, Rytmonorm

>  <Target> (3,566)
Sodium Channel

>  <Form> (3,566)
Hydrochloride

>  <URL> (3,566)
http://www.selleckchem.com/products/Propafenone(Rytmonorm).html

>  <CAS Number> (3,566)
34183-22-7

$$$$
Roxithromycin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,567)
3567

>  <Formula> (3,567)
C41H76N2O15

>  <MolWeight> (3,567)
837.04654

>  <Item Name> (3,567)
Roxithromycin (Roxl-150)

>  <Catalog Number> (3,567)
S2506

>  <Synonyms> (3,567)
Roxl-150, Roxo, Surlid, Rulide, Biaxsig, Roxar, Roximycin, Roxomycin, Tirabicin, Coroxin

>  <Target> (3,567)
Antifection

>  <Form> (3,567)
Free Base

>  <URL> (3,567)
http://www.selleckchem.com/products/Roxithromycin(Roxl-150).html

>  <CAS Number> (3,567)
80214-83-1

$$$$
Tenoxicam.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,568)
3568

>  <Formula> (3,568)
C13H11N3O4S2

>  <MolWeight> (3,568)
337.37414

>  <Item Name> (3,568)
Tenoxicam(Mobiflex)

>  <Catalog Number> (3,568)
S2512

>  <Synonyms> (3,568)
Mobiflex

>  <Target> (3,568)
COX

>  <Form> (3,568)
Free Base

>  <URL> (3,568)
http://www.selleckchem.com/products/Tenoxicam(Mobiflex).html

>  <CAS Number> (3,568)
59804-37-4

$$$$
Xylometazoline hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,569)
3569

>  <Formula> (3,569)
C16H25ClN2

>  <MolWeight> (3,569)
280.8361

>  <Item Name> (3,569)
Xylometazoline HCl

>  <Catalog Number> (3,569)
S2576

>  <Synonyms> (3,569)
N/A

>  <Target> (3,569)
Adrenergic Receptor

>  <Form> (3,569)
HCl

>  <URL> (3,569)
http://www.selleckchem.com/products/xylometazoline-hcl.html

>  <CAS Number> (3,569)
1218-35-5

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,570)
3570

>  <Formula> (3,570)
C19H19N3O6

>  <MolWeight> (3,570)
385.37066

>  <Item Name> (3,570)
Nilvadipine (ARC029)

>  <Catalog Number> (3,570)
S2721

>  <Synonyms> (3,570)
N/A

>  <Target> (3,570)
Calcium Channel

>  <Form> (3,570)
Free Base

>  <URL> (3,570)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (3,570)
75530-68-6

$$$$
Carbazochrome sodium sulfonate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,571)
3571

>  <Formula> (3,571)
C10H11N4NaO5S

>  <MolWeight> (3,571)
322.27291

>  <Item Name> (3,571)
Carbazochrome sodium sulfonate

>  <Catalog Number> (3,571)
S3000

>  <Synonyms> (3,571)
N/A

>  <Target> (3,571)
Others

>  <Form> (3,571)
Sodium

>  <URL> (3,571)
http://www.selleckchem.com/products/carbazochrome-sodium-sulfonate.html

>  <CAS Number> (3,571)
51460-26-5

$$$$
Clevudine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,572)
3572

>  <Formula> (3,572)
C10H13FN2O5

>  <MolWeight> (3,572)
260.2190232

>  <Item Name> (3,572)
Clevudine (Levovir)

>  <Catalog Number> (3,572)
S3001

>  <Synonyms> (3,572)
N/A

>  <Target> (3,572)
Others

>  <Form> (3,572)
Free Base

>  <URL> (3,572)
http://www.selleckchem.com/products/clevudine-levovir.html

>  <CAS Number> (3,572)
163252-36-6

$$$$
Zaltoprofen.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,573)
3573

>  <Formula> (3,573)
C17H14O3S

>  <MolWeight> (3,573)
298.35626

>  <Item Name> (3,573)
Zaltoprofen

>  <Catalog Number> (3,573)
S3008

>  <Synonyms> (3,573)
N/A

>  <Target> (3,573)
COX

>  <Form> (3,573)
Free Base

>  <URL> (3,573)
http://www.selleckchem.com/products/zaltoprofen.html

>  <CAS Number> (3,573)
74711-43-6

$$$$
aspirin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,574)
3574

>  <Formula> (3,574)
C9H8O4

>  <MolWeight> (3,574)
180.15742

>  <Item Name> (3,574)
Aspirin (Acetylsalicylic acid)

>  <Catalog Number> (3,574)
S3017

>  <Synonyms> (3,574)
N/A

>  <Target> (3,574)
COX

>  <Form> (3,574)
Free Base

>  <URL> (3,574)
http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

>  <CAS Number> (3,574)
50-78-2

$$$$
Niflumic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,575)
3575

>  <Formula> (3,575)
C13H9F3N2O2

>  <MolWeight> (3,575)
282.2179696

>  <Item Name> (3,575)
Niflumic acid

>  <Catalog Number> (3,575)
S3018

>  <Synonyms> (3,575)
N/A

>  <Target> (3,575)
GABA Receptor

>  <Form> (3,575)
Free Base

>  <URL> (3,575)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (3,575)
4394-00-7

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,576)
3576

>  <Formula> (3,576)
C25H35N3O6S

>  <MolWeight> (3,576)
505.6269

>  <Item Name> (3,576)
Amprenavir (Agenerase)

>  <Catalog Number> (3,576)
S1639

>  <Synonyms> (3,576)
Agenerase

>  <Target> (3,576)
HIV Protease

>  <Form> (3,576)
Free Base

>  <URL> (3,576)
http://www.selleckchem.com/products/Amprenavir-(Agenerase).html

>  <CAS Number> (3,576)
161814-49-9

$$$$
PREZISTA (darunavir ethanolate).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,577)
3577

>  <Formula> (3,577)
C29H43N3O8S

>  <MolWeight> (3,577)
593.73202

>  <Item Name> (3,577)
Darunavir Ethanolate (Prezista)

>  <Catalog Number> (3,577)
S1620

>  <Synonyms> (3,577)
Prezista, TMC114

>  <Target> (3,577)
HIV Protease

>  <Form> (3,577)
Ethanolate

>  <URL> (3,577)
http://www.selleckchem.com/products/Darunavir-Ethanolate(Prezista).html

>  <CAS Number> (3,577)
635728-49-3

$$$$
Proparacaine hydrochloride.cdx
csChFnd80/10101813242D

 22 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,578)
3578

>  <Formula> (3,578)
C16H27ClN2O3

>  <MolWeight> (3,578)
330.85018

>  <Item Name> (3,578)
Proparacaine HCl

>  <Catalog Number> (3,578)
S1828

>  <Synonyms> (3,578)
N/A

>  <Target> (3,578)
Sodium Channel

>  <Form> (3,578)
Hydrochloride

>  <URL> (3,578)
http://www.selleckchem.com/products/proparacaine-hcl.html

>  <CAS Number> (3,578)
5875-06-9

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,579)
3579

>  <Formula> (3,579)
C18H14N4O5S

>  <MolWeight> (3,579)
398.39256

>  <Item Name> (3,579)
Sulfasalazine (Azulfidine)

>  <Catalog Number> (3,579)
S1576

>  <Synonyms> (3,579)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (3,579)
COX,NF-¦ÊB

>  <Form> (3,579)
Free Base

>  <URL> (3,579)
http://www.selleckchem.com/products/Sulfasalazine(Azulfidine).html

>  <CAS Number> (3,579)
599-79-1

$$$$
LY 2484595.cdx
csChFnd80/10101813242D

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HBr

>  <URL> (3,584)
http://www.selleckchem.com/products/pifithrin-alpha.html

>  <CAS Number> (3,584)
63208-82-2

$$$$
CGS-21680 hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,585)
3585

>  <Formula> (3,585)
C23H30ClN7O6

>  <MolWeight> (3,585)
535.9806

>  <Item Name> (3,585)
CGS 21680 HCl

>  <Catalog Number> (3,585)
S2153

>  <Synonyms> (3,585)
N/A

>  <Target> (3,585)
5-alpha Reductase

>  <Form> (3,585)
Hydrochloride

>  <URL> (3,585)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

>  <CAS Number> (3,585)
124431-80-7

$$$$
Epiandrosterone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,586)
3586

>  <Formula> (3,586)
C19H30O2

>  <MolWeight> (3,586)
290.4403

>  <Item Name> (3,586)
Epiandrosterone (3¦Â-androsterone)

>  <Catalog Number> (3,586)
S2832

>  <Synonyms> (3,586)
N/A

>  <Target> (3,586)
Estrogen/progestogen Receptor

>  <Form> (3,586)
Free Base

>  <URL> (3,586)
http://www.selleckchem.com/products/epiandrosterone-3beta-androsterone.html

>  <CAS Number> (3,586)
481-29-8

$$$$
Cathepsin Inhibitor 1.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,587)
3587

>  <Formula> (3,587)
C20H24ClN5O2

>  <MolWeight> (3,587)
401.88986

>  <Item Name> (3,587)
Cathepsin Inhibitor 1

>  <Catalog Number> (3,587)
S2847

>  <Synonyms> (3,587)
N/A

>  <Target> (3,587)
Cysteine Protease

>  <Form> (3,587)
Free Base

>  <URL> (3,587)
http://www.selleckchem.com/products/cathepsin-Inhibitor-1.html

>  <CAS Number> (3,587)
225120-65-0

$$$$

csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,588)
3588

>  <Formula> (3,588)
C22H23ClKN6O

>  <MolWeight> (3,588)
462.00892

>  <Item Name> (3,588)
Losartan potassium

>  <Catalog Number> (3,588)
S1359

>  <Synonyms> (3,588)
Cozaar

>  <Target> (3,588)
RAAS

>  <Form> (3,588)
Potassium salt

>  <URL> (3,588)
http://www.selleckchem.com/products/losartan-potassium.html

>  <CAS Number> (3,588)
124750-99-8

$$$$
ZAGAM (sparfloxacin).cdx
csChFnd80/10101813242D

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110871-86-8

$$$$
Tolnaftate.cdx
csChFnd80/10101813242D

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Tolnaftate

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N/A

>  <Target> (3,590)
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>  <Form> (3,590)
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>  <URL> (3,590)
http://www.selleckchem.com/products/tolnaftate.html

>  <CAS Number> (3,590)
2398-96-1

$$$$
Arecoline hydrobromide.cdx
csChFnd80/10101813242D

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AChR

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HBr

>  <URL> (3,591)
http://www.selleckchem.com/products/arecoline.html

>  <CAS Number> (3,591)
300-08-3 

$$$$
OSI-906.cdx
csChFnd80/10101813242D

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3592

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C26H23N5O

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OSI-906 (Linsitinib)

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N/A

>  <Target> (3,592)
IGF-1R

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Free Base

>  <URL> (3,592)
http://www.selleckchem.com/products/OSI-906.html

>  <CAS Number> (3,592)
867160-71-2

$$$$
aicar.cdx
csChFnd80/10101813242D

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AICAR, AICA-riboside

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AMPK

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Free Base

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

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2627-69-2

$$$$
Cobicistat (GS-9350).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,594)
3594

>  <Formula> (3,594)
C40H53N7O5S2

>  <MolWeight> (3,594)
776.02272

>  <Item Name> (3,594)
Cobicistat (GS-9350)

>  <Catalog Number> (3,594)
S2900

>  <Synonyms> (3,594)
N/A

>  <Target> (3,594)
P450 (e.g. CYP17)

>  <Form> (3,594)
Free Base

>  <URL> (3,594)
http://www.selleckchem.com/products/cobicistat-gs-9350.html

>  <CAS Number> (3,594)
1004316-88-4

$$$$
Pergolide mesylate salt.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,595)
3595

>  <Formula> (3,595)
C20H30N2O3S2

>  <MolWeight> (3,595)
410.5938

>  <Item Name> (3,595)
Pergolide mesylate

>  <Catalog Number> (3,595)
S4000

>  <Synonyms> (3,595)
N/A

>  <Target> (3,595)
Dopamine Receptor

>  <Form> (3,595)
Mesylate

>  <URL> (3,595)
http://www.selleckchem.com/products/Pergolide-mesylate.html

>  <CAS Number> (3,595)
66104-23-2

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,596)
3596

>  <Formula> (3,596)
C32H30FN3O10

>  <MolWeight> (3,596)
635.5931032

>  <Item Name> (3,596)
Cabozantinib malate

>  <Catalog Number> (3,596)
S4001

>  <Synonyms> (3,596)
N/A

>  <Target> (3,596)
VEGFR

>  <Form> (3,596)
Malate

>  <URL> (3,596)
http://www.selleckchem.com/products/cabozantinib-malate.html

>  <CAS Number> (3,596)
1140909-48-3

$$$$
PF-04708671.cdx
csChFnd80/10101813242D

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S1066

>  <Synonyms> (3,601)
N/A

>  <Target> (3,601)
MEK

>  <Form> (3,601)
Free Base

>  <URL> (3,601)
http://www.selleckchem.com/products/SL327.html

>  <CAS Number> (3,601)
305350-87-2

$$$$
acebutolol hydrochloride.cdx
csChFnd80/10101813242D

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3602

>  <Formula> (3,602)
C18H29ClN2O4

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372.88686

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Acebutolol HCl

>  <Catalog Number> (3,602)
S4010

>  <Synonyms> (3,602)
N/A

>  <Target> (3,602)
Adrenergic Receptor

>  <Form> (3,602)
Hydrochloride

>  <URL> (3,602)
http://www.selleckchem.com/products/acebutolol-hcl.html

>  <CAS Number> (3,602)
34381-68-5

$$$$
Ampiroxicam.cdx
csChFnd80/10101813242D

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3603

>  <Formula> (3,603)
C20H21N3O7S

>  <MolWeight> (3,603)
447.46164

>  <Item Name> (3,603)
Ampiroxicam

>  <Catalog Number> (3,603)
S4011

>  <Synonyms> (3,603)
N/A

>  <Target> (3,603)
COX

>  <Form> (3,603)
Free Base

>  <URL> (3,603)
http://www.selleckchem.com/products/ampiroxicam.html

>  <CAS Number> (3,603)
99464-64-9

$$$$
Lithocholic acid.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,604)
3604

>  <Formula> (3,604)
C24H40O3

>  <MolWeight> (3,604)
376.5726

>  <Item Name> (3,604)
Lithocholic acid

>  <Catalog Number> (3,604)
S4003

>  <Synonyms> (3,604)
N/A

>  <Target> (3,604)
FXR

>  <Form> (3,604)
Free Base

>  <URL> (3,604)
http://www.selleckchem.com/products/lithocholic-acid.html

>  <CAS Number> (3,604)
434-13-9

$$$$
Mirabegron.cdx
csChFnd80/10101813242D

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3605

>  <Formula> (3,605)
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Mirabegron (YM178)

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N/A

>  <Target> (3,605)
Adrenergic Receptor

>  <Form> (3,605)
Free Base

>  <URL> (3,605)
http://www.selleckchem.com/products/mirabegron-ym178.html

>  <CAS Number> (3,605)
223673-61-8

$$$$
Allylthiourea.cdx
csChFnd80/10101813242D

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116.18472

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Allylthiourea

>  <Catalog Number> (3,606)
S4017

>  <Synonyms> (3,606)
N/A

>  <Target> (3,606)
Others

>  <Form> (3,606)
Free Base

>  <URL> (3,606)
http://www.selleckchem.com/products/allylthiourea.html

>  <CAS Number> (3,606)
109-57-9

$$$$
Hyoscyamine (L).cdx
csChFnd80/10101813242D

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C17H23NO3

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Hyoscyamine (Daturine)

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S4014

>  <Synonyms> (3,607)
N/A

>  <Target> (3,607)
AChR

>  <Form> (3,607)
Free Base

>  <URL> (3,607)
http://www.selleckchem.com/products/hyoscyamine-daturine.html

>  <CAS Number> (3,607)
101-31-5

$$$$
Avanafil.cdx
csChFnd80/10101813242D

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3608

>  <Formula> (3,608)
C23H26ClN7O3

>  <MolWeight> (3,608)
483.95064

>  <Item Name> (3,608)
Avanafil

>  <Catalog Number> (3,608)
S4019

>  <Synonyms> (3,608)
N/A

>  <Target> (3,608)
PDE

>  <Form> (3,608)
Free Base

>  <URL> (3,608)
http://www.selleckchem.com/products/avanafil.html

>  <CAS Number> (3,608)
330784-47-9

$$$$
BENEMID (probenecid).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,609)
3609

>  <Formula> (3,609)
C13H19NO4S

>  <MolWeight> (3,609)
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>  <Item Name> (3,609)
Probenecid (Benemid) 

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>  <Synonyms> (3,609)
Probalan

>  <Target> (3,609)
TRPV

>  <Form> (3,609)
Free Base

>  <URL> (3,609)
http://www.selleckchem.com/products/probenecid-benemid.html

>  <CAS Number> (3,609)
57-66-9

$$$$
procaine hydrochloride.cdx
csChFnd80/10101813242D

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3610

>  <Formula> (3,610)
C13H21ClN2O2

>  <MolWeight> (3,610)
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>  <Item Name> (3,610)
Procaine (Novocaine) HCl

>  <Catalog Number> (3,610)
S4023

>  <Synonyms> (3,610)
N/A

>  <Target> (3,610)
Sodium Channel

>  <Form> (3,610)
HCl

>  <URL> (3,610)
http://www.selleckchem.com/products/procaine-novocaine-hcl.html

>  <CAS Number> (3,610)
51-05-8

$$$$
sennoside A.cdx
csChFnd80/10101813242D

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>  <MolWeight> (3,611)
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>  <Item Name> (3,611)
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>  <Catalog Number> (3,611)
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>  <Synonyms> (3,611)
N/A

>  <Target> (3,611)
Others

>  <Form> (3,611)
Free Base

>  <URL> (3,611)
http://www.selleckchem.com/products/sennoside-a.html

>  <CAS Number> (3,611)
81-27-6

$$$$
sennoside B.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,612)
3612

>  <Formula> (3,612)
C42H38O20

>  <MolWeight> (3,612)
862.73912

>  <Item Name> (3,612)
Sennoside B

>  <Catalog Number> (3,612)
S4018

>  <Synonyms> (3,612)
N/A

>  <Target> (3,612)
Others

>  <Form> (3,612)
Free Base

>  <URL> (3,612)
http://www.selleckchem.com/products/sennoside-b.html

>  <CAS Number> (3,612)
128-57-4

$$$$
Sodium picosulfate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,613)
3613

>  <Formula> (3,613)
C18H13NNa2O8S2

>  <MolWeight> (3,613)
481.40726

>  <Item Name> (3,613)
Sodium Picosulfate

>  <Catalog Number> (3,613)
S4020

>  <Synonyms> (3,613)
Sodium Picosulphate

>  <Target> (3,613)
Others

>  <Form> (3,613)
Sodium Salt

>  <URL> (3,613)
http://www.selleckchem.com/products/sodium-picosulfate.html

>  <CAS Number> (3,613)
10040-45-6

$$$$
Tolcapone.cdx
csChFnd80/10101813242D

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N/A

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Topoisomerase

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Free Base

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http://www.selleckchem.com/products/sn-38.html

>  <CAS Number> (3,619)
86639-52-3

$$$$
JZL184.cdx
csChFnd80/10101813242D

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C27H24N2O9

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JZL184

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S4904

>  <Synonyms> (3,620)
N/A

>  <Target> (3,620)
Lipase

>  <Form> (3,620)
Free Base

>  <URL> (3,620)
http://www.selleckchem.com/products/jzl184.html

>  <CAS Number> (3,620)
1101854-58-3

$$$$
Nabumetone.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,621)
3621

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C15H16O2

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Nabumetone

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S4051

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Arthaxan, Relafen

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COX

>  <Form> (3,621)
Free Base

>  <URL> (3,621)
http://www.selleckchem.com/products/nabumetone.html

>  <CAS Number> (3,621)
42924-53-8

$$$$
sertraline hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,622)
3622

>  <Formula> (3,622)
C17H18Cl3N

>  <MolWeight> (3,622)
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Sertraline HCl

>  <Catalog Number> (3,622)
S4053

>  <Synonyms> (3,622)
N/A

>  <Target> (3,622)
5-HT Receptor

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HCl

>  <URL> (3,622)
http://www.selleckchem.com/products/sertraline-hcl.html

>  <CAS Number> (3,622)
79559-97-0

$$$$
methyclothiazide.cdx
csChFnd80/10101813242D

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>  <Formula> (3,623)
C9H11Cl2N3O4S2

>  <MolWeight> (3,623)
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>  <Item Name> (3,623)
Methyclothiazide

>  <Catalog Number> (3,623)
S4057

>  <Synonyms> (3,623)
N/A

>  <Target> (3,623)
Others

>  <Form> (3,623)
Free Base

>  <URL> (3,623)
http://www.selleckchem.com/products/methyclothiazide.html

>  <CAS Number> (3,623)
135-07-9

$$$$
retapamulin.cdx
csChFnd80/10101813242D

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   11.3561    5.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7397    4.1470    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1927    2.8223    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4497    2.2060    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7744    2.6590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3908    3.9160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9378    5.2407    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6808    5.8570    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8680    2.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1580    1.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6220    0.8916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.7876    4.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6015    6.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2278    7.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1485    8.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1024    6.0148    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
  1  5  1  0  0  0  0
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  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
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 17 18  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 17  1  0  0  0  0
 18 15  1  6  0  0  0
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 21 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 28 29  1  1  0  0  0
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 20 32  1  0  0  0  0
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 37 38  2  0  0  0  0
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M  END
>  <Mol_ID> (3,624)
3624

>  <Formula> (3,624)
C30H47NO4S

>  <MolWeight> (3,624)
517.76348

>  <Item Name> (3,624)
Retapamulin

>  <Catalog Number> (3,624)
S4056

>  <Synonyms> (3,624)
N/A

>  <Target> (3,624)
Antifection

>  <Form> (3,624)
Free Base

>  <URL> (3,624)
http://www.selleckchem.com/products/retapamulin.html

>  <CAS Number> (3,624)
224452-66-8

$$$$
ronidazole.cdx
csChFnd80/10101813242D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4119    6.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    5.0934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7481    6.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4226    8.7170    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2854    4.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1791    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892    2.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5515    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5615    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  1  6  1  0  0  0  0
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 10 11  1  0  0  0  0
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  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,625)
3625

>  <Formula> (3,625)
C6H8N4O4

>  <MolWeight> (3,625)
200.15212

>  <Item Name> (3,625)
Ronidazole

>  <Catalog Number> (3,625)
S4062

>  <Synonyms> (3,625)
N/A

>  <Target> (3,625)
Antifection

>  <Form> (3,625)
Free Base

>  <URL> (3,625)
http://www.selleckchem.com/products/ronidazole.html

>  <CAS Number> (3,625)
7681-76-7

$$$$
ropivacaine hydrochloride.cdx
csChFnd80/10101813242D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,626)
3626

>  <Formula> (3,626)
C17H27ClN2O

>  <MolWeight> (3,626)
310.86208

>  <Item Name> (3,626)
Ropivacaine HCl

>  <Catalog Number> (3,626)
S4058

>  <Synonyms> (3,626)
N/A

>  <Target> (3,626)
Sodium Channel

>  <Form> (3,626)
HCl

>  <URL> (3,626)
http://www.selleckchem.com/products/ropivacaine-hcl.html

>  <CAS Number> (3,626)
98717-15-8

$$$$
Vitamin D3.cdx
csChFnd80/10101813242D

 29 31  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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  3  4  1  0  0  0  0
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  2 29  1  6  0  0  0
M  END
>  <Mol_ID> (3,627)
3627

>  <Formula> (3,627)
C27H44O

>  <MolWeight> (3,627)
384.63766

>  <Item Name> (3,627)
Vitamin D3 (Cholecalciferol)

>  <Catalog Number> (3,627)
S4063

>  <Synonyms> (3,627)
N/A

>  <Target> (3,627)
Vitamin

>  <Form> (3,627)
Free Base

>  <URL> (3,627)
http://www.selleckchem.com/products/vitamin-d3-cholecalciferol.html

>  <CAS Number> (3,627)
67-97-0

$$$$
Nafcillin sodium monohydrate.cdx
csChFnd80/10101813242D

 32 34  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
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 17 12  1  6  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  1  0  0  0
 19 27  1  1  0  0  0
 18 28  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,628)
3628

>  <Formula> (3,628)
C21H23N2NaO6S

>  <MolWeight> (3,628)
454.47189

>  <Item Name> (3,628)
Nafcillin Sodium

>  <Catalog Number> (3,628)
S4042

>  <Synonyms> (3,628)
N/A

>  <Target> (3,628)
Antifection

>  <Form> (3,628)
sodium Salt

>  <URL> (3,628)
http://www.selleckchem.com/products/nafcillin-sodium.html

>  <CAS Number> (3,628)
7177-50-6

$$$$
norethindrone.cdx
csChFnd80/10101813242D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2768    2.8008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2768    4.1994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0626    2.0998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6110    2.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2799    5.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4326    3.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2141    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2799    1.2467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0117    3.2037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    1.7156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    3.0814    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 23  1  6  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
  3 24  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  6  0  0  0
  5 12  1  1  0  0  0
  5 10  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  6  0  0  0
  9 15  1  0  0  0  0
 11 16  3  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  1  0  0  0
 15 17  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 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,629)
3629

>  <Formula> (3,629)
C20H26O2

>  <MolWeight> (3,629)
298.41924

>  <Item Name> (3,629)
Norethindrone (Norethisterone)

>  <Catalog Number> (3,629)
S4040

>  <Synonyms> (3,629)
N/A

>  <Target> (3,629)
Others

>  <Form> (3,629)
Free Base

>  <URL> (3,629)
http://www.selleckchem.com/products/norethindrone-norethisterone.html

>  <CAS Number> (3,629)
68-22-4

$$$$
olsalazine sodium.cdx
csChFnd80/10101813242D

 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
    4.1951    3.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.7879    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    1.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    0.0627    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.4854    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    4.9040    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7879    6.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8830    2.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   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
  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  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
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
 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> (3,630)
3630

>  <Formula> (3,630)
C14H8N2Na2O6

>  <MolWeight> (3,630)
346.20266

>  <Item Name> (3,630)
Olsalazine Sodium

>  <Catalog Number> (3,630)
S4041

>  <Synonyms> (3,630)
N/A

>  <Target> (3,630)
Antifection

>  <Form> (3,630)
Disodium Salt

>  <URL> (3,630)
http://www.selleckchem.com/products/olsalazine-sodium.html

>  <CAS Number> (3,630)
6054-98-4

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/10101813242D

 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
    4.9656    3.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    2.6027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    3.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926    0.0165    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
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  4  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  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  6  1  0  0  0  0
  7 12  2  0  0  0  0
 13 14  2  0  0  0  0
 15  8  2  0  0  0  0
  8  7  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,631)
3631

>  <Formula> (3,631)
C13H17ClN2

>  <MolWeight> (3,631)
236.74048

>  <Item Name> (3,631)
Tetrahydrozoline HCl

>  <Catalog Number> (3,631)
S4043

>  <Synonyms> (3,631)
N/A

>  <Target> (3,631)
Adrenergic Receptor

>  <Form> (3,631)
hydrochloride

>  <URL> (3,631)
http://www.selleckchem.com/products/tetrahydrozoline-hcl.html

>  <CAS Number> (3,631)
522-48-5

$$$$
Toltrazuril.cdx
csChFnd80/10101813242D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   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
   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
    7.2746    2.1000    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
    8.4870    0.0000    0.0000 O   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
    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
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 N   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
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  7  8  2  0  0  0  0
  9  2  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  5 15  1  0  0  0  0
 12 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 20  1  0  0  0  0
 23 26  2  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
 25 29  2  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
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,632)
3632

>  <Formula> (3,632)
C18H14F3N3O4S

>  <MolWeight> (3,632)
425.3816696

>  <Item Name> (3,632)
Toltrazuril

>  <Catalog Number> (3,632)
S4044

>  <Synonyms> (3,632)
N/A

>  <Target> (3,632)
Antifection

>  <Form> (3,632)
Free Base

>  <URL> (3,632)
http://www.selleckchem.com/products/toltrazuril.html

>  <CAS Number> (3,632)
69004-03-1

$$$$
Dibucaine HCL.cdx
csChFnd80/10101813242D

 26 26  0  0  0  0  0  0  0  0999 V2000
    2.4324    5.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6486    4.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    4.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8572    5.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6562    3.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    7.3969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086    7.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    2.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476    2.4905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583    7.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0810    3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4831    7.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5059    3.2232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4983    4.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    2.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9080    7.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7069    5.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9307    3.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3136    0.0000    0.0000 Cl  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
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  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,633)
3633

>  <Formula> (3,633)
C20H30ClN3O2

>  <MolWeight> (3,633)
379.9241

>  <Item Name> (3,633)
Dibucaine (Cinchocaine) HCl

>  <Catalog Number> (3,633)
S4038

>  <Synonyms> (3,633)
N/A

>  <Target> (3,633)
Sodium Channel

>  <Form> (3,633)
hydrochloride

>  <URL> (3,633)
http://www.selleckchem.com/products/dibucaine-cinchocaine-hcl.html

>  <CAS Number> (3,633)
61-12-1

$$$$
Diphemanil methylsulfate.cdx
csChFnd80/10101813242D

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.3913    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9664    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8162    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7540    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0286    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4914    8.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3344    5.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333    7.0137    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3973    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  6  1  0  0  0  0
  2  5  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
 17 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  CFW   0 B_NG_STER 2
M  END
>  <Mol_ID> (3,634)
3634

>  <Formula> (3,634)
C21H27NO4S

>  <MolWeight> (3,634)
389.50838

>  <Item Name> (3,634)
Diphemanil Methylsulfate

>  <Catalog Number> (3,634)
S4034

>  <Synonyms> (3,634)
N/A

>  <Target> (3,634)
AChR

>  <Form> (3,634)
Methylsulfate

>  <URL> (3,634)
http://www.selleckchem.com/products/diphemanil-methylsulfate.html

>  <CAS Number> (3,634)
62-97-5

$$$$
Doxapram HCl.cdx
csChFnd80/10101813242D

 30 31  0  0  0  0  0  0  0  0999 V2000
    8.2658    4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289    5.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5658    2.8126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.4960    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1963    3.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    5.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6533    4.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6313    6.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4577    5.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    5.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6334    4.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1333    1.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    6.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    4.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    5.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    7.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3313    7.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314    6.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7366    5.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3114    7.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3132    0.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    7.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8693    6.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4439    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6313    8.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7230    7.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2312    8.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6226    1.5313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6226    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  7  1  2  0  0  0  0
  4  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
  5  3  1  0  0  0  0
 13  3  1  0  0  0  0
 10  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20  9  2  0  0  0  0
 21  9  1  0  0  0  0
 12 10  1  0  0  0  0
 11 17  1  0  0  0  0
 16 11  1  0  0  0  0
 22 13  1  0  0  0  0
 17 14  1  0  0  0  0
 16 15  1  0  0  0  0
 26 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 28 23  1  0  0  0  0
 27 24  2  0  0  0  0
 27 25  1  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,635)
3635

>  <Formula> (3,635)
C24H33ClN2O3

>  <MolWeight> (3,635)
432.98342

>  <Item Name> (3,635)
Doxapram HCl

>  <Catalog Number> (3,635)
S4037

>  <Synonyms> (3,635)
N/A

>  <Target> (3,635)
Potassium Channel

>  <Form> (3,635)
HCl

>  <URL> (3,635)
http://www.selleckchem.com/products/doxapram-hcl.html

>  <CAS Number> (3,635)
7081-53-0

$$$$
Vitamin D2.cdx
csChFnd80/10101813242D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.8446    8.4123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8446    7.0170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1726    8.8446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6352    9.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    6.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1724    6.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9949    7.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6047   10.1763    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4268    8.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    4.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    7.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9739   10.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6147   11.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    4.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9639    9.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    2.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3162    9.8404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6430    2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    2.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3061    8.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6785   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    2.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7267    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9438    7.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6584    9.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9897    5.6245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9905    9.8047    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 30  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 29  1  6  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  7  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  6  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 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
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
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 20 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  6  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,636)
3636

>  <Formula> (3,636)
C28H44O

>  <MolWeight> (3,636)
396.64836

>  <Item Name> (3,636)
Vitamin D2 (Ergocalciferol)

>  <Catalog Number> (3,636)
S4035

>  <Synonyms> (3,636)
N/A

>  <Target> (3,636)
DNA/RNA Synthesis

>  <Form> (3,636)
Free Base

>  <URL> (3,636)
http://www.selleckchem.com/products/vitamin-d2-ergocalciferol.html

>  <CAS Number> (3,636)
50-14-6

$$$$
Desvenlafaxine succinate.cdx
csChFnd80/10101813242D

 27 27  0  0  0  0  0  0  0  0999 V2000
    6.5655    8.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0796    7.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9736    6.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    6.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8458    8.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9497    9.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8678    8.2850    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1718    6.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8678    9.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592    7.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638   10.3829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638   11.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    9.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422    8.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    7.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    6.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    5.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457    6.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0224    1.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8106    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5989    1.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3871    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1754    1.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3871    3.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2341    2.0988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0224    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  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
 11 13  1  0  0  0  0
 10 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 10  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  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 20 26  1  0  0  0  0
 20 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,637)
3637

>  <Formula> (3,637)
C20H31NO6

>  <MolWeight> (3,637)
381.46324

>  <Item Name> (3,637)
Desvenlafaxine Succinate

>  <Catalog Number> (3,637)
S4112

>  <Synonyms> (3,637)
N/A

>  <Target> (3,637)
5-HT Receptor

>  <Form> (3,637)
Succinate

>  <URL> (3,637)
http://www.selleckchem.com/products/desvenlafaxine-succinate.html

>  <CAS Number> (3,637)
386750-22-7

$$$$
Dicloxacillin sodium.cdx
csChFnd80/10101813242D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4364    5.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    5.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,638)
3638

>  <Formula> (3,638)
C19H18Cl2N3NaO6S

>  <MolWeight> (3,638)
510.32349

>  <Item Name> (3,638)
Dicloxacillin Sodium

>  <Catalog Number> (3,638)
S4111

>  <Synonyms> (3,638)
Diclocil

>  <Target> (3,638)
Antifection

>  <Form> (3,638)
Sodium Salt

>  <URL> (3,638)
http://www.selleckchem.com/products/dicloxacillin-sodium.html

>  <CAS Number> (3,638)
13412-64-1

$$$$
Estradiol benzoate.cdx
csChFnd80/10101813242D

 31 35  0  0  0  0  0  0  0  0999 V2000
    6.0513    4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0498    2.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,639)
3639

>  <Formula> (3,639)
C25H28O3

>  <MolWeight> (3,639)
376.48802

>  <Item Name> (3,639)
Estradiol Benzoate

>  <Catalog Number> (3,639)
S4110

>  <Synonyms> (3,639)
N/A

>  <Target> (3,639)
Estrogen/progestogen Receptor

>  <Form> (3,639)
Free Base

>  <URL> (3,639)
http://www.selleckchem.com/products/estradiol-benzoate.html

>  <CAS Number> (3,639)
50-50-0

$$$$
Aminosalicylate sodium.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.2103    2.0976    0.0000 O   0  5  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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  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,640)
3640

>  <Formula> (3,640)
C7H6NNaO3

>  <MolWeight> (3,640)
175.11721

>  <Item Name> (3,640)
Sodium 4-Aminosalicylate

>  <Catalog Number> (3,640)
S4073

>  <Synonyms> (3,640)
N/A

>  <Target> (3,640)
NF-¦ÊB

>  <Form> (3,640)
Sodium Salt

>  <URL> (3,640)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

>  <CAS Number> (3,640)
133-10-8

$$$$

csChFnd80/10101813242D

 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
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M  END
>  <Mol_ID> (3,641)
3641

>  <Formula> (3,641)
C16H14N2O3S

>  <MolWeight> (3,641)
314.35896

>  <Item Name> (3,641)
Valdecoxib

>  <Catalog Number> (3,641)
S4049

>  <Synonyms> (3,641)
SC-65872, YM-974

>  <Target> (3,641)
COX

>  <Form> (3,641)
Free Base

>  <URL> (3,641)
http://www.selleckchem.com/products/valdecoxib.html

>  <CAS Number> (3,641)
181695-72-7

$$$$
Bisacodyl.cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,642)
3642

>  <Formula> (3,642)
C22H19NO4

>  <MolWeight> (3,642)
361.39056

>  <Item Name> (3,642)
Bisacodyl

>  <Catalog Number> (3,642)
S4047

>  <Synonyms> (3,642)
N/A

>  <Target> (3,642)
Others

>  <Form> (3,642)
Free Base

>  <URL> (3,642)
http://www.selleckchem.com/products/bisacodyl.html

>  <CAS Number> (3,642)
30652-11-0

$$$$
Carbimazole.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.5661    3.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    2.1016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7026    1.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6475    2.5805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9402    3.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0398    2.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9935    0.1676    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    1.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    4.1943    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  2  0  0  0  0
  4  6  1  0  0  0  0
  3  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  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
M  END
>  <Mol_ID> (3,643)
3643

>  <Formula> (3,643)
C7H10N2O2S

>  <MolWeight> (3,643)
186.2315

>  <Item Name> (3,643)
Carbimazole

>  <Catalog Number> (3,643)
S4048

>  <Synonyms> (3,643)
N/A

>  <Target> (3,643)
Others

>  <Form> (3,643)
Free Base

>  <URL> (3,643)
http://www.selleckchem.com/products/carbimazole.html

>  <CAS Number> (3,643)
22232-54-8

$$$$
Decamethonium bromide.cdx
csChFnd80/10101813242D

 20 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.0725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.7725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.7617    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6493    2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4491    2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137    2.9164    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.4259    0.2090    0.0000 Br  0  5  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
  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,644)
3644

>  <Formula> (3,644)
C16H38Br2N2

>  <MolWeight> (3,644)
418.29432

>  <Item Name> (3,644)
Decamethonium Bromide

>  <Catalog Number> (3,644)
S4072

>  <Synonyms> (3,644)
Syncurine

>  <Target> (3,644)
AChR

>  <Form> (3,644)
Bromide

>  <URL> (3,644)
http://www.selleckchem.com/products/decamethonium-bromide.html

>  <CAS Number> (3,644)
541-22-0

$$$$
Estradiol cypionate.cdx
csChFnd80/10101813242D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.2060    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8433    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2682    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2682    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0558    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4226    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0341    5.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0590    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445    1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2686    1.3951    0.0000 H   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
   10.3831    6.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7442    7.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3696    5.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7172    5.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0783    7.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3853    7.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3121    8.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9598    9.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1973    8.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  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
 17 18  1  1  0  0  0
 12 19  1  1  0  0  0
  9 20  1  1  0  0  0
 10 21  1  6  0  0  0
 11 22  1  6  0  0  0
  2 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,645)
3645

>  <Formula> (3,645)
C26H36O3

>  <MolWeight> (3,645)
396.56224

>  <Item Name> (3,645)
Estradiol Cypionate

>  <Catalog Number> (3,645)
S4046

>  <Synonyms> (3,645)
N/A

>  <Target> (3,645)
Estrogen/progestogen Receptor

>  <Form> (3,645)
Free Base

>  <URL> (3,645)
http://www.selleckchem.com/products/estradiol-cypionate.html

>  <CAS Number> (3,645)
313-06-4

$$$$
Griseofulvin.cdx
csChFnd80/10101813242D

 24 26  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
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1485    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6957    1.5827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0957    1.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7957    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0957    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6957    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1485    5.3221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4534    5.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5222    6.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9981    0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1909    2.7951    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
  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  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
  3 19  1  0  0  0  0
  9 20  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  1  0  0  0
 12 24  2  0  0  0  0
  8  9  1  1  0  0  0
  8  7  1  6  0  0  0
M  END
>  <Mol_ID> (3,646)
3646

>  <Formula> (3,646)
C17H17ClO6

>  <MolWeight> (3,646)
352.76628

>  <Item Name> (3,646)
Griseofulvin

>  <Catalog Number> (3,646)
S4071

>  <Synonyms> (3,646)
N/A

>  <Target> (3,646)
Microtubule Associated

>  <Form> (3,646)
Free Base

>  <URL> (3,646)
http://www.selleckchem.com/products/griseofulvin.html

>  <CAS Number> (3,646)
126-07-8

$$$$
Guanidine HCl.cdx
csChFnd80/10101813242D

  5  3  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6677    1.6976    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
  2  4  2  0  0  0  0
M  END
>  <Mol_ID> (3,647)
3647

>  <Formula> (3,647)
CH6ClN3

>  <MolWeight> (3,647)
95.53144

>  <Item Name> (3,647)
Guanidine (Aminoformamidine) HCl

>  <Catalog Number> (3,647)
S4070

>  <Synonyms> (3,647)
N/A

>  <Target> (3,647)
Others

>  <Form> (3,647)
Hydrochloride

>  <URL> (3,647)
http://www.selleckchem.com/products/guanidine-aminoformamidine-hcl.html

>  <CAS Number> (3,647)
50-01-1

$$$$
Mefenamic acid.cdx
csChFnd80/10101813242D

 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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    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
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 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> (3,648)
3648

>  <Formula> (3,648)
C15H15NO2

>  <MolWeight> (3,648)
241.2851

>  <Item Name> (3,648)
Mefenamic Acid

>  <Catalog Number> (3,648)
S4078

>  <Synonyms> (3,648)
N/A

>  <Target> (3,648)
COX

>  <Form> (3,648)
Free Base

>  <URL> (3,648)
http://www.selleckchem.com/products/mefenamic-acid.html

>  <CAS Number> (3,648)
61-68-7

$$$$
Mequinol.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   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
    2.4249    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.6976    0.0000 O   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
  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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  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,649)
3649

>  <Formula> (3,649)
C7H8O2

>  <MolWeight> (3,649)
124.13722

>  <Item Name> (3,649)
Mequinol

>  <Catalog Number> (3,649)
S4077

>  <Synonyms> (3,649)
N/A

>  <Target> (3,649)
Others

>  <Form> (3,649)
Free Base

>  <URL> (3,649)
http://www.selleckchem.com/products/mequinol.html

>  <CAS Number> (3,649)
150-76-5

$$$$
Sodium nitrite.cdx
csChFnd80/10101813242D

  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
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    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> (3,650)
3650

>  <Formula> (3,650)
NNaO2

>  <MolWeight> (3,650)
68.99527

>  <Item Name> (3,650)
Sodium Nitrite

>  <Catalog Number> (3,650)
S4074

>  <Synonyms> (3,650)
N/A

>  <Target> (3,650)
Others

>  <Form> (3,650)
Sodium Salt

>  <URL> (3,650)
http://www.selleckchem.com/products/sodium-nitrite.html

>  <CAS Number> (3,650)
7632-00-0

$$$$
Pirarubicin.cdx
csChFnd80/10101813242D

 47 52  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9035    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1159   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3284   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2808   10.8255    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  1  0  0  0
  1  8  1  6  0  0  0
  3  9  1  6  0  0  0
  2 10  1  6  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
 16 11  1  0  0  0  0
  7 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  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 18 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 19  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 21 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 21 39  1  1  0  0  0
 17 40  1  6  0  0  0
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 30 43  2  0  0  0  0
 27 44  2  0  0  0  0
 31 45  1  0  0  0  0
 45 46  1  0  0  0  0
 11 47  1  1  0  0  0
M  END
>  <Mol_ID> (3,651)
3651

>  <Formula> (3,651)
C32H37NO12

>  <MolWeight> (3,651)
627.63568

>  <Item Name> (3,651)
Pirarubicin

>  <Catalog Number> (3,651)
S1393

>  <Synonyms> (3,651)
N/A

>  <Target> (3,651)
Topoisomerase

>  <Form> (3,651)
Free Base

>  <URL> (3,651)
http://www.selleckchem.com/products/Pirarubicin.html

>  <CAS Number> (3,651)
72496-41-4

$$$$
valganciclovir hydrochloride.cdx
csChFnd80/10101813242D

 26 26  0  0  0  0  0  0  0  0999 V2000
   11.7965    0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7965    2.3905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5841    3.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090    3.0905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3717    2.3905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    4.4905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1592    3.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1592    4.4905    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3717    5.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3717    6.5905    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
  4  5  1  0  0  0  0
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  5  7  1  0  0  0  0
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  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (3,652)
3652

>  <Formula> (3,652)
C14H25ClN6O5

>  <MolWeight> (3,652)
392.8385

>  <Item Name> (3,652)
Valganciclovir Hydrochloride

>  <Catalog Number> (3,652)
S4050

>  <Synonyms> (3,652)
N/A

>  <Target> (3,652)
Antifection

>  <Form> (3,652)
Hydrochloride

>  <URL> (3,652)
http://www.selleckchem.com/products/valganciclovir-hcl.html

>  <CAS Number> (3,652)
175865-59-5

$$$$
Escitalopram oxalate.cdx
csChFnd80/10101813242D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.9597    5.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6597    4.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0597    4.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7229    7.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7350    9.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9432   11.8737    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
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  4 23  1  0  0  0  0
 23 24  3  0  0  0  0
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 26 27  2  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,653)
3653

>  <Formula> (3,653)
C22H23FN2O5

>  <MolWeight> (3,653)
414.4268232

>  <Item Name> (3,653)
Escitalopram Oxalate

>  <Catalog Number> (3,653)
S4064

>  <Synonyms> (3,653)
S-(+)-Citalopram Oxalate

>  <Target> (3,653)
5-HT Receptor

>  <Form> (3,653)
Oxalate

>  <URL> (3,653)
http://www.selleckchem.com/products/escitalopram-oxalate.html

>  <CAS Number> (3,653)
219861-08-2

$$$$
Guanabenz acetate.cdx
csChFnd80/10101813242D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167    6.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    3.5732    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    6.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    5.6780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,654)
3654

>  <Formula> (3,654)
C10H12Cl2N4O2

>  <MolWeight> (3,654)
291.13388

>  <Item Name> (3,654)
Guanabenz (WY-8678) Acetate

>  <Catalog Number> (3,654)
S4065

>  <Synonyms> (3,654)
N/A

>  <Target> (3,654)
Adrenergic Receptor

>  <Form> (3,654)
Acetate

>  <URL> (3,654)
http://www.selleckchem.com/products/guanabenz-wy-8678-acetate.html

>  <CAS Number> (3,654)
23256-50-0

$$$$
tinidazole.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,655)
3655

>  <Formula> (3,655)
C8H13N3O4S

>  <MolWeight> (3,655)
247.27152

>  <Item Name> (3,655)
Tinidazole

>  <Catalog Number> (3,655)
S4068

>  <Synonyms> (3,655)
N/A

>  <Target> (3,655)
Antifection

>  <Form> (3,655)
Free Base

>  <URL> (3,655)
http://www.selleckchem.com/products/tinidazole.html

>  <CAS Number> (3,655)
19387-91-8

$$$$
Ticagrelor.cdx
csChFnd80/10101813242D

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 14  8  2  0  0  0  0
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M  END
>  <Mol_ID> (3,656)
3656

>  <Formula> (3,656)
C23H28F2N6O4S

>  <MolWeight> (3,656)
522.5680264

>  <Item Name> (3,656)
Ticagrelor

>  <Catalog Number> (3,656)
S4079

>  <Synonyms> (3,656)
AZD6140

>  <Target> (3,656)
P2 Receptor

>  <Form> (3,656)
Free Base

>  <URL> (3,656)
http://www.selleckchem.com/products/ticagrelor.html

>  <CAS Number> (3,656)
274693-27-5

$$$$
DYRENIUM (triamterene).cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    0.7000    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  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,657)
3657

>  <Formula> (3,657)
C12H11N7

>  <MolWeight> (3,657)
253.26264

>  <Item Name> (3,657)
Triamterene

>  <Catalog Number> (3,657)
S4080

>  <Synonyms> (3,657)
N/A

>  <Target> (3,657)
Sodium Channel

>  <Form> (3,657)
Free Base

>  <URL> (3,657)
http://www.selleckchem.com/products/triamterene.html

>  <CAS Number> (3,657)
396-01-0

$$$$
Ethambutol Hydrochloride.cdx
csChFnd80/10101813242D

 16 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,658)
3658

>  <Formula> (3,658)
C10H26Cl2N2O2

>  <MolWeight> (3,658)
277.23164

>  <Item Name> (3,658)
Ethambutol HCl

>  <Catalog Number> (3,658)
S4004

>  <Synonyms> (3,658)
N/A

>  <Target> (3,658)
Antifection

>  <Form> (3,658)
Dihydrochloride

>  <URL> (3,658)
http://www.selleckchem.com/products/ethambutol-hcl.html

>  <CAS Number> (3,658)
1070-11-7

$$$$
EQUIPIN (homatropine methylbromide).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,659)
3659

>  <Formula> (3,659)
C17H24BrNO3

>  <MolWeight> (3,659)
370.28136

>  <Item Name> (3,659)
Homatropine Methylbromide

>  <Catalog Number> (3,659)
S4024

>  <Synonyms> (3,659)
N/A

>  <Target> (3,659)
AChR

>  <Form> (3,659)
quaternary-N bromide salt

>  <URL> (3,659)
http://www.selleckchem.com/products/homatropine-methylbromide.html

>  <CAS Number> (3,659)
80-49-9

$$$$
Homatropine bromide.cdx
csChFnd80/10101813242D

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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,660)
3660

>  <Formula> (3,660)
C16H22BrNO3

>  <MolWeight> (3,660)
356.25478

>  <Item Name> (3,660)
Homatropine Bromide

>  <Catalog Number> (3,660)
S4025

>  <Synonyms> (3,660)
N/A

>  <Target> (3,660)
AChR

>  <Form> (3,660)
quaternary-N bromide salt

>  <URL> (3,660)
http://www.selleckchem.com/products/homatropine-bromide.html

>  <CAS Number> (3,660)
51-56-9

$$$$
Hydroxyzine dihydrochloride.cdx
csChFnd80/10101813242D

 28 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,661)
3661

>  <Formula> (3,661)
C21H29Cl3N2O2

>  <MolWeight> (3,661)
447.82616

>  <Item Name> (3,661)
Hydroxyzine 2HCl

>  <Catalog Number> (3,661)
S4026

>  <Synonyms> (3,661)
N/A

>  <Target> (3,661)
Histamine Receptor

>  <Form> (3,661)
dihydrochloride

>  <URL> (3,661)
http://www.selleckchem.com/products/hydroxyzine-2hcl.html

>  <CAS Number> (3,661)
2192-20-3

$$$$
Aclidinium bromide.cdx
csChFnd80/10101813242D

 35 38  0  0  0  0  0  0  0  0999 V2000
    2.7630    6.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 32  2  0  0  0  0
M  END
>  <Mol_ID> (3,662)
3662

>  <Formula> (3,662)
C26H30BrNO4S2

>  <MolWeight> (3,662)
564.5547

>  <Item Name> (3,662)
Aclidinium Bromide

>  <Catalog Number> (3,662)
S4031

>  <Synonyms> (3,662)
N/A

>  <Target> (3,662)
AChR

>  <Form> (3,662)
quaternary-N bromide salt

>  <URL> (3,662)
http://www.selleckchem.com/products/aclidinium-bromide.html

>  <CAS Number> (3,662)
320345-99-1

$$$$
Deoxyarbutin.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,663)
3663

>  <Formula> (3,663)
C11H14O3

>  <MolWeight> (3,663)
194.22706

>  <Item Name> (3,663)
Deoxyarbutin

>  <Catalog Number> (3,663)
S4132

>  <Synonyms> (3,663)
D-arbutin

>  <Target> (3,663)
Tyrosinase

>  <Form> (3,663)
Free Base

>  <URL> (3,663)
https://www.selleckchem.com/products/deoxyarbutin.html

>  <CAS Number> (3,663)
53936-56-4

$$$$
Levodropropizine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,664)
3664

>  <Formula> (3,664)
C13H20N2O2

>  <MolWeight> (3,664)
236.3101

>  <Item Name> (3,664)
Levodropropizine

>  <Catalog Number> (3,664)
S4131

>  <Synonyms> (3,664)
N/A

>  <Target> (3,664)
Histamine Receptor

>  <Form> (3,664)
Free Base

>  <URL> (3,664)
https://www.selleckchem.com/products/levodropropizine.html

>  <CAS Number> (3,664)
99291-25-5

$$$$
Pefloxacin mesylate dihydrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,665)
3665

>  <Formula> (3,665)
C18H28FN3O8S

>  <MolWeight> (3,665)
465.4936232

>  <Item Name> (3,665)
Pefloxacin Mesylate Dihydrate

>  <Catalog Number> (3,665)
S4119

>  <Synonyms> (3,665)
N/A

>  <Target> (3,665)
Topoisomerase

>  <Form> (3,665)
Mesylate

>  <URL> (3,665)
https://www.selleckchem.com/products/pefloxacin-mesylate-dihydrate.html

>  <CAS Number> (3,665)
149676-40-4

$$$$
sodium phenylbutyrate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,666)
3666

>  <Formula> (3,666)
C10H11NaO2

>  <MolWeight> (3,666)
186.18291

>  <Item Name> (3,666)
Sodium Phenylbutyrate

>  <Catalog Number> (3,666)
S4125

>  <Synonyms> (3,666)
N/A

>  <Target> (3,666)
HDAC

>  <Form> (3,666)
Sodium Salt

>  <URL> (3,666)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

>  <CAS Number> (3,666)
1716-12-7

$$$$
Sulconazle Nitrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,667)
3667

>  <Formula> (3,667)
C18H16Cl3N3O3S

>  <MolWeight> (3,667)
460.76194

>  <Item Name> (3,667)
Sulconazole Nitrate

>  <Catalog Number> (3,667)
S4120

>  <Synonyms> (3,667)
N/A

>  <Target> (3,667)
Antifection

>  <Form> (3,667)
Nitrate

>  <URL> (3,667)
https://www.selleckchem.com/products/sulconazole-nitrate.html

>  <CAS Number> (3,667)
82382-23-8

$$$$
Tilmicosin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,668)
3668

>  <Formula> (3,668)
C46H80N2O13

>  <MolWeight> (3,668)
869.133

>  <Item Name> (3,668)
Tilmicosin

>  <Catalog Number> (3,668)
S4122

>  <Synonyms> (3,668)
N/A

>  <Target> (3,668)
Antifection

>  <Form> (3,668)
Free Base

>  <URL> (3,668)
https://www.selleckchem.com/products/tilmicosin.html

>  <CAS Number> (3,668)
108050-54-0

$$$$
Timolol Maleate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,669)
3669

>  <Formula> (3,669)
C17H28N4O7S

>  <MolWeight> (3,669)
432.49182

>  <Item Name> (3,669)
Timolol Maleate

>  <Catalog Number> (3,669)
S4123

>  <Synonyms> (3,669)
N/A

>  <Target> (3,669)
Adrenergic Receptor

>  <Form> (3,669)
Maleate

>  <URL> (3,669)
https://www.selleckchem.com/products/timolol-maleate.html

>  <CAS Number> (3,669)
26921-17-5

$$$$
Tolazoline HCl.cdx
csChFnd80/10101813242D

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3670

>  <Formula> (3,670)
C10H13ClN2

>  <MolWeight> (3,670)
196.67662

>  <Item Name> (3,670)
Tolazoline HCl

>  <Catalog Number> (3,670)
S4124

>  <Synonyms> (3,670)
N/A

>  <Target> (3,670)
Adrenergic Receptor

>  <Form> (3,670)
Hydrochloride

>  <URL> (3,670)
https://www.selleckchem.com/products/tolazoline-hcl.html

>  <CAS Number> (3,670)
59-97-2

$$$$
Troxipide.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,671)
3671

>  <Formula> (3,671)
C15H22N2O4

>  <MolWeight> (3,671)
294.34618

>  <Item Name> (3,671)
Troxipide

>  <Catalog Number> (3,671)
S4128

>  <Synonyms> (3,671)
N/A

>  <Target> (3,671)
Others

>  <Form> (3,671)
Free Base

>  <URL> (3,671)
https://www.selleckchem.com/products/troxipide.html

>  <CAS Number> (3,671)
30751-05-4

$$$$
Ampicillin trihydrate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,672)
3672

>  <Formula> (3,672)
C16H25N3O7S

>  <MolWeight> (3,672)
403.4506

>  <Item Name> (3,672)
Ampicillin Trihydrate

>  <Catalog Number> (3,672)
S4148

>  <Synonyms> (3,672)
N/A

>  <Target> (3,672)
Antifection

>  <Form> (3,672)
Free Base

>  <URL> (3,672)
http://www.selleckchem.com/products/ampicillin-trihydrate.html

>  <CAS Number> (3,672)
7177-48-2 

$$$$
Azithromycin dihydrate.cdx
csChFnd80/10101813242D

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 39 40  1  0  0  0  0
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M  END
>  <Mol_ID> (3,673)
3673

>  <Formula> (3,673)
C38H76N2O14

>  <MolWeight> (3,673)
785.01504

>  <Item Name> (3,673)
Azithromycin Dihydrate

>  <Catalog Number> (3,673)
S4147

>  <Synonyms> (3,673)
N/A

>  <Target> (3,673)
Antifection

>  <Form> (3,673)
Free Base

>  <URL> (3,673)
http://www.selleckchem.com/products/azithromycin-dihydrate.html

>  <CAS Number> (3,673)
117772-70-0

$$$$
Cyclizine 2HCl.cdx
csChFnd80/10101813242D

 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
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    4.8413    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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    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
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  3  4  1  0  0  0  0
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  3  8  1  0  0  0  0
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  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (3,674)
3674

>  <Formula> (3,674)
C18H24Cl2N2

>  <MolWeight> (3,674)
339.30256

>  <Item Name> (3,674)
Cyclizine 2HCl

>  <Catalog Number> (3,674)
S4139

>  <Synonyms> (3,674)
N/A

>  <Target> (3,674)
Histamine Receptor

>  <Form> (3,674)
Hydrochloride

>  <URL> (3,674)
http://www.selleckchem.com/products/cyclizine-2hcl.html

>  <CAS Number> (3,674)
5897-18-7

$$$$
Dinitolmide.cdx
csChFnd80/10101813242D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,675)
3675

>  <Formula> (3,675)
C8H7N3O5

>  <MolWeight> (3,675)
225.15828

>  <Item Name> (3,675)
Dinitolmide (Zoalene)

>  <Catalog Number> (3,675)
S4141

>  <Synonyms> (3,675)
N/A

>  <Target> (3,675)
Antifection

>  <Form> (3,675)
Free Base

>  <URL> (3,675)
http://www.selleckchem.com/products/dinitolmide-zoalene.html

>  <CAS Number> (3,675)
148-01-6

$$$$
1-Hexadecanol.cdx
csChFnd80/10101813242D

 17 16  0  0  0  0  0  0  0  0999 V2000
    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
    0.0000    2.1000    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
    0.0000    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
    1.2124    0.0000    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    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
    8.4870    2.8000    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
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   10.9119    2.8000    0.0000 O   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
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M  END
>  <Mol_ID> (3,676)
3676

>  <Formula> (3,676)
C16H34O

>  <MolWeight> (3,676)
242.44056

>  <Item Name> (3,676)
1-Hexadecanol

>  <Catalog Number> (3,676)
S4173

>  <Target> (3,676)
Others

>  <Form> (3,676)
Free Base

>  <URL> (3,676)
http://www.selleckchem.com/products/1-hexadecanol.html

>  <CAS Number> (3,676)
36653-82-4

$$$$
Amfenac Sodium£¨monohydrate£©.cdx
csChFnd80/10101813242D

 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
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    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
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    1.2090    5.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  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
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 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> (3,677)
3677

>  <Formula> (3,677)
C15H14NNaO4

>  <MolWeight> (3,677)
295.26573

>  <Item Name> (3,677)
Amfenac Sodium (monohydrate)

>  <Catalog Number> (3,677)
S4149

>  <Synonyms> (3,677)
N/A

>  <Target> (3,677)
COX

>  <Form> (3,677)
Free Base

>  <URL> (3,677)
http://www.selleckchem.com/products/amfenac-sodium-monohydrate.html

>  <CAS Number> (3,677)
61618-27-7

$$$$
Benzydamine hydrochloride.cdx
csChFnd80/10101813242D

 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
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    1.2124    8.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    5.9832    2.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,678)
3678

>  <Formula> (3,678)
C19H24ClN3O

>  <MolWeight> (3,678)
345.86636

>  <Item Name> (3,678)
Benzydamine Hydrochloride

>  <Catalog Number> (3,678)
S4165

>  <Synonyms> (3,678)
N/A

>  <Target> (3,678)
Immunology & Inflammation related

>  <Form> (3,678)
Hydrochloride

>  <URL> (3,678)
http://www.selleckchem.com/products/benzydamine-hcl.html

>  <CAS Number> (3,678)
132-69-4

$$$$
Betamipron.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,679)
3679

>  <Formula> (3,679)
C10H11NO3

>  <MolWeight> (3,679)
193.19924

>  <Item Name> (3,679)
Betamipron

>  <Catalog Number> (3,679)
S4191

>  <Synonyms> (3,679)
N/A

>  <Target> (3,679)
Antifection

>  <Form> (3,679)
Free Base

>  <URL> (3,679)
http://www.selleckchem.com/products/betamipron.html

>  <CAS Number> (3,679)
3440-28-6

$$$$
RIMADYL (carprofen).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,680)
3680

>  <Formula> (3,680)
C15H12ClNO2

>  <MolWeight> (3,680)
273.71428

>  <Item Name> (3,680)
Carprofen

>  <Catalog Number> (3,680)
S4136

>  <Synonyms> (3,680)
N/A

>  <Target> (3,680)
COX

>  <Form> (3,680)
Free Base

>  <URL> (3,680)
http://www.selleckchem.com/products/carprofen.html

>  <CAS Number> (3,680)
53716-49-7

$$$$
Cetylpyridinium chloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,681)
3681

>  <Formula> (3,681)
C21H38ClN

>  <MolWeight> (3,681)
339.98612

>  <Item Name> (3,681)
Cetylpyridinium Chloride

>  <Catalog Number> (3,681)
S4172

>  <Synonyms> (3,681)
N/A

>  <Target> (3,681)
Antifection

>  <Form> (3,681)
Chloride

>  <URL> (3,681)
http://www.selleckchem.com/products/cetylpyridinium-chloride.html

>  <CAS Number> (3,681)
123-03-5

$$$$
Chlorpropamide.cdx
csChFnd80/10101813242D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,682)
3682

>  <Formula> (3,682)
C10H13ClN2O3S

>  <MolWeight> (3,682)
276.73982

>  <Item Name> (3,682)
Chlorpropamide

>  <Catalog Number> (3,682)
S4166

>  <Synonyms> (3,682)
N/A

>  <Target> (3,682)
Others

>  <Form> (3,682)
Free Base

>  <URL> (3,682)
http://www.selleckchem.com/products/chlorpropamide.html

>  <CAS Number> (3,682)
94-20-2

$$$$
Chlorquinaldol.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,683)
3683

>  <Formula> (3,683)
C10H7Cl2NO

>  <MolWeight> (3,683)
228.07468

>  <Item Name> (3,683)
Chlorquinaldol

>  <Catalog Number> (3,683)
S4192

>  <Synonyms> (3,683)
N/A

>  <Target> (3,683)
Antifection

>  <Form> (3,683)
Free Base

>  <URL> (3,683)
http://www.selleckchem.com/products/chlorquinaldol.html

>  <CAS Number> (3,683)
72-80-0

$$$$
Chlorzoxazone.cdx
csChFnd80/10101813242D

 11 12  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (3,684)
3684

>  <Formula> (3,684)
C7H4ClNO2

>  <MolWeight> (3,684)
169.56516

>  <Item Name> (3,684)
Chlorzoxazone

>  <Catalog Number> (3,684)
S4155

>  <Synonyms> (3,684)
N/A

>  <Target> (3,684)
P450 (e.g. CYP17)

>  <Form> (3,684)
Free Base

>  <URL> (3,684)
http://www.selleckchem.com/products/chlorzoxazone.html

>  <CAS Number> (3,684)
95-25-0

$$$$
Cinchophen.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    0.7000    1.2124    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
    0.7000    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  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  4 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,685)
3685

>  <Formula> (3,685)
C16H11NO2

>  <MolWeight> (3,685)
249.26404

>  <Item Name> (3,685)
Cinchophen

>  <Catalog Number> (3,685)
S4190

>  <Synonyms> (3,685)
N/A

>  <Target> (3,685)
Others

>  <Form> (3,685)
Free Base

>  <URL> (3,685)
http://www.selleckchem.com/products/cinchophen.html

>  <CAS Number> (3,685)
132-60-5

$$$$
Climbazole.cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.3106    3.6339    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7099    3.6339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    4.8469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6117    2.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5355    2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5240    4.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    4.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    1.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    2.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8687    2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5078    6.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1025    6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993    4.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3825    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6112    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3825    2.1113    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
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,686)
3686

>  <Formula> (3,686)
C15H17ClN2O2

>  <MolWeight> (3,686)
292.76068

>  <Item Name> (3,686)
Climbazole

>  <Catalog Number> (3,686)
S4178

>  <Synonyms> (3,686)
N/A

>  <Target> (3,686)
Antifection

>  <Form> (3,686)
Free Base

>  <URL> (3,686)
http://www.selleckchem.com/products/climbazole.html

>  <CAS Number> (3,686)
38083-17-9

$$$$
Clofazimine.cdx
csChFnd80/10101813242D

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.6445    5.6266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    4.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0424    5.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    8.4052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0424    8.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    8.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6445    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   10.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549   10.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   11.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549   11.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   12.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   14.0181    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
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  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
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  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 13 18  1  0  0  0  0
 14 20  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (3,687)
3687

>  <Formula> (3,687)
C27H22Cl2N4

>  <MolWeight> (3,687)
473.39638

>  <Item Name> (3,687)
Clofazimine

>  <Catalog Number> (3,687)
S4107

>  <Synonyms> (3,687)
N/A

>  <Target> (3,687)
Phospholipase (e.g. PLA)

>  <Form> (3,687)
Free Base

>  <URL> (3,687)
http://www.selleckchem.com/products/clofazimine.html

>  <CAS Number> (3,687)
2030-63-9

$$$$
Clorprenaline HCl.cdx
csChFnd80/10101813242D

 15 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5049    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
    1.2167    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7898    5.6024    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
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  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,688)
3688

>  <Formula> (3,688)
C11H17Cl2NO

>  <MolWeight> (3,688)
250.16478

>  <Item Name> (3,688)
Clorprenaline HCL

>  <Catalog Number> (3,688)
S4135

>  <Synonyms> (3,688)
N/A

>  <Target> (3,688)
Adrenergic Receptor

>  <Form> (3,688)
Hydrochloride

>  <URL> (3,688)
http://www.selleckchem.com/products/clorprenaline-hcl.html

>  <CAS Number> (3,688)
6933-90-0

$$$$
Closantel sodium.cdx
csChFnd80/10101813242D

 31 32  0  0  0  0  0  0  0  0999 V2000
    9.7040    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    6.3073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7040    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4919    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    7.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4919    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    3.5070    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2797    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3470    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    9.1079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5593    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7716    3.5070    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2073    0.0000 I   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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  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
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 10 15  1  0  0  0  0
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 27 30  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (3,689)
3689

>  <Formula> (3,689)
C22H13Cl2I2N2NaO2

>  <MolWeight> (3,689)
685.05553

>  <Item Name> (3,689)
Closantel Sodium

>  <Catalog Number> (3,689)
S4105

>  <Synonyms> (3,689)
N/A

>  <Target> (3,689)
Antifection

>  <Form> (3,689)
Sodium Salt

>  <URL> (3,689)
http://www.selleckchem.com/products/closantel-sodium.html

>  <CAS Number> (3,689)
61438-64-0

$$$$
Coumarin.cdx
csChFnd80/10101813242D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6372    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    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
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  4  5  2  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,690)
3690

>  <Formula> (3,690)
C9H6O2

>  <MolWeight> (3,690)
146.14274

>  <Item Name> (3,690)
Coumarin

>  <Catalog Number> (3,690)
S4170

>  <Synonyms> (3,690)
N/A

>  <Target> (3,690)
PARP

>  <Form> (3,690)
Free Base

>  <URL> (3,690)
http://www.selleckchem.com/products/coumarin.html

>  <CAS Number> (3,690)
91-64-5

$$$$
Cyclandelate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,691)
3691

>  <Formula> (3,691)
C17H24O3

>  <MolWeight> (3,691)
276.37066

>  <Item Name> (3,691)
Cyclandelate

>  <Catalog Number> (3,691)
S4189

>  <Target> (3,691)
Others

>  <Form> (3,691)
Free Base

>  <URL> (3,691)
http://www.selleckchem.com/products/cyclandelate.html

>  <CAS Number> (3,691)
456-59-7

$$$$
Cyromazine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,692)
3692

>  <Formula> (3,692)
C6H10N6

>  <MolWeight> (3,692)
166.1838

>  <Item Name> (3,692)
Cyromazine

>  <Catalog Number> (3,692)
S4167

>  <Synonyms> (3,692)
N/A

>  <Target> (3,692)
Antifection

>  <Form> (3,692)
Free base

>  <URL> (3,692)
http://www.selleckchem.com/products/cyromazine.html

>  <CAS Number> (3,692)
66215-27-8

$$$$
Dexlansoprazole.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,693)
3693

>  <Formula> (3,693)
C16H14F3N3O2S

>  <MolWeight> (3,693)
369.3614696

>  <Item Name> (3,693)
Dexlansoprazole

>  <Catalog Number> (3,693)
S4099

>  <Synonyms> (3,693)
N/A

>  <Target> (3,693)
Proton Pump

>  <Form> (3,693)
Free Base

>  <URL> (3,693)
http://www.selleckchem.com/products/dexlansoprazole.html

>  <CAS Number> (3,693)
138530-94-6

$$$$
Doxofylline.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,694)
3694

>  <Formula> (3,694)
C11H14N4O4

>  <MolWeight> (3,694)
266.25326

>  <Item Name> (3,694)
Doxofylline

>  <Catalog Number> (3,694)
S4164

>  <Synonyms> (3,694)
N/A

>  <Target> (3,694)
PDE

>  <Form> (3,694)
Free Base

>  <URL> (3,694)
http://www.selleckchem.com/products/doxofylline.html

>  <CAS Number> (3,694)
69975-86-6

$$$$
Dropropizine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,695)
3695

>  <Formula> (3,695)
C13H20N2O2

>  <MolWeight> (3,695)
236.3101

>  <Item Name> (3,695)
Dropropizine

>  <Catalog Number> (3,695)
S4138

>  <Synonyms> (3,695)
N/A

>  <Target> (3,695)
Others

>  <Form> (3,695)
Free Base

>  <URL> (3,695)
http://www.selleckchem.com/products/dropropizine.html

>  <CAS Number> (3,695)
17692-31-8

$$$$
Ethamsylate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,696)
3696

>  <Formula> (3,696)
C10H17NO5S

>  <MolWeight> (3,696)
263.31068

>  <Item Name> (3,696)
Ethamsylate

>  <Catalog Number> (3,696)
S4152

>  <Synonyms> (3,696)
N/A

>  <Target> (3,696)
Immunology & Inflammation related

>  <Form> (3,696)
Diethylamine

>  <URL> (3,696)
http://www.selleckchem.com/products/ethamsylate.html

>  <CAS Number> (3,696)
2624-44-4

$$$$
isovaleramide.cdx
csChFnd80/10101813242D

  7  6  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,697)
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>  <Formula> (3,697)
C5H11NO

>  <MolWeight> (3,697)
101.14694

>  <Item Name> (3,697)
Isovaleramide

>  <Catalog Number> (3,697)
S4116

>  <Synonyms> (3,697)
N/A

>  <Target> (3,697)
Dehydrogenase

>  <Form> (3,697)
Free Base

>  <URL> (3,697)
http://www.selleckchem.com/products/isovaleramide.html

>  <CAS Number> (3,697)
541-46-8

$$$$
Mezlocillin sodium.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,698)
3698

>  <Formula> (3,698)
C21H24N5NaO8S2

>  <MolWeight> (3,698)
561.56373

>  <Item Name> (3,698)
Mezlocillin Sodium

>  <Catalog Number> (3,698)
S4179

>  <Synonyms> (3,698)
N/A

>  <Target> (3,698)
Antifection

>  <Form> (3,698)
Sodium Salt

>  <URL> (3,698)
http://www.selleckchem.com/products/mezlocillin-sodium.html

>  <CAS Number> (3,698)
42057-22-7

$$$$
nifuroxazide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,699)
3699

>  <Formula> (3,699)
C12H9N3O5

>  <MolWeight> (3,699)
275.21696

>  <Item Name> (3,699)
Nifuroxazide

>  <Catalog Number> (3,699)
S4182

>  <Synonyms> (3,699)
N/A

>  <Target> (3,699)
STAT

>  <Form> (3,699)
Free Base

>  <URL> (3,699)
http://www.selleckchem.com/products/nifuroxazide.html

>  <CAS Number> (3,699)
965-52-6

$$$$
Penciclovir.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,700)
3700

>  <Formula> (3,700)
C10H15N5O3

>  <MolWeight> (3,700)
253.2578

>  <Item Name> (3,700)
Penciclovir

>  <Catalog Number> (3,700)
S4184

>  <Synonyms> (3,700)
N/A

>  <Target> (3,700)
Antifection

>  <Form> (3,700)
Free Base

>  <URL> (3,700)
http://www.selleckchem.com/products/penciclovir.html

>  <CAS Number> (3,700)
39809-25-1

$$$$
penfluridol.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,701)
3701

>  <Formula> (3,701)
C28H27ClF5NO

>  <MolWeight> (3,701)
523.965096

>  <Item Name> (3,701)
Penfluridol

>  <Catalog Number> (3,701)
S4151

>  <Synonyms> (3,701)
TLP-607

>  <Target> (3,701)
Dopamine Receptor

>  <Form> (3,701)
Free Base

>  <URL> (3,701)
http://www.selleckchem.com/products/penfluridol.html

>  <CAS Number> (3,701)
26864-56-2

$$$$
Salicylanilide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,702)
3702

>  <Formula> (3,702)
C13H11NO2

>  <MolWeight> (3,702)
213.23194

>  <Item Name> (3,702)
Salicylanilide

>  <Catalog Number> (3,702)
S4187

>  <Synonyms> (3,702)
N/A

>  <Target> (3,702)
Reverse Transcriptase

>  <Form> (3,702)
Free Base

>  <URL> (3,702)
http://www.selleckchem.com/products/salicylanilide.html

>  <CAS Number> (3,702)
87-17-2

$$$$
Sasapyrine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,703)
3703

>  <Formula> (3,703)
C14H10O5

>  <MolWeight> (3,703)
258.2262

>  <Item Name> (3,703)
Sasapyrine

>  <Catalog Number> (3,703)
S4188

>  <Synonyms> (3,703)
N/A

>  <Target> (3,703)
COX

>  <Form> (3,703)
Free Base

>  <URL> (3,703)
http://www.selleckchem.com/products/sasapyrine.html

>  <CAS Number> (3,703)
552-94-3

$$$$
Sulfaguanidine.cdx
csChFnd80/10101813242D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.4000    4.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1896    3.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,704)
3704

>  <Formula> (3,704)
C7H10N4O2S

>  <MolWeight> (3,704)
214.2449

>  <Item Name> (3,704)
Sulfaguanidine

>  <Catalog Number> (3,704)
S4175

>  <Synonyms> (3,704)
N/A

>  <Target> (3,704)
Antifection

>  <Form> (3,704)
Free Base

>  <URL> (3,704)
http://www.selleckchem.com/products/sulfaguanidine.html

>  <CAS Number> (3,704)
57-67-0

$$$$
tiratricol.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,705)
3705

>  <Formula> (3,705)
C14H9I3O4

>  <MolWeight> (3,705)
621.93227

>  <Item Name> (3,705)
Tiratricol

>  <Catalog Number> (3,705)
S4185

>  <Synonyms> (3,705)
N/A

>  <Target> (3,705)
Others

>  <Form> (3,705)
Free Base

>  <URL> (3,705)
http://www.selleckchem.com/products/tiratricol.html

>  <CAS Number> (3,705)
51-24-1

$$$$
triclabendazole.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,706)
3706

>  <Formula> (3,706)
C14H9Cl3N2OS

>  <MolWeight> (3,706)
359.65806

>  <Item Name> (3,706)
Triclabendazole

>  <Catalog Number> (3,706)
S4114

>  <Synonyms> (3,706)
N/A

>  <Target> (3,706)
Microtubule Associated

>  <Form> (3,706)
Free Base

>  <URL> (3,706)
http://www.selleckchem.com/products/triclabendazole.html

>  <CAS Number> (3,706)
68786-66-3

$$$$
Trometamol.cdx
csChFnd80/10101813242D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,707)
3707

>  <Formula> (3,707)
C4H11NO3

>  <MolWeight> (3,707)
121.13504

>  <Item Name> (3,707)
Trometamol

>  <Catalog Number> (3,707)
S4176

>  <Synonyms> (3,707)
N/A

>  <Target> (3,707)
COX

>  <Form> (3,707)
Free Base

>  <URL> (3,707)
http://www.selleckchem.com/products/trometamol.html

>  <CAS Number> (3,707)
77-86-1

$$$$
Uracil.cdx
csChFnd80/10101813242D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,708)
3708

>  <Formula> (3,708)
C4H4N2O2

>  <MolWeight> (3,708)
112.08676

>  <Item Name> (3,708)
Uracil

>  <Catalog Number> (3,708)
S4177

>  <Synonyms> (3,708)
N/A

>  <Target> (3,708)
Others

>  <Form> (3,708)
Free Base

>  <URL> (3,708)
http://www.selleckchem.com/products/uracil.html

>  <CAS Number> (3,708)
66-22-8

$$$$
Primaquine diphosphate.cdx
csChFnd80/10101813242D

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N/A

>  <Target> (3,709)
Antifection

>  <Form> (3,709)
Diphosphate

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http://www.selleckchem.com/products/primaquine-diphosphate.html

>  <CAS Number> (3,709)
63-45-6

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/10101813242D

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>  <Target> (3,710)
HDAC

>  <Form> (3,710)
Free Base

>  <URL> (3,710)
http://www.selleckchem.com/products/resminostat-ras2410.html

>  <CAS Number> (3,710)
864814-88-0

$$$$
Aminothiazole.cdx
csChFnd80/10101813242D

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Aminothiazole

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N/A

>  <Target> (3,711)
Antifection

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Free Base

>  <URL> (3,711)
http://www.selleckchem.com/products/aminothiazole.html

>  <CAS Number> (3,711)
96-50-4

$$$$
Azaguanine-8.cdx
csChFnd80/10101813242D

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C4H4N6O

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http://www.selleckchem.com/products/azaguanine-8.html

>  <CAS Number> (3,712)
134-58-7

$$$$
Bemegride.cdx
csChFnd80/10101813242D

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Bemegride

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GABA Receptor

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Free Base

>  <URL> (3,713)
http://www.selleckchem.com/products/bemegride.html

>  <CAS Number> (3,713)
64-65-3

$$$$
Bergapten.cdx
csChFnd80/10101813242D

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>  <Formula> (3,714)
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Bergapten

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>  <Synonyms> (3,714)
N/A

>  <Target> (3,714)
DNA/RNA Synthesis

>  <Form> (3,714)
Free Base

>  <URL> (3,714)
http://www.selleckchem.com/products/bergapten.html

>  <CAS Number> (3,714)
484-20-8

$$$$
Broxyquinoline.cdx
csChFnd80/10101813242D

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>  <Formula> (3,715)
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>  <Item Name> (3,715)
Broxyquinoline

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S4195

>  <Synonyms> (3,715)
N/A

>  <Target> (3,715)
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>  <Form> (3,715)
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>  <URL> (3,715)
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>  <CAS Number> (3,715)
521-74-4

$$$$
Cepharanthine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,716)
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C37H38N2O6

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Cepharanthine

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N/A

>  <Target> (3,716)
TNF-alpha

>  <Form> (3,716)
Free Base

>  <URL> (3,716)
http://www.selleckchem.com/products/cepharanthine.html

>  <CAS Number> (3,716)
481-49-2

$$$$
Deoxycorticosterone acetate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,717)
3717

>  <Formula> (3,717)
C23H32O4

>  <MolWeight> (3,717)
372.49778

>  <Item Name> (3,717)
Deoxycorticosterone acetate

>  <Catalog Number> (3,717)
S4243

>  <Synonyms> (3,717)
N/A

>  <Target> (3,717)
Adrenergic Receptor

>  <Form> (3,717)
Free Base

>  <URL> (3,717)
http://www.selleckchem.com/products/deoxycorticosterone-acetate.html

>  <CAS Number> (3,717)
56-47-3

$$$$
dirithromycin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,718)
3718

>  <Formula> (3,718)
C42H78N2O14

>  <MolWeight> (3,718)
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>  <Item Name> (3,718)
Dirithromycin

>  <Catalog Number> (3,718)
S4213

>  <Synonyms> (3,718)
N/A

>  <Target> (3,718)
Antifection

>  <Form> (3,718)
Free Base

>  <URL> (3,718)
http://www.selleckchem.com/products/dirithromycin.html

>  <CAS Number> (3,718)
62013-04-1

$$$$
domiphen bromide.cdx
csChFnd80/10101813242D

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 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,719)
3719

>  <Formula> (3,719)
C22H40BrNO

>  <MolWeight> (3,719)
414.4631

>  <Item Name> (3,719)
Domiphen Bromide

>  <Catalog Number> (3,719)
S4186

>  <Synonyms> (3,719)
N/A

>  <Target> (3,719)
Others

>  <Form> (3,719)
Free Base

>  <URL> (3,719)
http://www.selleckchem.com/products/domiphen-bromide.html

>  <CAS Number> (3,719)
538-71-6

$$$$
Doxylamine succinate.cdx
csChFnd80/10101813242D

 28 28  0  0  0  0  0  0  0  0999 V2000
    0.8384   10.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,720)
3720

>  <Formula> (3,720)
C21H28N2O5

>  <MolWeight> (3,720)
388.45742

>  <Item Name> (3,720)
Doxylamine Succinate

>  <Catalog Number> (3,720)
S4240

>  <Synonyms> (3,720)
N/A

>  <Target> (3,720)
Histamine Receptor

>  <Form> (3,720)
Succinate

>  <URL> (3,720)
http://www.selleckchem.com/products/doxylamine-succinate.html

>  <CAS Number> (3,720)
562-10-7

$$$$
Ethacridine lactate monohydrate.cdx
csChFnd80/10101813242D

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.2082   12.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   11.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331   12.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (3,721)
3721

>  <Formula> (3,721)
C18H23N3O5

>  <MolWeight> (3,721)
361.39232

>  <Item Name> (3,721)
Ethacridine lactate monohydrate

>  <Catalog Number> (3,721)
S4196

>  <Synonyms> (3,721)
N/A

>  <Target> (3,721)
Antifection

>  <Form> (3,721)
Lactate

>  <URL> (3,721)
http://www.selleckchem.com/products/ethacridine-lactate-monohydrate.html

>  <CAS Number> (3,721)
6402-23-9

$$$$
Florfenicol.cdx
csChFnd80/10101813242D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5049    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
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    6.0706    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  4  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
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  9 16  1  1  0  0  0
  8 18  1  6  0  0  0
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  7 20  2  0  0  0  0
  7 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,722)
3722

>  <Formula> (3,722)
C12H14Cl2FNO4S

>  <MolWeight> (3,722)
358.2132632

>  <Item Name> (3,722)
Florfenicol

>  <Catalog Number> (3,722)
S4201

>  <Synonyms> (3,722)
N/A

>  <Target> (3,722)
Antifection

>  <Form> (3,722)
Free Base

>  <URL> (3,722)
http://www.selleckchem.com/products/florfenicol.html

>  <CAS Number> (3,722)
73231-34-2

$$$$
Furaltadone HCl.cdx
csChFnd80/10101813242D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1506    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
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  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 11  1  0  0  0  0
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 12  8  1  0  0  0  0
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 15 16  1  0  0  0  0
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 20 16  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,723)
3723

>  <Formula> (3,723)
C13H17ClN4O6

>  <MolWeight> (3,723)
360.75028

>  <Item Name> (3,723)
Furaltadone HCl

>  <Catalog Number> (3,723)
S4203

>  <Synonyms> (3,723)
N/A

>  <Target> (3,723)
Antifection

>  <Form> (3,723)
Hydrochloride

>  <URL> (3,723)
http://www.selleckchem.com/products/furaltadone-hcl.html

>  <CAS Number> (3,723)
3759-92-0

$$$$
Nicardipine hydrochloride.cdx
csChFnd80/10101813242D

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 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (3,724)
3724

>  <Formula> (3,724)
C26H30ClN3O6

>  <MolWeight> (3,724)
515.9859

>  <Item Name> (3,724)
Nicardipine HCl

>  <Catalog Number> (3,724)
S4181

>  <Synonyms> (3,724)
N/A

>  <Target> (3,724)
Calcium Channel

>  <Form> (3,724)
Hydrochloride

>  <URL> (3,724)
http://www.selleckchem.com/products/nicardipine-hcl.html

>  <CAS Number> (3,724)
54527-84-3

$$$$
Phenazopyridine hydrochloride.cdx
csChFnd80/10101813242D

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    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.1000    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
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M  END
>  <Mol_ID> (3,725)
3725

>  <Formula> (3,725)
C11H12ClN5

>  <MolWeight> (3,725)
249.69948

>  <Item Name> (3,725)
Phenazopyridine HCl

>  <Catalog Number> (3,725)
S4235

>  <Synonyms> (3,725)
N/A

>  <Target> (3,725)
Sodium Channel

>  <Form> (3,725)
Hydrochloride

>  <URL> (3,725)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (3,725)
136-40-3

$$$$
Serotonin hydrochloride.cdx
csChFnd80/10101813242D

 14 14  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
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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7604    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6939    3.1128    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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M  END
>  <Mol_ID> (3,726)
3726

>  <Formula> (3,726)
C10H13ClN2O

>  <MolWeight> (3,726)
212.67602

>  <Item Name> (3,726)
Serotonin HCl

>  <Catalog Number> (3,726)
S4244

>  <Synonyms> (3,726)
N/A

>  <Target> (3,726)
5-HT Receptor

>  <Form> (3,726)
Hydrochloride

>  <URL> (3,726)
http://www.selleckchem.com/products/serotonin-hcl.html

>  <CAS Number> (3,726)
153-98-0

$$$$
sucralose.cdx
csChFnd80/10101813242D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  6  0  0  0
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  3 20  1  6  0  0  0
 13 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,727)
3727

>  <Formula> (3,727)
C12H19Cl3O8

>  <MolWeight> (3,727)
397.63346

>  <Item Name> (3,727)
Sucralose

>  <Catalog Number> (3,727)
S4214

>  <Synonyms> (3,727)
N/A

>  <Target> (3,727)
Others

>  <Form> (3,727)
Free Base

>  <URL> (3,727)
http://www.selleckchem.com/products/sucralose.html

>  <CAS Number> (3,727)
56038-13-2

$$$$
teriflunomide.cdx
csChFnd80/10101813242D

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   10.9204    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <Mol_ID> (3,728)
3728

>  <Formula> (3,728)
C12H9F3N2O2

>  <MolWeight> (3,728)
270.2072696

>  <Item Name> (3,728)
Teriflunomide

>  <Catalog Number> (3,728)
S4169

>  <Synonyms> (3,728)
N/A

>  <Target> (3,728)
Dehydrogenase,Immunology & Inflammation

>  <Form> (3,728)
Free Base

>  <URL> (3,728)
http://www.selleckchem.com/products/teriflunomide.html

>  <CAS Number> (3,728)
108605-62-5

$$$$
Valnemulin HCl.cdx
csChFnd80/10101813242D

 41 42  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8258    1.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,729)
3729

>  <Formula> (3,729)
C31H53ClN2O5S

>  <MolWeight> (3,729)
601.28092

>  <Item Name> (3,729)
Valnemulin HCl

>  <Catalog Number> (3,729)
S4216

>  <Synonyms> (3,729)
N/A

>  <Target> (3,729)
Antifection

>  <Form> (3,729)
Hydrochloride

>  <URL> (3,729)
http://www.selleckchem.com/products/valnemulin-hcl.html

>  <CAS Number> (3,729)
133868-46-9

$$$$
b-AP15.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,730)
3730

>  <Formula> (3,730)
C22H17N3O6

>  <MolWeight> (3,730)
419.38688

>  <Item Name> (3,730)
b-AP15

>  <Catalog Number> (3,730)
S4920

>  <Synonyms> (3,730)
N/A

>  <Target> (3,730)
DUB

>  <Form> (3,730)
Free Base

>  <URL> (3,730)
http://www.selleckchem.com/products/b-ap15.html

>  <CAS Number> (3,730)
1009817-63-3

$$$$
cetrimonium bromide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,731)
3731

>  <Formula> (3,731)
C19H42BrN

>  <MolWeight> (3,731)
364.44748

>  <Item Name> (3,731)
Cetrimonium Bromide

>  <Catalog Number> (3,731)
S4242

>  <Synonyms> (3,731)
N/A

>  <Target> (3,731)
Antifection

>  <Form> (3,731)
Free Base

>  <URL> (3,731)
http://www.selleckchem.com/products/cetrimonium-bromide.html

>  <CAS Number> (3,731)
57-09-0

$$$$
Difluprednate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,732)
3732

>  <Formula> (3,732)
C27H34F2O7

>  <MolWeight> (3,732)
508.5514664

>  <Item Name> (3,732)
Difluprednate

>  <Catalog Number> (3,732)
S4095

>  <Synonyms> (3,732)
N/A

>  <Target> (3,732)
Others

>  <Form> (3,732)
Free Base

>  <URL> (3,732)
http://www.selleckchem.com/products/difluprednate.html

>  <CAS Number> (3,732)
23674-86-4

$$$$
Diminazene aceturate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,733)
3733

>  <Formula> (3,733)
C22H29N9O6

>  <MolWeight> (3,733)
515.52236

>  <Item Name> (3,733)
Diminazene Aceturate

>  <Catalog Number> (3,733)
S4104

>  <Synonyms> (3,733)
N/A

>  <Target> (3,733)
Others

>  <Form> (3,733)
Aceturate

>  <URL> (3,733)
http://www.selleckchem.com/products/diminazene-aceturate.html

>  <CAS Number> (3,733)
908-54-3

$$$$
Droperidol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,734)
3734

>  <Formula> (3,734)
C22H22FN3O2

>  <MolWeight> (3,734)
379.4273832

>  <Item Name> (3,734)
Droperidol

>  <Catalog Number> (3,734)
S4096

>  <Synonyms> (3,734)
N/A

>  <Target> (3,734)
Dopamine Receptor

>  <Form> (3,734)
Free Base

>  <URL> (3,734)
http://www.selleckchem.com/products/droperidol.html

>  <CAS Number> (3,734)
548-73-2

$$$$
Eprosartan mesylate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,735)
3735

>  <Formula> (3,735)
C24H28N2O7S2

>  <MolWeight> (3,735)
520.61832

>  <Item Name> (3,735)
Eprosartan Mesylate

>  <Catalog Number> (3,735)
S4102

>  <Synonyms> (3,735)
N/A

>  <Target> (3,735)
RAAS

>  <Form> (3,735)
Mesylate

>  <URL> (3,735)
http://www.selleckchem.com/products/eprosartan-mesylate.html

>  <CAS Number> (3,735)
144143-96-4 

$$$$
Esmolol hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,736)
3736

>  <Formula> (3,736)
C16H26ClNO4

>  <MolWeight> (3,736)
331.83494

>  <Item Name> (3,736)
Esmolol HCl

>  <Catalog Number> (3,736)
S4100

>  <Synonyms> (3,736)
N/A

>  <Target> (3,736)
Adrenergic Receptor

>  <Form> (3,736)
Hydrochloride

>  <URL> (3,736)
http://www.selleckchem.com/products/esmolol-hcl.html

>  <CAS Number> (3,736)
81161-17-3, 81147-92-4(free base)

$$$$
Fenspiride hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,737)
3737

>  <Formula> (3,737)
C15H21ClN2O2

>  <MolWeight> (3,737)
296.79244

>  <Item Name> (3,737)
Fenspiride HCl 
Fenspiride HCl

>  <Catalog Number> (3,737)
S4090

>  <Synonyms> (3,737)
N/A

>  <Target> (3,737)
Phospholipase (e.g. PLA)

>  <Form> (3,737)
Hydrochloride

>  <URL> (3,737)
http://www.selleckchem.com/products/Fenspiride-hcl.html

>  <CAS Number> (3,737)
5053-08-7, 5053-06-5(free base)

$$$$
flumethasone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,738)
3738

>  <Formula> (3,738)
C22H28F2O5

>  <MolWeight> (3,738)
410.4515264

>  <Item Name> (3,738)
Flumethasone

>  <Catalog Number> (3,738)
S4088

>  <Synonyms> (3,738)
N/A

>  <Target> (3,738)
Glucocorticoid Receptor

>  <Form> (3,738)
Free Base

>  <URL> (3,738)
http://www.selleckchem.com/products/flumethasone.html

>  <CAS Number> (3,738)
2135-17-3

$$$$
Halcinonide.cdx
csChFnd80/10101813242D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,739)
3739

>  <Formula> (3,739)
C24H32ClFO5

>  <MolWeight> (3,739)
454.9592832

>  <Item Name> (3,739)
Halcinonide

>  <Catalog Number> (3,739)
S4098

>  <Synonyms> (3,739)
N/A

>  <Target> (3,739)
Immunology & Inflammation related

>  <Form> (3,739)
Free Base

>  <URL> (3,739)
http://www.selleckchem.com/products/halcinonide.html

>  <CAS Number> (3,739)
3093-35-4

$$$$
halobetasol propionate .cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,740)
3740

>  <Formula> (3,740)
C25H31ClF2O5

>  <MolWeight> (3,740)
484.9604464

>  <Item Name> (3,740)
Halobetasol Propionate

>  <Catalog Number> (3,740)
S4089

>  <Synonyms> (3,740)
N/A

>  <Target> (3,740)
Phospholipase (e.g. PLA)

>  <Form> (3,740)
Free Base

>  <URL> (3,740)
http://www.selleckchem.com/products/halobetasol-propionate.html

>  <CAS Number> (3,740)
66852-54-8

$$$$
ifenprodil tartrate.cdx
csChFnd80/10101813242D

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,741)
3741

>  <Formula> (3,741)
C46H60N2O10

>  <MolWeight> (3,741)
800.976

>  <Item Name> (3,741)
Ifenprodil Tartrate

>  <Catalog Number> (3,741)
S4091

>  <Synonyms> (3,741)
N/A

>  <Target> (3,741)
NMDAR

>  <Form> (3,741)
Tartrate

>  <URL> (3,741)
http://www.selleckchem.com/products/ifenprodil-tartrate.html

>  <CAS Number> (3,741)
23210-58-4

$$$$
levobetaxolol hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,742)
3742

>  <Formula> (3,742)
C18H30ClNO3

>  <MolWeight> (3,742)
343.8887

>  <Item Name> (3,742)
Levobetaxolol HCl

>  <Catalog Number> (3,742)
S4085

>  <Synonyms> (3,742)
N/A

>  <Target> (3,742)
Adrenergic Receptor

>  <Form> (3,742)
Hydrochloride

>  <URL> (3,742)
http://www.selleckchem.com/products/levobetaxolol-hcl.html

>  <CAS Number> (3,742)
116209-55-3, 93221-48-8(free base)

$$$$
lomerizine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,743)
3743

>  <Formula> (3,743)
C27H32Cl2F2N2O3

>  <MolWeight> (3,743)
541.4573864

>  <Item Name> (3,743)
Lomerizine 2HCl

>  <Catalog Number> (3,743)
S4084

>  <Synonyms> (3,743)
N/A

>  <Target> (3,743)
Calcium Channel

>  <Form> (3,743)
Dihydrochloride

>  <URL> (3,743)
http://www.selleckchem.com/products/lomerizine-hcl.html

>  <CAS Number> (3,743)
101477-54-7, 101477-55-8(free base)

$$$$
loxapine succinate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,744)
3744

>  <Formula> (3,744)
C22H24ClN3O5

>  <MolWeight> (3,744)
445.89606

>  <Item Name> (3,744)
Loxapine Succinate

>  <Catalog Number> (3,744)
S4086

>  <Synonyms> (3,744)
N/A

>  <Target> (3,744)
5-HT Receptor,Dopamine Receptor

>  <Form> (3,744)
Succinate

>  <URL> (3,744)
http://www.selleckchem.com/products/loxapine-succinate.html

>  <CAS Number> (3,744)
27833-64-3

$$$$
MDBN.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,745)
3745

>  <Formula> (3,745)
C9H7NO4

>  <MolWeight> (3,745)
193.15618

>  <Item Name> (3,745)
MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

>  <Catalog Number> (3,745)
S4921

>  <Synonyms> (3,745)
N/A

>  <Target> (3,745)
Tyrosinase,p97,Syk,Src

>  <Form> (3,745)
Free Base

>  <URL> (3,745)
http://www.selleckchem.com/products/mdbn.html

>  <CAS Number> (3,745)
1485-00-3

$$$$
Pramoxine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,746)
3746

>  <Formula> (3,746)
C17H28ClNO3

>  <MolWeight> (3,746)
329.86212

>  <Item Name> (3,746)
Pramoxine HCl

>  <Catalog Number> (3,746)
S4092

>  <Synonyms> (3,746)
N/A

>  <Target> (3,746)
Others

>  <Form> (3,746)
Hydrochloride

>  <URL> (3,746)
http://www.selleckchem.com/products/pramoxine-hcl.html

>  <CAS Number> (3,746)
637-58-1

$$$$
Vitamin A acetate.cdx
csChFnd80/10101813242D

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    2.1308    0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6663    4.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8756    2.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,747)
3747

>  <Formula> (3,747)
C22H32O2

>  <MolWeight> (3,747)
328.48828

>  <Item Name> (3,747)
Vitamin A Acetate

>  <Catalog Number> (3,747)
S4083

>  <Synonyms> (3,747)
N/A

>  <Target> (3,747)
Others

>  <Form> (3,747)
Free Base

>  <URL> (3,747)
http://www.selleckchem.com/products/vitamin-a-acetate.html

>  <CAS Number> (3,747)
127-47-9

$$$$
Voglibose.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,748)
3748

>  <Formula> (3,748)
C10H21NO7

>  <MolWeight> (3,748)
267.27624

>  <Item Name> (3,748)
Voglibose

>  <Catalog Number> (3,748)
S4101

>  <Synonyms> (3,748)
N/A

>  <Target> (3,748)
Others

>  <Form> (3,748)
Free Base

>  <URL> (3,748)
http://www.selleckchem.com/products/voglibose.html

>  <CAS Number> (3,748)
83480-29-9

$$$$
Azaperone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,749)
3749

>  <Formula> (3,749)
C19H22FN3O

>  <MolWeight> (3,749)
327.3958832

>  <Item Name> (3,749)
Azaperone

>  <Catalog Number> (3,749)
S4219

>  <Synonyms> (3,749)
N/A

>  <Target> (3,749)
Dopamine Receptor

>  <Form> (3,749)
Free Base

>  <URL> (3,749)
http://www.selleckchem.com/products/azaperone.html

>  <CAS Number> (3,749)
1649-18-9

$$$$
Benzbromarone .cdx
csChFnd80/10101813242D

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    0.0000    2.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7552    0.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5136    3.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0732    5.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8780    3.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4179    5.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3379    4.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7823    2.3232    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.8350    7.0164    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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 18 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,750)
3750

>  <Formula> (3,750)
C17H12Br2O3

>  <MolWeight> (3,750)
424.08338

>  <Item Name> (3,750)
Benzbromarone

>  <Catalog Number> (3,750)
S4221

>  <Synonyms> (3,750)
N/A

>  <Target> (3,750)
P450 (e.g. CYP17)

>  <Form> (3,750)
Free Base

>  <URL> (3,750)
http://www.selleckchem.com/products/benzbromarone.html

>  <CAS Number> (3,750)
3562-84-3

$$$$
Benzethonium chloride.cdx
csChFnd80/10101813242D

 31 31  0  0  0  0  0  0  0  0999 V2000
    4.4487    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    3.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    2.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8820    3.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6654    5.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363    2.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8576    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7575    4.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0945    5.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3069    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5193    5.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7318    5.0636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1566    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3691    5.7636    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   16.5815    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4692    6.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2690    6.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7940    5.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0106    5.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2273    5.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2273    7.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0106    7.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7940    7.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    1.8148    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,751)
3751

>  <Formula> (3,751)
C27H42ClNO2

>  <MolWeight> (3,751)
448.08088

>  <Item Name> (3,751)
Benzethonium chloride

>  <Catalog Number> (3,751)
S4162

>  <Synonyms> (3,751)
N/A

>  <Target> (3,751)
AChR

>  <Form> (3,751)
Chloride

>  <URL> (3,751)
http://www.selleckchem.com/products/benzethonium-chloride.html

>  <CAS Number> (3,751)
121-54-0

$$$$
Benzoic acid .cdx
csChFnd80/10101813242D

  9  9  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
    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
    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 O   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
  1  2  2  0  0  0  0
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  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
M  END
>  <Mol_ID> (3,752)
3752

>  <Formula> (3,752)
C7H6O2

>  <MolWeight> (3,752)
122.12134

>  <Item Name> (3,752)
Benzoic acid

>  <Catalog Number> (3,752)
S4161

>  <Synonyms> (3,752)
N/A

>  <Target> (3,752)
Others

>  <Form> (3,752)
Free Base

>  <URL> (3,752)
http://www.selleckchem.com/products/benzoic-acid.html

>  <CAS Number> (3,752)
65-85-0 

$$$$
Benzylpenicillin sodium.cdx
csChFnd80/10101813242D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.1553    8.8185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2122    7.4169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4321    9.3350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7934    8.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8842    7.3147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5911    7.0707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3345    8.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8010   10.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7264    9.6585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    6.2932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3277    9.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4127    7.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8136   11.6616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2122    6.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
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  6  7  1  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,753)
3753

>  <Formula> (3,753)
C16H17N2NaO4S

>  <MolWeight> (3,753)
356.37195

>  <Item Name> (3,753)
Penicillin G Sodium

>  <Catalog Number> (3,753)
S4160

>  <Synonyms> (3,753)
N/A

>  <Target> (3,753)
Antifection

>  <Form> (3,753)
Sodium Salt

>  <URL> (3,753)
http://www.selleckchem.com/products/benzylpenicillin-sodium.html

>  <CAS Number> (3,753)
69-57-8

$$$$
Bezafibrate .cdx
csChFnd80/10101813242D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 18 13  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,754)
3754

>  <Formula> (3,754)
C19H20ClNO4

>  <MolWeight> (3,754)
361.8194

>  <Item Name> (3,754)
Bezafibrate

>  <Catalog Number> (3,754)
S4159

>  <Synonyms> (3,754)
N/A

>  <Target> (3,754)
PPAR

>  <Form> (3,754)
Free Base

>  <URL> (3,754)
http://www.selleckchem.com/products/bezafibrate.html

>  <CAS Number> (3,754)
41859-67-0

$$$$
chlorocresol.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6784    1.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0884    2.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6360    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242    3.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4557    2.6641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3705    1.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7771    3.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4043    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
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  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,755)
3755

>  <Formula> (3,755)
C7H7ClO

>  <MolWeight> (3,755)
142.58288

>  <Item Name> (3,755)
Chlorocresol

>  <Catalog Number> (3,755)
S4209

>  <Synonyms> (3,755)
N/A

>  <Target> (3,755)
Calcium Channel

>  <Form> (3,755)
Free Base

>  <URL> (3,755)
http://www.selleckchem.com/products/chlorocresol.html

>  <CAS Number> (3,755)
59-50-7

$$$$
Chromocarb.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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3756

>  <Formula> (3,756)
C10H6O4

>  <MolWeight> (3,756)
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>  <Item Name> (3,756)
Chromocarb

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S4208

>  <Synonyms> (3,756)
N/A

>  <Target> (3,756)
Others

>  <Form> (3,756)
Free Base

>  <URL> (3,756)
http://www.selleckchem.com/products/chromocarb.html

>  <CAS Number> (3,756)
4940-39-0

$$$$
Clofibric acid.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,757)
3757

>  <Formula> (3,757)
C10H11ClO3

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214.64554

>  <Item Name> (3,757)
Clofibric acid

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S4207

>  <Synonyms> (3,757)
N/A

>  <Target> (3,757)
PPAR

>  <Form> (3,757)
Free Base

>  <URL> (3,757)
http://www.selleckchem.com/products/clofibric-acid.html

>  <CAS Number> (3,757)
882-09-7

$$$$
Cysteamine HCl.cdx
csChFnd80/10101813242D

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3758

>  <Formula> (3,758)
C2H8ClNS

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113.60962

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Cysteamine HCl

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S4206

>  <Synonyms> (3,758)
N/A

>  <Target> (3,758)
Others

>  <Form> (3,758)
Hydrochloride

>  <URL> (3,758)
http://www.selleckchem.com/products/cysteamine-hcl.html

>  <CAS Number> (3,758)
156-57-0

$$$$
Dibenzothiophene.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,759)
3759

>  <Formula> (3,759)
C12H8S

>  <MolWeight> (3,759)
184.25692

>  <Item Name> (3,759)
Dibenzothiophene

>  <Catalog Number> (3,759)
S4205

>  <Synonyms> (3,759)
N/A

>  <Target> (3,759)
Others

>  <Form> (3,759)
Free Base

>  <URL> (3,759)
http://www.selleckchem.com/products/dibenzothiophene.html

>  <CAS Number> (3,759)
132-65-0

$$$$
Erythritol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,760)
3760

>  <Formula> (3,760)
C4H10O4

>  <MolWeight> (3,760)
122.1198

>  <Item Name> (3,760)
Erythritol

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S4224

>  <Synonyms> (3,760)
N/A

>  <Target> (3,760)
Others

>  <Form> (3,760)
Free Base

>  <URL> (3,760)
http://www.selleckchem.com/products/erythritol.html

>  <CAS Number> (3,760)
149-32-6

$$$$
fidaxomicin.cdx
csChFnd80/10101813242D

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M  CFW   8 B_NG_STER 2
M  CFW  12 B_NG_STER 2
M  END
>  <Mol_ID> (3,761)
3761

>  <Formula> (3,761)
C52H74Cl2O18

>  <MolWeight> (3,761)
1058.03916

>  <Item Name> (3,761)
Fidaxomicin

>  <Catalog Number> (3,761)
S4227

>  <Synonyms> (3,761)
N/A

>  <Target> (3,761)
DNA/RNA Synthes

>  <Form> (3,761)
Free Base

>  <URL> (3,761)
http://www.selleckchem.com/products/fidaxomicin.html

>  <CAS Number> (3,761)
873857-62-6

$$$$
Fluorometholone Acetate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,762)
3762

>  <Formula> (3,762)
C24H31FO5

>  <MolWeight> (3,762)
418.4983432

>  <Item Name> (3,762)
Fluorometholone Acetate

>  <Catalog Number> (3,762)
S4228

>  <Synonyms> (3,762)
N/A

>  <Target> (3,762)
Glucocorticoid Receptor

>  <Form> (3,762)
Free Base

>  <URL> (3,762)
http://www.selleckchem.com/products/fluorometholone-acetate.html

>  <CAS Number> (3,762)
3801-06-7

$$$$
Isosorbide.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.1287    1.8326    0.0000 C   0  0  1  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
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  6 12  1  1  0  0  0
M  END
>  <Mol_ID> (3,763)
3763

>  <Formula> (3,763)
C6H10O4

>  <MolWeight> (3,763)
146.1412

>  <Item Name> (3,763)
Isosorbide

>  <Catalog Number> (3,763)
S4204

>  <Synonyms> (3,763)
N/A

>  <Target> (3,763)
Others

>  <Form> (3,763)
Free Base

>  <URL> (3,763)
http://www.selleckchem.com/products/isosorbide.html

>  <CAS Number> (3,763)
652-67-5 

$$$$
Liothyronine Sodium.cdx
csChFnd80/10101813242D

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.0703    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,764)
3764

>  <Formula> (3,764)
C15H11I3NNaO4

>  <MolWeight> (3,764)
672.95532

>  <Item Name> (3,764)
Liothyronine Sodium

>  <Catalog Number> (3,764)
S4217

>  <Synonyms> (3,764)
N/A

>  <Target> (3,764)
Others

>  <Form> (3,764)
Free Base

>  <URL> (3,764)
http://www.selleckchem.com/products/liothyronine-sodium.html

>  <CAS Number> (3,764)
55-06-1

$$$$
mevastatin.cdx
csChFnd80/10101813242D

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  1  2  1  0  0  0  0
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 18  8  1  0  0  0  0
 11 10  1  0  0  0  0
 13 10  1  0  0  0  0
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 16 13  1  0  0  0  0
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 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,765)
3765

>  <Formula> (3,765)
C23H34O5

>  <MolWeight> (3,765)
390.51306

>  <Item Name> (3,765)
Mevastatin

>  <Catalog Number> (3,765)
S4223

>  <Synonyms> (3,765)
N/A

>  <Target> (3,765)
HMG-CoA Reductase

>  <Form> (3,765)
Free Base

>  <URL> (3,765)
http://www.selleckchem.com/products/mevastatin.html

>  <CAS Number> (3,765)
73573-88-3

$$$$
Mexiletine Hydrochloride.cdx
csChFnd80/10101813242D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.4411    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4411    0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1839    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8822    1.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855    2.7534    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.0855    4.0491    0.0000 N   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  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
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,766)
3766

>  <Formula> (3,766)
C11H18ClNO

>  <MolWeight> (3,766)
215.71972

>  <Item Name> (3,766)
Mexiletine HCl

>  <Catalog Number> (3,766)
S4225

>  <Synonyms> (3,766)
N/A

>  <Target> (3,766)
Sodium Channel

>  <Form> (3,766)
Hydrochloride

>  <URL> (3,766)
http://www.selleckchem.com/products/mexiletine-hcl.html

>  <CAS Number> (3,766)
5370-01-4

$$$$
Montelukast sodium.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,767)
3767

>  <Formula> (3,767)
C35H35ClNNaO3S

>  <MolWeight> (3,767)
608.16507

>  <Item Name> (3,767)
Montelukast Sodium

>  <Catalog Number> (3,767)
S4211

>  <Synonyms> (3,767)
N/A

>  <Target> (3,767)
LTR

>  <Form> (3,767)
Sodium Salt

>  <URL> (3,767)
http://www.selleckchem.com/products/montelukast-sodium.html

>  <CAS Number> (3,767)
151767-02-1

$$$$
Nithiamide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,768)
3768

>  <Formula> (3,768)
C5H5N3O3S

>  <MolWeight> (3,768)
187.1765

>  <Item Name> (3,768)
Nithiamide

>  <Catalog Number> (3,768)
S4232

>  <Synonyms> (3,768)
N/A

>  <Target> (3,768)
Antifection

>  <Form> (3,768)
Free Base

>  <URL> (3,768)
http://www.selleckchem.com/products/nithiamide.html

>  <CAS Number> (3,768)
140-40-9

$$$$
Oxaprozin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,769)
3769

>  <Formula> (3,769)
C18H15NO3

>  <MolWeight> (3,769)
293.3166

>  <Item Name> (3,769)
Oxaprozin

>  <Catalog Number> (3,769)
S4230

>  <Synonyms> (3,769)
N/A

>  <Target> (3,769)
COX

>  <Form> (3,769)
Free Base

>  <URL> (3,769)
http://www.selleckchem.com/products/oxaprozin.html

>  <CAS Number> (3,769)
21256-18-8

$$$$
Oxybuprocaine HCl.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,770)
3770

>  <Formula> (3,770)
C17H29ClN2O3

>  <MolWeight> (3,770)
344.87676

>  <Item Name> (3,770)
Oxybuprocaine HCl

>  <Catalog Number> (3,770)
S4229

>  <Synonyms> (3,770)
N/A

>  <Target> (3,770)
Sodium Channel

>  <Form> (3,770)
Hydrochloride

>  <URL> (3,770)
http://www.selleckchem.com/products/oxybuprocaine-hcl.html

>  <CAS Number> (3,770)
5987-82-6

$$$$
pheniramine maleate .cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,771)
3771

>  <Formula> (3,771)
C20H24N2O4

>  <MolWeight> (3,771)
356.41556

>  <Item Name> (3,771)
Pheniramine Maleate

>  <Catalog Number> (3,771)
S4045

>  <Synonyms> (3,771)
N/A

>  <Target> (3,771)
Histamine Receptor

>  <Form> (3,771)
Maleate

>  <URL> (3,771)
http://www.selleckchem.com/products/pheniramine-maleate.html

>  <CAS Number> (3,771)
132-20-7

$$$$
Pilocarpine HCl.cdx
csChFnd80/10101813242D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.1810    3.5554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1070    2.1574    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3437    4.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8703    4.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7427    1.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1823    1.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5905    3.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2488    0.4906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8506    4.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7887    2.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8319    3.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0858    5.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1766    2.0398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    6.4521    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,772)
3772

>  <Formula> (3,772)
C11H17ClN2O2

>  <MolWeight> (3,772)
244.71788

>  <Item Name> (3,772)
Pilocarpine HCl

>  <Catalog Number> (3,772)
S4231

>  <Synonyms> (3,772)
N/A

>  <Target> (3,772)
AChR

>  <Form> (3,772)
Hydrochloride

>  <URL> (3,772)
http://www.selleckchem.com/products/pilocarpine-hcl.html

>  <CAS Number> (3,772)
54-71-7

$$$$
Piperacillin Sodium.cdx
csChFnd80/10101813242D

 37 39  0  0  0  0  0  0  0  0999 V2000
    8.6817    4.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6817    3.2053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2498    4.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0624    5.0161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    2.7366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2498    3.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168    5.2795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8779    3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2481    2.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289    4.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8024    2.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8924    4.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8937    0.5597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3081    0.6754    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6217    5.2795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8289    3.2248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6217    6.6922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824    3.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687    5.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    7.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687    2.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    8.7727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0746    7.0903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0039    9.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6217    9.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168   10.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1919    8.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025   10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482   11.5661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1919   11.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289   12.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9270   13.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5122    0.0000    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  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  1  0  0  0
  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  6  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  1  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  2  0  0  0  0
 32 33  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (3,773)
3773

>  <Formula> (3,773)
C23H26N5NaO7S

>  <MolWeight> (3,773)
539.53661

>  <Item Name> (3,773)
Piperacillin Sodium

>  <Catalog Number> (3,773)
S4222

>  <Synonyms> (3,773)
N/A

>  <Target> (3,773)
Antifection

>  <Form> (3,773)
Sodium Salt

>  <URL> (3,773)
http://www.selleckchem.com/products/piperacillin-sodium.html

>  <CAS Number> (3,773)
59703-84-3

$$$$
Tolperisone HCl.cdx
csChFnd80/10101813242D

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    8.2469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1763    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 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
M  END
>  <Mol_ID> (3,774)
3774

>  <Formula> (3,774)
C16H24ClNO

>  <MolWeight> (3,774)
281.82086

>  <Item Name> (3,774)
Tolperisone HCl

>  <Catalog Number> (3,774)
S4200

>  <Synonyms> (3,774)
N/A

>  <Target> (3,774)
Sodium Channel

>  <Form> (3,774)
Hydrochloride

>  <URL> (3,774)
http://www.selleckchem.com/products/tolperisone-hcl.html

>  <CAS Number> (3,774)
3644-61-9

$$$$
Zoxazolamine.cdx
csChFnd80/10101813242D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.4517    0.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    2.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    0.5809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3538    2.8070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8887    2.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8389    0.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0101    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3063    2.4610    0.0000 Cl  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
  4  8  2  0  0  0  0
  5  7  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,775)
3775

>  <Formula> (3,775)
C7H5ClN2O

>  <MolWeight> (3,775)
168.5804

>  <Item Name> (3,775)
Zoxazolamine

>  <Catalog Number> (3,775)
S4233

>  <Synonyms> (3,775)
N/A

>  <Target> (3,775)
Others

>  <Form> (3,775)
Free Base

>  <URL> (3,775)
http://www.selleckchem.com/products/zoxazolamine.html

>  <CAS Number> (3,775)
61-80-3

$$$$
Prucalopride succinat.cdx
csChFnd80/10101813242D

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.4039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1768    1.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3095    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4421    1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0094    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6094    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7093    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0093    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6094    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9094    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5094    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8094    4.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8093    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6093    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3094    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7094    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4094    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7093    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3094    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2094    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5094    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1094    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7093    6.0623    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.1094    3.6374    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
  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
  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
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 13 17  2  0  0  0  0
 12 14  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 17 18  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
 21 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 29 30  1  0  0  0  0
 21 27  1  0  0  0  0
 20 24  1  0  0  0  0
 15 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
>  <Mol_ID> (3,776)
3776

>  <Formula> (3,776)
C22H32ClN3O7

>  <MolWeight> (3,776)
485.95838

>  <Item Name> (3,776)
Prucalopride Succinat

>  <Catalog Number> (3,776)
S4247

>  <Synonyms> (3,776)
N/A

>  <Target> (3,776)
5-HT Receptor

>  <Form> (3,776)
Succinat

>  <URL> (3,776)
http://www.selleckchem.com/products/prucalopride-succinat.html

>  <CAS Number> (3,776)
179474-85-2

$$$$
Bromfenac sodium.cdx
csChFnd80/10101813242D

 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
    9.4502    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1502    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2502    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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  8  9  1  0  0  0  0
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  6 11  2  0  0  0  0
  3  6  1  0  0  0  0
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 12 19  2  0  0  0  0
 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> (3,777)
3777

>  <Formula> (3,777)
C15H11BrNNaO3

>  <MolWeight> (3,777)
356.14651

>  <Item Name> (3,777)
Bromfenac Sodium

>  <Catalog Number> (3,777)
S4248

>  <Synonyms> (3,777)
N/A

>  <Target> (3,777)
COX

>  <Form> (3,777)
Sodium Salt

>  <URL> (3,777)
http://www.selleckchem.com/products/bromfenac-sodium.html

>  <CAS Number> (3,777)
91714-93-1

$$$$
Flopropione.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6382    2.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4611    3.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621    1.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2440    2.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8519    3.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9371    4.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5528    0.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4009    1.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    3.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    2.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7869    1.8710    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
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  5 11  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,778)
3778

>  <Formula> (3,778)
C9H10O4

>  <MolWeight> (3,778)
182.1733

>  <Item Name> (3,778)
Flopropione

>  <Catalog Number> (3,778)
S4249

>  <Synonyms> (3,778)
N/A

>  <Target> (3,778)
5-HT Receptor

>  <Form> (3,778)
Free Base

>  <URL> (3,778)
http://www.selleckchem.com/products/flopropione.html

>  <CAS Number> (3,778)
2295-58-1

$$$$
S4246.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.5079    5.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853    4.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649    3.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670    2.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6895    2.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100    4.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325    5.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3323    5.0548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6501    6.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5344    4.3371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    2.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 R   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
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
  8 10  1  1  0  0  0
A   12
relative stereochemistry
M  END
>  <Mol_ID> (3,779)
3779

>  <Formula> (3,779)
C9H12ClNR

>  <MolWeight> (3,779)
169.65128

>  <Item Name> (3,779)
Tranylcypromine (2-PCPA) HCl

>  <Catalog Number> (3,779)
S4246

>  <Synonyms> (3,779)
N/A

>  <Target> (3,779)
MAO

>  <Form> (3,779)
Hydrochloride

>  <URL> (3,779)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

>  <CAS Number> (3,779)
4548-34-9

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9745    4.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5745    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 N   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
    3.6373    3.4999    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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
   12.1241    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 17 18  1  0  0  0  0
 14 17  1  0  0  0  0
 10 11  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,780)
3780

>  <Formula> (3,780)
C11H12N4O3S

>  <MolWeight> (3,780)
280.30298

>  <Item Name> (3,780)
Sulfamethoxypyridazine

>  <Catalog Number> (3,780)
S4250

>  <Synonyms> (3,780)
N/A

>  <Target> (3,780)
Antifection

>  <Form> (3,780)
Free Base

>  <URL> (3,780)
http://www.selleckchem.com/products/sulfamethoxypyridazine.html

>  <CAS Number> (3,780)
80-35-3

$$$$
Phenothiazine.cdx
csChFnd80/10101813242D

 14 16  0  0  0  0  0  0  0  0999 V2000
    2.4326    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    2.7821    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
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  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,781)
3781

>  <Formula> (3,781)
C12H9NS

>  <MolWeight> (3,781)
199.27156

>  <Item Name> (3,781)
Phenothiazine

>  <Catalog Number> (3,781)
S4251

>  <Synonyms> (3,781)
N/A

>  <Target> (3,781)
Dopamine Receptor

>  <Form> (3,781)
Free Base

>  <URL> (3,781)
http://www.selleckchem.com/products/phenothiazine.html

>  <CAS Number> (3,781)
92-84-2

$$$$
Mechlorethamine HCl.cdx
csChFnd80/10101813242D

  9  7  0  0  0  0  0  0  0  0999 V2000
    7.2744    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0002    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0713    0.5795    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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,782)
3782

>  <Formula> (3,782)
C5H12Cl3N

>  <MolWeight> (3,782)
192.51448

>  <Item Name> (3,782)
Mechlorethamine HCl

>  <Catalog Number> (3,782)
S4252

>  <Synonyms> (3,782)
N/A

>  <Target> (3,782)
DNA/RNA Synthesis

>  <Form> (3,782)
Hydrochloride

>  <URL> (3,782)
http://www.selleckchem.com/products/mechlorethamine-hcl.html

>  <CAS Number> (3,782)
55-86-7

$$$$
Epinastine HCl.cdx
csChFnd80/10101813242D

 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
    4.8842    1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3992    5.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6813    5.9355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5934    4.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6730    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0691    0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6764    1.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    2.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.0180    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
  3 14  2  0  0  0  0
  4 11  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
  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> (3,783)
3783

>  <Formula> (3,783)
C16H16ClN3

>  <MolWeight> (3,783)
285.77134

>  <Item Name> (3,783)
Epinastine HCl

>  <Catalog Number> (3,783)
S4253

>  <Synonyms> (3,783)
N/A

>  <Target> (3,783)
Histamine Receptor

>  <Form> (3,783)
Hydrochloride

>  <URL> (3,783)
http://www.selleckchem.com/products/epinastine-hcl.html

>  <CAS Number> (3,783)
108929-04-0

$$$$
HA14-1.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (3,784)
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>  <Formula> (3,784)
C17H17BrN2O5

>  <MolWeight> (3,784)
409.23128

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HA14-1

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S1071

>  <Synonyms> (3,784)
HA141

>  <Target> (3,784)
Bcl-2

>  <Form> (3,784)
Free Base

>  <URL> (3,784)
http://www.selleckchem.com/products/HA14-1.html

>  <CAS Number> (3,784)
65673-63-4

$$$$
Latrepirdine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,785)
3785

>  <Formula> (3,785)
C21H27Cl2N3

>  <MolWeight> (3,785)
392.36518

>  <Item Name> (3,785)
Latrepirdine 2HCl

>  <Catalog Number> (3,785)
S1245

>  <Synonyms> (3,785)
Dimebolin

>  <Target> (3,785)
GluR

>  <Form> (3,785)
Dihydrochloride

>  <URL> (3,785)
http://www.selleckchem.com/products/Dimebon.html

>  <CAS Number> (3,785)
97657-92-6

$$$$
Bazedoxifene acetate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,786)
3786

>  <Formula> (3,786)
C32H38N2O5

>  <MolWeight> (3,786)
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>  <Item Name> (3,786)
Bazedoxifene Acetate

>  <Catalog Number> (3,786)
S2167

>  <Synonyms> (3,786)
N/A

>  <Target> (3,786)
Estrogen/progestogen Receptor

>  <Form> (3,786)
Acetate

>  <URL> (3,786)
http://www.selleckchem.com/products/Bazedoxifene-acetate.html

>  <CAS Number> (3,786)
198481-33-3

$$$$
Aloe-emodin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,787)
3787

>  <Formula> (3,787)
C15H10O5

>  <MolWeight> (3,787)
270.2369

>  <Item Name> (3,787)
Aloe-emodin

>  <Catalog Number> (3,787)
S2259

>  <Synonyms> (3,787)
N/A

>  <Target> (3,787)
Antifection

>  <Form> (3,787)
Free Base

>  <URL> (3,787)
http://www.selleckchem.com/products/Aloe-emodin.html

>  <CAS Number> (3,787)
481-72-1

$$$$
Daidzin.cdx
csChFnd80/10101813242D

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

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552-66-9

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OC000459.cdx
csChFnd80/10101813242D

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GPR
GPR

>  <Form> (3,789)
Free Base

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http://www.selleckchem.com/products/oc000459.html

>  <CAS Number> (3,789)
851723-84-7, 950688-14-9 (sodium salt)

$$$$
Verapamil HCl.cdx
csChFnd80/10101813242D

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Verapamil HCl

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N/A

>  <Target> (3,790)
Calcium Channel

>  <Form> (3,790)
Hydrochloride

>  <URL> (3,790)
http://www.selleckchem.com/products/verapami-hcl.html

>  <CAS Number> (3,790)
152-11-4

$$$$
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p38 MAPK 

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209410-46-8

$$$$
untitled.cdx
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Triciribine

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N/A

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Akt

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Free Base

>  <URL> (3,792)
http://www.selleckchem.com/products/Triciribine.html

>  <CAS Number> (3,792)
35943-35-2

$$$$
AZD 1480.cdx
csChFnd80/10101813242D

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C14H14ClFN8

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AZD1480

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S2162

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N/A

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JAK

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Free Base

>  <URL> (3,793)
http://www.selleckchem.com/products/AZD1480.html

>  <CAS Number> (3,793)
935666-88-9, 1260222-79-4 (TFA)

$$$$
quinacrine dihydrochloride.cdx
csChFnd80/10101813242D

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Quinacrine 2HCl

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S4255

>  <Synonyms> (3,794)
N/A

>  <Target> (3,794)
Phospholipase (e.g. PLA)

>  <Form> (3,794)
Dihydrochloride

>  <URL> (3,794)
http://www.selleckchem.com/products/quinacrine-2hcl.html

>  <CAS Number> (3,794)
69-05-6

$$$$
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csChFnd80/10101813242D

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Pifithrin-¦Ì

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NSC 303580, PFT¦Ì

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p53

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Free Base

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http://www.selleckchem.com/products/pifithrin-u.html

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64984-31-2

$$$$
oxethazaine.cdx
csChFnd80/10101813242D

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3796

>  <Formula> (3,796)
C28H41N3O3

>  <MolWeight> (3,796)
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>  <Item Name> (3,796)
oxethazaine

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S4343 

>  <Synonyms> (3,796)
Oxethacaine

>  <Target> (3,796)
Others

>  <Form> (3,796)
Free Base

>  <URL> (3,796)
http://www.selleckchem.com/products/oxethazaine.html

>  <CAS Number> (3,796)
126-27-2

$$$$
(S)-(+)-FLURBIPROFEN.cdx
csChFnd80/10101813242D

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Flurbiprofen

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S1679

>  <Synonyms> (3,797)
Urbifen, Ansaid, Flurwood, Froben

>  <Target> (3,797)
COX

>  <Form> (3,797)
Free Base

>  <URL> (3,797)
http://www.selleckchem.com/products/Flurbiprofen(Ansaid).html

>  <CAS Number> (3,797)
51543-39-6

$$$$
Chlorpheniramine Maleate.cdx
csChFnd80/10101813242D

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3798

>  <Formula> (3,798)
C20H23ClN2O4

>  <MolWeight> (3,798)
390.86062

>  <Item Name> (3,798)
Chlorpheniramine Maleate

>  <Catalog Number> (3,798)
S1816

>  <Synonyms> (3,798)
Piriton

>  <Target> (3,798)
Histamine Receptor

>  <Form> (3,798)
Maleate

>  <URL> (3,798)
http://www.selleckchem.com/products/Chlorpheniramine-maleate.html

>  <CAS Number> (3,798)
113-92-8

$$$$
Emtricitabine.cdx
csChFnd80/10101813242D

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>  <Formula> (3,799)
C8H10FN3O3S

>  <MolWeight> (3,799)
247.2467032

>  <Item Name> (3,799)
Emtricitabine

>  <Catalog Number> (3,799)
S1704

>  <Synonyms> (3,799)
Atripla

>  <Target> (3,799)
Reverse Transcriptase

>  <Form> (3,799)
Free Base

>  <URL> (3,799)
http://www.selleckchem.com/products/Emtricitabine.html

>  <CAS Number> (3,799)
143491-57-0

$$$$
Idoxuridine.cdx
csChFnd80/10101813242D

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3800

>  <Formula> (3,800)
C9H11IN2O5

>  <MolWeight> (3,800)
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>  <Item Name> (3,800)
Idoxuridin

>  <Catalog Number> (3,800)
S1883

>  <Synonyms> (3,800)
N/A

>  <Target> (3,800)
Antifection

>  <Form> (3,800)
Free Base

>  <URL> (3,800)
http://www.selleckchem.com/products/idoxuridine.html

>  <CAS Number> (3,800)
54-42-2

$$$$
Lubiprostone.cdx
csChFnd80/10101813242D

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>  <Formula> (3,801)
C20H32F2O5

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>  <Item Name> (3,801)
Lubiprostone

>  <Catalog Number> (3,801)
S1675

>  <Synonyms> (3,801)
Amitiza, RU-0211, SPI-0211

>  <Target> (3,801)
Others

>  <Form> (3,801)
Free Base

>  <URL> (3,801)
http://www.selleckchem.com/products/Lubiprostone(Amitiza).html

>  <CAS Number> (3,801)
136790-76-6

$$$$
Mitotane.cdx
csChFnd80/10101813242D

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Lysodren, Mitotan

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Free Base

>  <URL> (3,802)
http://www.selleckchem.com/products/Mitotane(Lysodren).html

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53-19-0

$$$$
Nisoldipine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,803)
3803

>  <Formula> (3,803)
C20H24N2O6

>  <MolWeight> (3,803)
388.41436

>  <Item Name> (3,803)
Nisoldipine

>  <Catalog Number> (3,803)
S1748

>  <Synonyms> (3,803)
Zadipina

>  <Target> (3,803)
Calcium Channel

>  <Form> (3,803)
Free Base

>  <URL> (3,803)
http://www.selleckchem.com/products/Nisoldipine(Sular).html

>  <CAS Number> (3,803)
63675-72-9

$$$$
Rifabutin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,804)
3804

>  <Formula> (3,804)
C46H62N4O11

>  <MolWeight> (3,804)
847.00468

>  <Item Name> (3,804)
Rifabutin

>  <Catalog Number> (3,804)
S1741

>  <Synonyms> (3,804)
Mycobutin, Ansamycin, LM 427, Ansatipine

>  <Target> (3,804)
Antifection

>  <Form> (3,804)
Free Base

>  <URL> (3,804)
http://www.selleckchem.com/products/Rifabutin(Mycobutin).html

>  <CAS Number> (3,804)
72559-06-9

$$$$
Rifampin.cdx
csChFnd80/10101813242D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (3,805)
3805

>  <Formula> (3,805)
C43H58N4O12

>  <MolWeight> (3,805)
822.94022

>  <Item Name> (3,805)
Rifampin

>  <Catalog Number> (3,805)
S1764

>  <Synonyms> (3,805)
Rifampicin

>  <Target> (3,805)
DNA/RNA Synthesis

>  <Form> (3,805)
Free Base

>  <URL> (3,805)
http://www.selleckchem.com/products/Rifampin(Rifadin).html

>  <CAS Number> (3,805)
13292-46-1

$$$$
Rifapentine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,806)
3806

>  <Formula> (3,806)
C47H64N4O12

>  <MolWeight> (3,806)
877.03066

>  <Item Name> (3,806)
Rifapentine

>  <Catalog Number> (3,806)
S1760

>  <Synonyms> (3,806)
Cyclopentylrifampicin

>  <Target> (3,806)
DNA/RNA Synthesis

>  <Form> (3,806)
Free Base

>  <URL> (3,806)
http://www.selleckchem.com/products/Rifapentine(Priftin).html

>  <CAS Number> (3,806)
61379-65-5

$$$$
spironolactone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,807)
3807

>  <Formula> (3,807)
C24H32O4S

>  <MolWeight> (3,807)
416.57348

>  <Item Name> (3,807)
spironolactone

>  <Catalog Number> (3,807)
S4054

>  <Synonyms> (3,807)
N/A

>  <Target> (3,807)
Androgen Receptor

>  <Form> (3,807)
Free Base

>  <URL> (3,807)
http://www.selleckchem.com/products/spironolactone.html

>  <CAS Number> (3,807)
52-01-7

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,808)
3808

>  <Formula> (3,808)
C15H12O7

>  <MolWeight> (3,808)
304.25158

>  <Item Name> (3,808)
Taxifolin (Dihydroquercetin)

>  <Catalog Number> (3,808)
S2366

>  <Synonyms> (3,808)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (3,808)
VEGFR

>  <Form> (3,808)
Free Base

>  <URL> (3,808)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

>  <CAS Number> (3,808)
480-18-2

$$$$
Alizapride hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,809)
3809

>  <Formula> (3,809)
C16H22ClN5O2

>  <MolWeight> (3,809)
351.83118

>  <Item Name> (3,809)
Alizapride hydrochloride

>  <Catalog Number> (3,809)
S4257 

>  <Synonyms> (3,809)
N/A

>  <Target> (3,809)
Dopamine Receptor

>  <Form> (3,809)
hydrochloride

>  <URL> (3,809)
http://www.selleckchem.com/products/alizapride-hcl.html

>  <CAS Number> (3,809)
59338-87-3

$$$$
Brimonidine Tartrate.cdx
csChFnd80/10101813242D

 27 28  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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 10  5  2  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (3,810)
3810

>  <Formula> (3,810)
C15H16BrN5O6

>  <MolWeight> (3,810)
442.22144

>  <Item Name> (3,810)
Brimonidine Tartrate

>  <Catalog Number> (3,810)
S4266

>  <Synonyms> (3,810)
N/A

>  <Target> (3,810)
Adrenergic Receptor

>  <Form> (3,810)
Tartrate

>  <URL> (3,810)
http://www.selleckchem.com/products/brimonidine-tartrate.html

>  <CAS Number> (3,810)
70359-46-5

$$$$
Buspirone hydrochloride.cdx
csChFnd80/10101813242D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (3,811)
3811

>  <Formula> (3,811)
C21H32ClN5O2

>  <MolWeight> (3,811)
421.96408

>  <Item Name> (3,811)
Buspirone hydrochloride

>  <Catalog Number> (3,811)
S4256 

>  <Synonyms> (3,811)
N/A

>  <Target> (3,811)
5-HT Receptor

>  <Form> (3,811)
Hydrochloride

>  <URL> (3,811)
http://www.selleckchem.com/products/buspirone-hcl.html

>  <CAS Number> (3,811)
33386-08-2

$$$$
Diacerein.cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
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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> (3,812)
3812

>  <Formula> (3,812)
C19H12O8

>  <MolWeight> (3,812)
368.29378

>  <Item Name> (3,812)
Diacerein

>  <Catalog Number> (3,812)
S4267 

>  <Synonyms> (3,812)
N/A

>  <Target> (3,812)
IL Receptor

>  <Form> (3,812)
Free Base

>  <URL> (3,812)
http://www.selleckchem.com/products/diacerein.html

>  <CAS Number> (3,812)
13739-02-1

$$$$
RAPAFLO (silodosin).cdx
csChFnd80/10101813242D

 35 37  0  0  0  0  0  0  0  0999 V2000
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   16.8044   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1520   11.3405    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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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 23  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (3,813)
3813

>  <Formula> (3,813)
C25H32F3N3O4

>  <MolWeight> (3,813)
495.5344896

>  <Item Name> (3,813)
Silodosin

>  <Catalog Number> (3,813)
S1613

>  <Synonyms> (3,813)
N/A

>  <Target> (3,813)
Adrenergic Recepto

>  <Form> (3,813)
Free Base

>  <URL> (3,813)
http://www.selleckchem.com/products/Silodosin(Rapaflo).html

>  <CAS Number> (3,813)
160970-54-7

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/10101813242D

 36 38  0  0  0  0  0  0  0  0999 V2000
   10.9195    4.7638    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2263    3.3978    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6202    3.2674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1749    4.5529    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1238    5.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6341    5.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3256    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8639    2.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5071    6.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1447    7.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7924    7.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8025    6.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1347    8.5127    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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  3  4  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
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 11 14  1  6  0  0  0
 13 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
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 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  2 25  1  6  0  0  0
  4 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 27 32  2  0  0  0  0
 29 33  2  0  0  0  0
  3 34  1  1  0  0  0
  3 35  1  6  0  0  0
  8 36  2  0  0  0  0
M  END
>  <Mol_ID> (3,814)
3814

>  <Formula> (3,814)
C22H29FN3O9P

>  <MolWeight> (3,814)
529.4525242

>  <Item Name> (3,814)
Sofosbuvir(PSI-7977)

>  <Catalog Number> (3,814)
S2794

>  <Synonyms> (3,814)
N/A

>  <Target> (3,814)
DNA/RNA Synthesis

>  <Form> (3,814)
Free Base

>  <URL> (3,814)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

>  <CAS Number> (3,814)
1190307-88-0

$$$$
Efaproxiral sodium.cdx
csChFnd80/10101813242D

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    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
    0.0000    4.2000    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    4.2000    0.0000 N   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
    7.2746    4.2000    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
    8.4870    3.5000    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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3267    3.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8803    4.9108    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  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,815)
3815

>  <Formula> (3,815)
C20H22NNaO4

>  <MolWeight> (3,815)
363.38275

>  <Item Name> (3,815)
Efaproxiral sodium

>  <Catalog Number> (3,815)
S4263 

>  <Synonyms> (3,815)
N/A

>  <Target> (3,815)
Others

>  <Form> (3,815)
Sodium salt

>  <URL> (3,815)
http://www.selleckchem.com/products/efaproxiral-sodium.html

>  <CAS Number> (3,815)
170787-99-2

$$$$
Etofibrate.cdx
csChFnd80/10101813242D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  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 19  1  0  0  0  0
 18 20  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,816)
3816

>  <Formula> (3,816)
C18H18ClNO5

>  <MolWeight> (3,816)
363.79222

>  <Item Name> (3,816)
Etofibrate

>  <Catalog Number> (3,816)
S4264 

>  <Synonyms> (3,816)
N/A

>  <Target> (3,816)
Others

>  <Form> (3,816)
Free Base

>  <URL> (3,816)
http://www.selleckchem.com/products/etofibrate.html

>  <CAS Number> (3,816)
31637-97-5

$$$$
Flufenamic acid.cdx
csChFnd80/10101813242D

 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
    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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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 11 16  2  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 13 17  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,817)
3817

>  <Formula> (3,817)
C14H10F3NO2

>  <MolWeight> (3,817)
281.2299096

>  <Item Name> (3,817)
Flufenamic acid

>  <Catalog Number> (3,817)
S4268 

>  <Synonyms> (3,817)
N/A

>  <Target> (3,817)
COX

>  <Form> (3,817)
Free Base

>  <URL> (3,817)
http://www.selleckchem.com/products/flufenamic-acid.html

>  <CAS Number> (3,817)
530-78-9

$$$$
Luliconazole.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6009    4.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8134    3.7486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,818)
3818

>  <Formula> (3,818)
C14H9Cl2N3S2

>  <MolWeight> (3,818)
354.27736

>  <Item Name> (3,818)
Luliconazole

>  <Catalog Number> (3,818)
S4258 

>  <Synonyms> (3,818)
N/A

>  <Target> (3,818)
Antifection

>  <Form> (3,818)
Free Base

>  <URL> (3,818)
http://www.selleckchem.com/products/luliconazole.html

>  <CAS Number> (3,818)
187164-19-8

$$$$
Nicaraven.cdx
csChFnd80/10101813242D

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 14 15  1  0  0  0  0
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,819)
3819

>  <Formula> (3,819)
C15H16N4O2

>  <MolWeight> (3,819)
284.31314

>  <Item Name> (3,819)
Nicaraven

>  <Catalog Number> (3,819)
S4265 

>  <Synonyms> (3,819)
N/A

>  <Target> (3,819)
Others

>  <Form> (3,819)
Free Base

>  <URL> (3,819)
http://www.selleckchem.com/products/nicaraven.html

>  <CAS Number> (3,819)
79455-30-4

$$$$
Tamibarotene.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,820)
3820

>  <Formula> (3,820)
C22H25NO3

>  <MolWeight> (3,820)
351.4388

>  <Item Name> (3,820)
Tamibarotene

>  <Catalog Number> (3,820)
S4260 

>  <Synonyms> (3,820)
N/A

>  <Target> (3,820)
Retinoid Receptor

>  <Form> (3,820)
Free Base

>  <URL> (3,820)
http://www.selleckchem.com/products/tamibarotene.html

>  <CAS Number> (3,820)
94497-51-5

$$$$
Vilazodone Hydrochloride.cdx
csChFnd80/10101813242D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,821)
3821

>  <Formula> (3,821)
C26H28ClN5O2

>  <MolWeight> (3,821)
477.98582

>  <Item Name> (3,821)
Vilazodone Hydrochloride

>  <Catalog Number> (3,821)
S4259 

>  <Synonyms> (3,821)
N/A

>  <Target> (3,821)
Others

>  <Form> (3,821)
Hydrochloride

>  <URL> (3,821)
http://www.selleckchem.com/products/vilazodone-hcl.html

>  <CAS Number> (3,821)
163521-08-2

$$$$
TELAPREVIR (VX-950).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,822)
3822

>  <Formula> (3,822)
C36H53N7O6

>  <MolWeight> (3,822)
679.84932

>  <Item Name> (3,822)
Telaprevir (VX-950)

>  <Catalog Number> (3,822)
S1538

>  <Synonyms> (3,822)
LY-570310, MP-424

>  <Target> (3,822)
HCV Protease

>  <Form> (3,822)
Free Base

>  <URL> (3,822)
http://www.selleckchem.com/products/Telaprevir(VX-950).html

>  <CAS Number> (3,822)
402957-28-2

$$$$
TTNPB.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,823)
3823

>  <Formula> (3,823)
C24H28O2

>  <MolWeight> (3,823)
348.47792

>  <Item Name> (3,823)
TTNPB

>  <Catalog Number> (3,823)
S4627 

>  <Synonyms> (3,823)
Ro 13-7410

>  <Target> (3,823)
Retinoid Receptor

>  <Form> (3,823)
Free Base

>  <URL> (3,823)
http://www.selleckchem.com/products/ttnpb-arotinoid-acid.html

>  <CAS Number> (3,823)
71441-28-6

$$$$
LX1606.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,824)
3824

>  <Formula> (3,824)
C36H35ClF3N7O6

>  <MolWeight> (3,824)
754.1546096

>  <Item Name> (3,824)
LX1606 hippurate

>  <Catalog Number> (3,824)
S2173

>  <Synonyms> (3,824)
Telotristat Etiprate

>  <Target> (3,824)
Hydroxylase

>  <Form> (3,824)
Hippuric acid

>  <URL> (3,824)
http://www.selleckchem.com/products/telotristat-etiprate-lx-1606-hippurate.html

>  <CAS Number> (3,824)
11137608-69-5

$$$$
Vinorelbine tartrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,825)
3825

>  <Formula> (3,825)
C53H66N4O20

>  <MolWeight> (3,825)
1079.10594

>  <Item Name> (3,825)
Vinorelbine Tartrate

>  <Catalog Number> (3,825)
S4269

>  <Synonyms> (3,825)
N/A

>  <Target> (3,825)
Microtubule Associated

>  <Form> (3,825)
Tartrate

>  <URL> (3,825)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

>  <CAS Number> (3,825)
125317-39-7

$$$$
Tenovin-6 HCl.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,826)
3826

>  <Formula> (3,826)
C25H35ClN4O2S

>  <MolWeight> (3,826)
491.089

>  <Item Name> (3,826)
Tenovin-6

>  <Catalog Number> (3,826)
S4900

>  <Synonyms> (3,826)
N/A

>  <Target> (3,826)
p53,Sirtuin

>  <Form> (3,826)
Free Base

>  <URL> (3,826)
http://www.selleckchem.com/products/tenovin-6.html

>  <CAS Number> (3,826)
1011557-82-6

$$$$
Almorexant HCl.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,827)
3827

>  <Formula> (3,827)
C29H32ClF3N2O3

>  <MolWeight> (3,827)
549.0241896

>  <Item Name> (3,827)
Almorexant HCl

>  <Catalog Number> (3,827)
S2160

>  <Synonyms> (3,827)
N/A

>  <Target> (3,827)
OX Receptor

>  <Form> (3,827)
Hydrochloride

>  <URL> (3,827)
http://www.selleckchem.com/products/almorexant-hcl.html

>  <CAS Number> (3,827)
913358-93-7

$$$$
Oxiracetam.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,828)
3828

>  <Formula> (3,828)
C6H10N2O3

>  <MolWeight> (3,828)
158.1552

>  <Item Name> (3,828)
Oxiracetam

>  <Catalog Number> (3,828)
S4270

>  <Synonyms> (3,828)
ISF 2522

>  <Target> (3,828)
GABA Receptor

>  <Form> (3,828)
Free Base

>  <URL> (3,828)
http://www.selleckchem.com/products/oxiracetam.html

>  <CAS Number> (3,828)
62613-82-5

$$$$
Vincristine Sulfate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,829)
3829

>  <Formula> (3,829)
C46H58N4O14S

>  <MolWeight> (3,829)
923.03612

>  <Item Name> (3,829)
Vincristine Sulfate

>  <Catalog Number> (3,829)
S1241

>  <Synonyms> (3,829)
Leurocristine

>  <Target> (3,829)
Microtubule Associ

>  <Form> (3,829)
Free Base

>  <URL> (3,829)
http://www.selleckchem.com/products/Vincristine-Sulfate.html

>  <CAS Number> (3,829)
2068-78-2

$$$$
Tenatoprazole.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,830)
3830

>  <Formula> (3,830)
C16H18N4O3S

>  <MolWeight> (3,830)
346.40412

>  <Item Name> (3,830)
Tenatoprazole

>  <Catalog Number> (3,830)
S4212

>  <Synonyms> (3,830)
N/A

>  <Target> (3,830)
Proton Pump

>  <Form> (3,830)
Free Base

>  <URL> (3,830)
http://www.selleckchem.com/products/tenatoprazole.html

>  <CAS Number> (3,830)
113712-98-4

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/10101813242D

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 15 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 15  1  0  0  0  0
 17 31  1  1  0  0  0
M  END
>  <Mol_ID> (3,831)
3831

>  <Formula> (3,831)
C19H20F3IN2O5S

>  <MolWeight> (3,831)
572.3371796

>  <Item Name> (3,831)
Refametinib (RDEA119, Bay 86-9766)

>  <Catalog Number> (3,831)
S1089

>  <Synonyms> (3,831)
BAY 869766

>  <Target> (3,831)
MEK

>  <Form> (3,831)
Free Base

>  <URL> (3,831)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

>  <CAS Number> (3,831)
923032-37-5

$$$$
Meclofenoxate HCl.cdx
csChFnd80/10101813242D

 18 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9514    1.9250    0.0000 Cl  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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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,832)
3832

>  <Formula> (3,832)
C12H17Cl2NO3

>  <MolWeight> (3,832)
294.17428

>  <Item Name> (3,832)
Meclofenoxate (Centrophenoxine) HCl

>  <Catalog Number> (3,832)
S4280

>  <Synonyms> (3,832)
N/A

>  <Target> (3,832)
Transferase

>  <Form> (3,832)
Hydrochloride

>  <URL> (3,832)
http://www.selleckchem.com/products/meclofenoxate-centrophenoxine-hci.html

>  <CAS Number> (3,832)
3685-84-5

$$$$
Ospemifene.cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    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
    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
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    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    0.0000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
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  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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 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 21 15  1  0  0  0  0
 16 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 16  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,833)
3833

>  <Formula> (3,833)
C24H23ClO2

>  <MolWeight> (3,833)
378.89122

>  <Item Name> (3,833)
Ospemifene

>  <Catalog Number> (3,833)
S4285

>  <Synonyms> (3,833)
N/A

>  <Target> (3,833)
Estrogen/progestogen Receptor

>  <Form> (3,833)
Free Base

>  <URL> (3,833)
http://www.selleckchem.com/products/ospemifene.html

>  <CAS Number> (3,833)
128607-22-7

$$$$
Nelfinavir mesylate .cdx
csChFnd80/10101813242D

 47 49  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 31 26  1  0  0  0  0
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  5 34  1  6  0  0  0
  4 35  1  6  0  0  0
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 43 44  1  0  0  0  0
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 44 46  2  0  0  0  0
 44 47  2  0  0  0  0
M  END
>  <Mol_ID> (3,834)
3834

>  <Formula> (3,834)
C33H49N3O7S2

>  <MolWeight> (3,834)
663.88806

>  <Item Name> (3,834)
Nelfinavir Mesylate

>  <Catalog Number> (3,834)
S4282

>  <Synonyms> (3,834)
N/A

>  <Target> (3,834)
HIV Protease

>  <Form> (3,834)
Mesylate

>  <URL> (3,834)
http://www.selleckchem.com/products/nelfinavir-mesylate.html

>  <CAS Number> (3,834)
159989-65-8

$$$$
Chloroprocaine hydrochloride.cdx
csChFnd80/10101813242D

 19 18  0  0  0  0  0  0  0  0999 V2000
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,835)
3835

>  <Formula> (3,835)
C13H20Cl2N2O2

>  <MolWeight> (3,835)
307.2161

>  <Item Name> (3,835)
Chloroprocaine HCl

>  <Catalog Number> (3,835)
S4284

>  <Synonyms> (3,835)
N/A

>  <Target> (3,835)
Sodium Channel

>  <Form> (3,835)
Hydrochloride

>  <URL> (3,835)
http://www.selleckchem.com/products/chloroprocaine-hci.html

>  <CAS Number> (3,835)
3858-89-7

$$$$
Carteolol hydrochloride.cdx
csChFnd80/10101813242D

 22 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  3  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    2.1000    0.0000 N   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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    9.3659    1.9320    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
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  4  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  5  1  0  0  0  0
  9 11  2  0  0  0  0
  3 12  1  0  0  0  0
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 15 16  1  0  0  0  0
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 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,836)
3836

>  <Formula> (3,836)
C16H25ClN2O3

>  <MolWeight> (3,836)
328.8343

>  <Item Name> (3,836)
Carteolol HCl

>  <Catalog Number> (3,836)
S4278

>  <Synonyms> (3,836)
N/A

>  <Target> (3,836)
Adrenergic Receptor

>  <Form> (3,836)
Hydrochloride

>  <URL> (3,836)
http://www.selleckchem.com/products/carteolol-hci.html

>  <CAS Number> (3,836)
51781-21-6

$$$$
Demeclocycline hydrochloride.cdx
csChFnd80/10101813242D

 35 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
    0.0000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.9000    0.0000 H   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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  7 22  2  0  0  0  0
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  9 31  1  6  0  0  0
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 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (3,837)
3837

>  <Formula> (3,837)
C21H22Cl2N2O8

>  <MolWeight> (3,837)
501.31398

>  <Item Name> (3,837)
Demeclocycline HCl

>  <Catalog Number> (3,837)
S4279

>  <Synonyms> (3,837)
N/A

>  <Target> (3,837)
Antifection

>  <Form> (3,837)
Hydrochloride

>  <URL> (3,837)
http://www.selleckchem.com/products/demeclocycline-hci.html

>  <CAS Number> (3,837)
64-73-3

$$$$
Cyclobenzaprine HCl.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5194    7.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6730    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0691    3.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6765    4.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8879    5.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.4945    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
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 11  5  1  0  0  0  0
  1 12  1  0  0  0  0
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 15  2  1  0  0  0  0
  3 16  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  CFW  17 B_NG_STER 2
M  END
>  <Mol_ID> (3,838)
3838

>  <Formula> (3,838)
C20H22ClN

>  <MolWeight> (3,838)
311.84838

>  <Item Name> (3,838)
Cyclobenzaprine HCl

>  <Catalog Number> (3,838)
S4283

>  <Synonyms> (3,838)
N/A

>  <Target> (3,838)
5-HT Receptor

>  <Form> (3,838)
Hydrochloride

>  <URL> (3,838)
http://www.selleckchem.com/products/cyclobenzaprine-hci.html

>  <CAS Number> (3,838)
6202-23-9

$$$$
Anidulafungin.cdx
csChFnd80/10101813242D

 82 88  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,839)
3839

>  <Formula> (3,839)
C58H73N7O17

>  <MolWeight> (3,839)
1140.23692

>  <Item Name> (3,839)
Anidulafungin (LY303366)

>  <Catalog Number> (3,839)
S4286

>  <Synonyms> (3,839)
N/A

>  <Target> (3,839)
Antifection

>  <Form> (3,839)
Free Base

>  <URL> (3,839)
http://www.selleckchem.com/products/anidulafungin-ly303366.html

>  <CAS Number> (3,839)
166663-25-8

$$$$
Chloroambucil.cdx
csChFnd80/10101813242D

 19 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> (3,840)
3840

>  <Formula> (3,840)
C14H19Cl2NO2

>  <MolWeight> (3,840)
304.21216

>  <Item Name> (3,840)
Chloroambucil

>  <Catalog Number> (3,840)
S4288

>  <Synonyms> (3,840)
Chlorambucil

>  <Target> (3,840)
DNA/RNA Synthesis

>  <Form> (3,840)
Free Base

>  <URL> (3,840)
http://www.selleckchem.com/products/chloroambucil.html

>  <CAS Number> (3,840)
305-03-3

$$$$
Bambuterol HCl.cdx
csChFnd80/10101813242D

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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,841)
3841

>  <Formula> (3,841)
C18H30ClN3O5

>  <MolWeight> (3,841)
403.9009

>  <Item Name> (3,841)
Bambuterol HCl

>  <Catalog Number> (3,841)
S4277

>  <Synonyms> (3,841)
N/A

>  <Target> (3,841)
Adrenergic Receptor

>  <Form> (3,841)
Hydrochloride

>  <URL> (3,841)
http://www.selleckchem.com/products/bambuterol-hci.html

>  <CAS Number> (3,841)
81732-46-9

$$$$
Promethazine hydrochloride.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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 16 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,842)
3842

>  <Formula> (3,842)
C17H21ClN2S

>  <MolWeight> (3,842)
320.88004

>  <Item Name> (3,842)
Promethazine HCl

>  <Catalog Number> (3,842)
S4293

>  <Synonyms> (3,842)
N/A

>  <Target> (3,842)
Histamine Receptor

>  <Form> (3,842)
Hydrochloride

>  <URL> (3,842)
http://www.selleckchem.com/products/promethazine-hcl.html

>  <CAS Number> (3,842)
58-33-3

$$$$
MetoclopraMide HCl.cdx
csChFnd80/10101813242D

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,843)
3843

>  <Formula> (3,843)
C14H23Cl2N3O2

>  <MolWeight> (3,843)
336.25732

>  <Item Name> (3,843)
MetoclopraMide HCl

>  <Catalog Number> (3,843)
S4289

>  <Synonyms> (3,843)
N/A

>  <Target> (3,843)
Dopamine Receptor

>  <Form> (3,843)
Hydrochloride

>  <URL> (3,843)
http://www.selleckchem.com/products/metoclopramide-hcl.html

>  <CAS Number> (3,843)
7232-21-5

$$$$
Rotigotine.cdx
csChFnd80/10101813242D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,844)
3844

>  <Formula> (3,844)
C19H25NOS

>  <MolWeight> (3,844)
315.4729

>  <Item Name> (3,844)
Rotigotine

>  <Catalog Number> (3,844)
S4274

>  <Synonyms> (3,844)
N/A

>  <Target> (3,844)
Dopamine Receptor

>  <Form> (3,844)
Free Base

>  <URL> (3,844)
http://www.selleckchem.com/products/rotigotine.html

>  <CAS Number> (3,844)
99755-59-6

$$$$
Diphenidol hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,845)
3845

>  <Formula> (3,845)
C21H28ClNO

>  <MolWeight> (3,845)
345.90612

>  <Item Name> (3,845)
Diphenidol HCl

>  <Catalog Number> (3,845)
S4292

>  <Synonyms> (3,845)
N/A

>  <Target> (3,845)
AChR

>  <Form> (3,845)
Hydrochloride

>  <URL> (3,845)
http://www.selleckchem.com/products/diphenidol-hcl.html

>  <CAS Number> (3,845)
3254-89-5

$$$$
Digoxin .cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,846)
3846

>  <Formula> (3,846)
C41H64O14

>  <MolWeight> (3,846)
780.93846

>  <Item Name> (3,846)
Digoxin

>  <Catalog Number> (3,846)
S4290

>  <Synonyms> (3,846)
N/A

>  <Target> (3,846)
Sodium Channel

>  <Form> (3,846)
Free Base

>  <URL> (3,846)
http://www.selleckchem.com/products/digoxin.html

>  <CAS Number> (3,846)
20830-75-5

$$$$
Dicoumarol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,847)
3847

>  <Formula> (3,847)
C19H12O6

>  <MolWeight> (3,847)
336.29498

>  <Item Name> (3,847)
Dicoumarol

>  <Catalog Number> (3,847)
S4299

>  <Synonyms> (3,847)
Dicumarol

>  <Target> (3,847)
Others

>  <Form> (3,847)
Free Base

>  <URL> (3,847)
http://www.selleckchem.com/products/dicoumarol.html

>  <CAS Number> (3,847)
66-76-2

$$$$
Procainamide hydrochloride.cdx
csChFnd80/10101813242D

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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   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
    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 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
    5.0761    4.9980    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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,848)
3848

>  <Formula> (3,848)
C13H22ClN3O

>  <MolWeight> (3,848)
271.78628

>  <Item Name> (3,848)
Procainamide HCl

>  <Catalog Number> (3,848)
S4294

>  <Synonyms> (3,848)
N/A

>  <Target> (3,848)
Sodium Channel

>  <Form> (3,848)
Hydrochloride

>  <URL> (3,848)
http://www.selleckchem.com/products/procainamide-hcl.html

>  <CAS Number> (3,848)
614-39-1

$$$$
Labetalol hydrochloride.cdx
csChFnd80/10101813242D

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.9680    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    2.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.9680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.2680    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9119    2.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.1680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3236    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  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  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 11 19  1  0  0  0  0
 14 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 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,849)
3849

>  <Formula> (3,849)
C19H25ClN2O3

>  <MolWeight> (3,849)
364.8664

>  <Item Name> (3,849)
Labetalol HCl

>  <Catalog Number> (3,849)
S4291

>  <Synonyms> (3,849)
N/A

>  <Target> (3,849)
Adrenergic Receptor

>  <Form> (3,849)
Hydrochloride

>  <URL> (3,849)
http://www.selleckchem.com/products/labetalol-hcl.html

>  <CAS Number> (3,849)
32780-64-6

$$$$
Meclofenamate sodium.cdx
csChFnd80/10101813242D

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    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
    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
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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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    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  6 16  1  0  0  0  0
  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> (3,850)
3850

>  <Formula> (3,850)
C14H10Cl2NNaO2

>  <MolWeight> (3,850)
318.13047

>  <Item Name> (3,850)
Meclofenamate sodium

>  <Catalog Number> (3,850)
S4295

>  <Synonyms> (3,850)
N/A

>  <Target> (3,850)
COX

>  <Form> (3,850)
Sodium Salt

>  <URL> (3,850)
http://www.selleckchem.com/products/meclofenamate-sodium.html

>  <CAS Number> (3,850)
6385-02-0

$$$$
Mefloquine hydrochloride.cdx
csChFnd80/10101813242D

 28 29  0  0  0  0  0  0  0  0999 V2000
    9.3903    5.0511    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1702    6.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    5.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728    4.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898    5.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    6.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3908    7.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    4.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167    5.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0257    6.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172    7.6378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2349    7.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8707    6.3798    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4809    8.2578    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9635    2.6800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  1  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
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  6  0  0  0
M  END
>  <Mol_ID> (3,851)
3851

>  <Formula> (3,851)
C17H17ClF6N2O

>  <MolWeight> (3,851)
414.7730992

>  <Item Name> (3,851)
Mefloquine HCl

>  <Catalog Number> (3,851)
S4420

>  <Synonyms> (3,851)
N/A

>  <Target> (3,851)
Antifection

>  <Form> (3,851)
Hydrochloride

>  <URL> (3,851)
http://www.selleckchem.com/products/mefloquine-hcl.html

>  <CAS Number> (3,851)
51773-92-3

$$$$
Aliskiren hemifumarate.cdx
csChFnd80/10101813242D

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   14.5577    7.5122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,852)
3852

>  <Formula> (3,852)
C64H110N6O16

>  <MolWeight> (3,852)
1219.5888

>  <Item Name> (3,852)
Aliskiren Hemifumarate

>  <Catalog Number> (3,852)
S2199

>  <Synonyms> (3,852)
N/A

>  <Target> (3,852)
RAAS

>  <Form> (3,852)
fumarate salt

>  <URL> (3,852)
http://www.selleckchem.com/products/Aliskiren-hemifumarate.html

>  <CAS Number> (3,852)
173334-58-2

$$$$
Bepotastine besilate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,853)
3853

>  <Formula> (3,853)
C27H31ClN2O6S

>  <MolWeight> (3,853)
547.06284

>  <Item Name> (3,853)
Bepotastine Besilate

>  <Catalog Number> (3,853)
S3037

>  <Synonyms> (3,853)
N/A

>  <Target> (3,853)
Histamine Receptor

>  <Form> (3,853)
Besilate salt

>  <URL> (3,853)
http://www.selleckchem.com/products/bepotastine-besilate.html

>  <CAS Number> (3,853)
190786-44-8

$$$$
Daptomycin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,854)
3854

>  <Formula> (3,854)
C72H101N17O26

>  <MolWeight> (3,854)
1620.67064

>  <Item Name> (3,854)
Daptomycin

>  <Catalog Number> (3,854)
S1373

>  <Synonyms> (3,854)
LY146032

>  <Target> (3,854)
Others

>  <Form> (3,854)
Free Base

>  <URL> (3,854)
http://www.selleckchem.com/products/Daptomycin.html

>  <CAS Number> (3,854)
103060-53-3

$$$$
Doripenem Hydrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,855)
3855

>  <Formula> (3,855)
C15H26N4O7S2

>  <MolWeight> (3,855)
438.51954

>  <Item Name> (3,855)
Doripenem Hydrate

>  <Catalog Number> (3,855)
S1374

>  <Synonyms> (3,855)
S-4661

>  <Target> (3,855)
Antifection

>  <Form> (3,855)
Hydrate

>  <URL> (3,855)
http://www.selleckchem.com/products/Doripenem-Hydrate.html

>  <CAS Number> (3,855)
364622-82-2

$$$$
Fesoterodine fumarate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,856)
3856

>  <Formula> (3,856)
C30H41NO7

>  <MolWeight> (3,856)
527.64904

>  <Item Name> (3,856)
Fesoterodine Fumarate

>  <Catalog Number> (3,856)
S2240

>  <Synonyms> (3,856)
N/A

>  <Target> (3,856)
AChR

>  <Form> (3,856)
Fumarate

>  <URL> (3,856)
http://www.selleckchem.com/products/Fesoterodine-fumarate-Toviaz.html

>  <CAS Number> (3,856)
286930-03-8

$$$$
Fosaprepitant dimeglumine.cdx
csChFnd80/10101813242D

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 58 67  1  6  0  0  0
M  END
>  <Mol_ID> (3,857)
3857

>  <Formula> (3,857)
C37H56F7N6O16P

>  <MolWeight> (3,857)
1004.8337234

>  <Item Name> (3,857)
Fosaprepitant dimeglumine salt

>  <Catalog Number> (3,857)
S3038

>  <Synonyms> (3,857)
MK-0517

>  <Target> (3,857)
Others

>  <Form> (3,857)
dimeglumine salt

>  <URL> (3,857)
http://www.selleckchem.com/products/fosaprepitant.html

>  <CAS Number> (3,857)
265121-04-8

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/10101813242D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    4.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1608    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  9 28  1  1  0  0  0
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M  END
>  <Mol_ID> (3,858)
3858

>  <Formula> (3,858)
C22H26ClF2NO4

>  <MolWeight> (3,858)
441.8959464

>  <Item Name> (3,858)
Nebivolol HCl

>  <Catalog Number> (3,858)
S1549

>  <Synonyms> (3,858)
N/A

>  <Target> (3,858)
Adrenergic Receptor

>  <Form> (3,858)
Hydrochloride

>  <URL> (3,858)
http://www.selleckchem.com/products/Nebivolol(Bystolic).html

>  <CAS Number> (3,858)
152520-56-4

$$$$
Ouabain Octahydrate.cdx
csChFnd80/10101813242D

 51 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,859)
3859

>  <Formula> (3,859)
C29H60O20

>  <MolWeight> (3,859)
728.7747

>  <Item Name> (3,859)
Ouabain

>  <Catalog Number> (3,859)
S4016

>  <Synonyms> (3,859)
N/A

>  <Target> (3,859)
Sodium Channel

>  <Form> (3,859)
Free Base

>  <URL> (3,859)
http://www.selleckchem.com/products/ouabain.html

>  <CAS Number> (3,859)
630-60-4

$$$$
Rosuvastatin calcium.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,860)
3860

>  <Formula> (3,860)
C44H54CaF2N6O12S2

>  <MolWeight> (3,860)
1001.1373664

>  <Item Name> (3,860)
Rosuvastatin Calcium

>  <Catalog Number> (3,860)
S2169

>  <Synonyms> (3,860)
ZD4522

>  <Target> (3,860)
HMG-CoA Reductase

>  <Form> (3,860)
Calcium salt

>  <URL> (3,860)
http://www.selleckchem.com/products/Rosuvastatin-calcium(Crestor).html

>  <CAS Number> (3,860)
147098-20-2

$$$$
R-Ruxolitinib.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,861)
3861

>  <Formula> (3,861)
C17H18N6

>  <MolWeight> (3,861)
306.36502

>  <Item Name> (3,861)
Ruxolitinib (INCB018424)

>  <Catalog Number> (3,861)
S1378

>  <Synonyms> (3,861)
N/A

>  <Target> (3,861)
JAK

>  <Form> (3,861)
Free Base

>  <URL> (3,861)
http://www.selleckchem.com/products/INCB18424.html

>  <CAS Number> (3,861)
941678-49-5

$$$$
Temsirolimus.cdx
csChFnd80/10101813242D

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mTOR

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Free Base

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

>  <CAS Number> (3,862)
162635-04-3

$$$$
Mupirocin .cdx
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http://www.selleckchem.com/products/mupirocin.html

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12650-69-0

$$$$
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AChR

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Free Base

>  <URL> (3,864)
http://www.selleckchem.com/products/nitenpyram.html

>  <CAS Number> (3,864)
150824-47-8

$$$$
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>  <Mol_ID> (3,865)
3865

>  <Formula> (3,865)
C36H45NO7

>  <MolWeight> (3,865)
603.745

>  <Item Name> (3,865)
Salmeterol Xinafoate

>  <Catalog Number> (3,865)
S4296

>  <Synonyms> (3,865)
N/A

>  <Target> (3,865)
Adrenergic Receptor

>  <Form> (3,865)
xinafoate

>  <URL> (3,865)
http://www.selleckchem.com/products/salmeterol-xinafoate.html

>  <CAS Number> (3,865)
94749-08-3

$$$$
PD128907.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,866)
3866

>  <Formula> (3,866)
C14H20ClNO3

>  <MolWeight> (3,866)
285.7665

>  <Item Name> (3,866)
PD128907 HCl

>  <Catalog Number> (3,866)
S2168

>  <Synonyms> (3,866)
PD128907

>  <Target> (3,866)
Dopamine Receptor

>  <Form> (3,866)
Hydrochloride

>  <URL> (3,866)
http://www.selleckchem.com/products/PD-128907.html

>  <CAS Number> (3,866)
112960-16-4

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,867)
3867

>  <Formula> (3,867)
C25H31N7O6

>  <MolWeight> (3,867)
525.55694

>  <Item Name> (3,867)
ENMD-2076 L-(+)-Tartaric acid

>  <Catalog Number> (3,867)
S2018

>  <Synonyms> (3,867)
N/A

>  <Target> (3,867)
FLT3

>  <Form> (3,867)
Free Base

>  <URL> (3,867)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

>  <CAS Number> (3,867)
1291074-87-7

$$$$
Tubacin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,868)
3868

>  <Formula> (3,868)
C41H43N3O7S

>  <MolWeight> (3,868)
721.86102

>  <Item Name> (3,868)
Tubacin

>  <Catalog Number> (3,868)
S2239

>  <Synonyms> (3,868)
N/A

>  <Target> (3,868)
HDAC

>  <Form> (3,868)
Free Base

>  <URL> (3,868)
http://www.selleckchem.com/products/Tubacin.html

>  <CAS Number> (3,868)
537049-40-4

$$$$
(R)-Nepicastat HCL(RS-25560-198).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,869)
3869

>  <Formula> (3,869)
C14H16ClF2N3S

>  <MolWeight> (3,869)
331.8117464

>  <Item Name> (3,869)
(R)-Nepicastat HCl

>  <Catalog Number> (3,869)
S4926

>  <Synonyms> (3,869)
RS-25560-198 HCl

>  <Target> (3,869)
Hydroxylase

>  <Form> (3,869)
Hydrochloride

>  <URL> (3,869)
http://www.selleckchem.com/products/r-nepicastat-hcl.html

>  <CAS Number> (3,869)
195881-94-8

$$$$
Disopyramide Phosphate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,870)
3870

>  <Formula> (3,870)
C21H32N3O5P

>  <MolWeight> (3,870)
437.469641

>  <Item Name> (3,870)
Pentoxyverine Citrate

>  <Catalog Number> (3,870)
S4143

>  <Synonyms> (3,870)
Carbetapentane Citrate

>  <Target> (3,870)
AChR

>  <Form> (3,870)
Citrate

>  <URL> (3,870)
http://www.selleckchem.com/products/pentoxyverine-carbetapentane-citrate.html

>  <CAS Number> (3,870)
23142-01-0

$$$$
levobupivacaine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,871)
3871

>  <Formula> (3,871)
C18H29ClN2O

>  <MolWeight> (3,871)
324.88866

>  <Item Name> (3,871)
Levobupivacaine HCl

>  <Catalog Number> (3,871)
S4061

>  <Synonyms> (3,871)
N/A

>  <Target> (3,871)
Sodium Channel

>  <Form> (3,871)
Hydrochloride

>  <URL> (3,871)
http://www.selleckchem.com/products/lvobupivacaine-hcl.html

>  <CAS Number> (3,871)
27262-48-2

$$$$
Ketorolac.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,872)
3872

>  <Formula> (3,872)
C15H13NO3

>  <MolWeight> (3,872)
255.26862

>  <Item Name> (3,872)
Ketorolac

>  <Catalog Number> (3,872)
S1646

>  <Synonyms> (3,872)
N/A

>  <Target> (3,872)
COX

>  <Form> (3,872)
Free Base

>  <URL> (3,872)
http://www.selleckchem.com/products/Ketorolac-Tromethamine(Toradol).html

>  <CAS Number> (3,872)
74103-07-4

$$$$
ACILAC (lactulose).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,873)
3873

>  <Formula> (3,873)
C12H22O11

>  <MolWeight> (3,873)
342.29648

>  <Item Name> (3,873)
Lactulose

>  <Catalog Number> (3,873)
S1511

>  <Synonyms> (3,873)
N/A

>  <Target> (3,873)
Others

>  <Form> (3,873)
Free Base

>  <URL> (3,873)
http://www.selleckchem.com/products/Lactulose(Enulose).html

>  <CAS Number> (3,873)
4618-18-2

$$$$
WAY 100635 meleate.cdx
csChFnd80/10101813242D

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C29H38N4O6

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WAY-100635 Maleate

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S2663

>  <Synonyms> (3,874)
N/A

>  <Target> (3,874)
5-HT Receptor

>  <Form> (3,874)
Maleate

>  <URL> (3,874)
http://www.selleckchem.com/products/way-100635.html

>  <CAS Number> (3,874)
1092679-51-0

$$$$
PF-2341066.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,875)
3875

>  <Formula> (3,875)
C21H22Cl2FN5O

>  <MolWeight> (3,875)
450.3366832

>  <Item Name> (3,875)
Crizotinib (PF-02341066)

>  <Catalog Number> (3,875)
S1068

>  <Synonyms> (3,875)
N/A 

>  <Target> (3,875)
c-Met, ALK

>  <Form> (3,875)
Free Base

>  <URL> (3,875)
http://www.selleckchem.com/products/PF-2341066.html

>  <CAS Number> (3,875)
877399-52-5, 877399-53-6 (acetate)

$$$$
Eltrombopag diethanolamine salt.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,876)
3876

>  <Formula> (3,876)
C29H36N6O6

>  <MolWeight> (3,876)
564.63274

>  <Item Name> (3,876)
Eltrombopag olamine

>  <Catalog Number> (3,876)
S2229

>  <Synonyms> (3,876)
SB-497115-GR, SB497115

>  <Target> (3,876)
Thrombin

>  <Form> (3,876)
diolamine

>  <URL> (3,876)
http://www.selleckchem.com/products/Eltrombopag-SB-497115-GR.html

>  <CAS Number> (3,876)
496775-62-3

$$$$
S4002.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,877)
3877

>  <Formula> (3,877)
C16H20F6N5O6P

>  <MolWeight> (3,877)
523.3240802

>  <Item Name> (3,877)
Sitagliptin phosphate monohydrate

>  <Catalog Number> (3,877)
S4002

>  <Synonyms> (3,877)
MK-0431

>  <Target> (3,877)
DPP-4

>  <Form> (3,877)
phosphate &monohydrate

>  <URL> (3,877)
http://www.selleckchem.com/products/Sitagliptin.html

>  <CAS Number> (3,877)
654671-77-9

$$$$
S3027.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,878)
3878

>  <Formula> (3,878)
C30H30CaO8

>  <MolWeight> (3,878)
558.6324

>  <Item Name> (3,878)
Fenoprofen calcium hydrate

>  <Catalog Number> (3,878)
S3027

>  <Synonyms> (3,878)
N/A

>  <Target> (3,878)
Immunology & Inflammation related

>  <Form> (3,878)
Calcium dihydrate salt

>  <URL> (3,878)
http://www.selleckchem.com/products/fenoprofen-calcium-hydrate.html

>  <CAS Number> (3,878)
71720-56-4

$$$$
S4059.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,879)
3879

>  <Formula> (3,879)
C5FeN6Na2O

>  <MolWeight> (3,879)
261.91764

>  <Item Name> (3,879)
Sodium Nitroprusside

>  <Catalog Number> (3,879)
S4059

>  <Synonyms> (3,879)
N/A

>  <Target> (3,879)
Others

>  <Form> (3,879)
Fe complex

>  <URL> (3,879)
http://www.selleckchem.com/products/sodium-nitroprusside.html

>  <CAS Number> (3,879)
14402-89-2

$$$$
Sertaconazole nitrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,880)
3880

>  <Formula> (3,880)
C20H16Cl3N3O4S

>  <MolWeight> (3,880)
500.78274

>  <Item Name> (3,880)
Sertaconazole nitrate

>  <Catalog Number> (3,880)
S3161

>  <Synonyms> (3,880)
FI-7045

>  <Target> (3,880)
Antifection

>  <Form> (3,880)
Nitrate

>  <URL> (3,880)
http://www.selleckchem.com/products/sertaconazole-nitrate.html

>  <CAS Number> (3,880)
99592-39-9

$$$$
S4503.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,881)
3881

>  <Formula> (3,881)
C18H32CaN2O10

>  <MolWeight> (3,881)
476.53208

>  <Item Name> (3,881)
Calcium D-Panthotenate

>  <Catalog Number> (3,881)
S4503

>  <Synonyms> (3,881)
D-Pantothenic Acid Calcium

>  <Target> (3,881)
Vitamin

>  <Form> (3,881)
Free Base

>  <URL> (3,881)
http://www.selleckchem.com/products/calcium-d-panthotenate.html

>  <CAS Number> (3,881)
137-08-6

$$$$
Gossypol-a ceticacid.cdx
csChFnd80/10101813242D

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3882

>  <Formula> (3,882)
C32H34O10

>  <MolWeight> (3,882)
578.60636

>  <Item Name> (3,882)
gossypol-Acetic acid

>  <Catalog Number> (3,882)
S2303

>  <Synonyms> (3,882)
Pogosin, AT101

>  <Target> (3,882)
Dehydrogenase

>  <Form> (3,882)
Acetate

>  <URL> (3,882)
http://www.selleckchem.com/products/Gossypol.html

>  <CAS Number> (3,882)
12542-36-8

$$$$
S1096-JNJ26481585.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,883)
3883

>  <Formula> (3,883)
C21H28Cl2N6O2

>  <MolWeight> (3,883)
467.39202

>  <Item Name> (3,883)
Quisinostat (JNJ-26481585) 2HCl

>  <Catalog Number> (3,883)
S1096

>  <Synonyms> (3,883)
N/A

>  <Target> (3,883)
HDAC

>  <Form> (3,883)
Dihydrochloride

>  <URL> (3,883)
http://www.selleckchem.com/products/JNJ-26481585.html

>  <CAS Number> (3,883)
875320-31-3

$$$$
BMS-599626 (AC480).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,884)
3884

>  <Formula> (3,884)
C27H27FN8O3

>  <MolWeight> (3,884)
530.5534832

>  <Item Name> (3,884)
AC480 (BMS-599626)

>  <Catalog Number> (3,884)
S1056

>  <Synonyms> (3,884)
N/A

>  <Target> (3,884)
HER2

>  <Form> (3,884)
Free Base

>  <URL> (3,884)
http://www.selleckchem.com/products/BMS-599626.html

>  <CAS Number> (3,884)
714971-09-2

$$$$
6-Mercaptopurine monohydrate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,885)
3885

>  <Formula> (3,885)
C5H6N4OS

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>  <Item Name> (3,885)
6-Mercaptopurine (6-MP) Monohydrate

>  <Catalog Number> (3,885)
S4504

>  <Synonyms> (3,885)
N/A

>  <Target> (3,885)
DNA/RNA Synthesis

>  <Form> (3,885)
Monohydrate

>  <URL> (3,885)
http://www.selleckchem.com/products/6-mercaptopurine-6-mp-monohydrate.html

>  <CAS Number> (3,885)
6112-76-1

$$$$
S1263.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,886)
3886

>  <Formula> (3,886)
C22H18Cl2N8

>  <MolWeight> (3,886)
465.33792

>  <Item Name> (3,886)
CHIR-99021 (CT99021)

>  <Catalog Number> (3,886)
S1263

>  <Synonyms> (3,886)
N/A

>  <Target> (3,886)
GSK-3

>  <Form> (3,886)
Free Base

>  <URL> (3,886)
http://www.selleckchem.com/products/CHIR-99021.html

>  <CAS Number> (3,886)
252917-06-9

$$$$
Vinblastine sulfate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,887)
3887

>  <Formula> (3,887)
C46H60N4O13S

>  <MolWeight> (3,887)
909.0526

>  <Item Name> (3,887)
Vinblastine sulfate

>  <Catalog Number> (3,887)
S4505

>  <Synonyms> (3,887)
NSC49842

>  <Target> (3,887)
Microtubule Associated

>  <Form> (3,887)
Free Base

>  <URL> (3,887)
http://www.selleckchem.com/products/vinblastine-sulfate.html

>  <CAS Number> (3,887)
143-67-9

$$$$
Acetazolamide.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,888)
3888

>  <Formula> (3,888)
C4H6N4O3S2

>  <MolWeight> (3,888)
222.24544

>  <Item Name> (3,888)
Acetazolamide

>  <Catalog Number> (3,888)
S4506

>  <Synonyms> (3,888)
Diamox

>  <Target> (3,888)
Carbonic Anhydrase

>  <Form> (3,888)
Free Base

>  <URL> (3,888)
http://www.selleckchem.com/products/acetazolamide.html

>  <CAS Number> (3,888)
59-66-5

$$$$
2,2,2-Tribromoethanol.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,889)
3889

>  <Formula> (3,889)
C2H3Br3O

>  <MolWeight> (3,889)
282.75662

>  <Item Name> (3,889)
2,2,2-Tribromoethanol

>  <Catalog Number> (3,889)
S4508

>  <Synonyms> (3,889)
TBE, Tribromoethanol

>  <Target> (3,889)
Others

>  <Form> (3,889)
Free Base

>  <CAS Number> (3,889)
75-80-9

$$$$
17-Hydroxyprogesterone.cdx
csChFnd80/10101813242D

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    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0387    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4081    6.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9584    4.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
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 17 12  1  0  0  0  0
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  5 25  1  1  0  0  0
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  9 27  1  1  0  0  0
M  END
>  <Mol_ID> (3,890)
3890

>  <Formula> (3,890)
C21H30O3

>  <MolWeight> (3,890)
330.4611

>  <Item Name> (3,890)
17-Hydroxyprogesterone

>  <Catalog Number> (3,890)
S4507

>  <Synonyms> (3,890)
N/A

>  <Target> (3,890)
Estrogen/progestogen Receptor

>  <Form> (3,890)
Free Base

>  <URL> (3,890)
http://www.selleckchem.com/products/17-hydroxyprogesterone.html

>  <CAS Number> (3,890)
68-96-2

$$$$
Chloroxylenol.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    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
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  2  3  1  0  0  0  0
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  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,891)
3891

>  <Formula> (3,891)
C8H9ClO

>  <MolWeight> (3,891)
156.60946

>  <Item Name> (3,891)
Chloroxylenol

>  <Catalog Number> (3,891)
S4518

>  <Synonyms> (3,891)
N/A

>  <Target> (3,891)
Antifection

>  <Form> (3,891)
Free Base

>  <URL> (3,891)
http://www.selleckchem.com/products/chloroxylenol.html

>  <CAS Number> (3,891)
88-04-0

$$$$
Cefotaxime sodium.cdx
csChFnd80/10101813242D

 32 33  0  0  0  0  0  0  0  0999 V2000
    9.7458    4.2280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7458    5.6329    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9570    3.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3343    4.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3343    5.6329    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9620    6.3353    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1824    4.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9570    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3444    3.2381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3444    6.6228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1849    5.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3948    3.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1657    1.4278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6054    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8168    2.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6298    5.7022    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3834    6.9851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2159    1.2189    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  0  0  0  0
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  2  6  1  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
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  6 11  1  0  0  0  0
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  7 11  1  0  0  0  0
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 27 30  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,892)
3892

>  <Formula> (3,892)
C16H16N5NaO7S2

>  <MolWeight> (3,892)
477.44731

>  <Item Name> (3,892)
Cefotaxime sodium

>  <Catalog Number> (3,892)
S4517

>  <Synonyms> (3,892)
N/A

>  <Target> (3,892)
Antifection

>  <Form> (3,892)
Sodium Salt

>  <URL> (3,892)
http://www.selleckchem.com/products/cefotaxime-sodium.html

>  <CAS Number> (3,892)
64485-93-4

$$$$
6-Benzylaminopurine.cdx
csChFnd80/10101813242D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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    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
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    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
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  5  6  2  0  0  0  0
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  5  7  1  0  0  0  0
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  9 10  2  0  0  0  0
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 13 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,893)
3893

>  <Formula> (3,893)
C12H11N5

>  <MolWeight> (3,893)
225.24924

>  <Item Name> (3,893)
6-Benzylaminopurine

>  <Catalog Number> (3,893)
S4511

>  <Synonyms> (3,893)
N/A

>  <Target> (3,893)
Others

>  <Form> (3,893)
Free Base

>  <URL> (3,893)
http://www.selleckchem.com/products/6-benzylaminopurine.html

>  <CAS Number> (3,893)
1214-39-7

$$$$
4-Aminobenzoic acid.cdx
csChFnd80/10101813242D

 10 10  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
    0.0000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,894)
3894

>  <Formula> (3,894)
C7H7NO2

>  <MolWeight> (3,894)
137.13598

>  <Item Name> (3,894)
4-Aminobenzoic acid

>  <Catalog Number> (3,894)
S4510

>  <Synonyms> (3,894)
para-Aminobenzoic acid

>  <Target> (3,894)
Others

>  <Form> (3,894)
Free Base

>  <URL> (3,894)
http://www.selleckchem.com/products/4-aminobenzoic-acid.html

>  <CAS Number> (3,894)
150-13-0

$$$$
Fenofibric acid.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
   10.8828    2.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0645    1.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6741    1.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1684    3.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6078    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2569    2.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0645    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4924    2.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2729    1.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4924    3.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    2.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2729    4.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    3.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8825    4.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8825    5.6346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6633    2.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2355    3.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4279    1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2355    2.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5470    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
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  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
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,895)
3895

>  <Formula> (3,895)
C17H15ClO4

>  <MolWeight> (3,895)
318.7516

>  <Item Name> (3,895)
Fenofibric acid

>  <Catalog Number> (3,895)
S4527

>  <Synonyms> (3,895)
NSC 281318, Trilipix, FNF acid

>  <Form> (3,895)
Free Base

>  <URL> (3,895)
http://www.selleckchem.com/products/fenofibric-acid.html

>  <CAS Number> (3,895)
42017-89-0

$$$$
Fenbufen.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
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Lederfen, CL-82204

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COX

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

>  <CAS Number> (3,896)
36330-85-5

$$$$
(-)-MK 801 maleate.cdx
csChFnd80/10101813242D

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C13737

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GluR

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maleate

>  <URL> (3,897)
http://www.selleckchem.com/products/--mk-801-maleate.html

>  <CAS Number> (3,897)
121917-57-5

$$$$
(-)-MK 801 maleate.cdx
csChFnd80/10101813242D

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>  <Item Name> (3,898)
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N/A

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GluR

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maleate

>  <URL> (3,898)
http://www.selleckchem.com/products/mk-801-maleate.html

>  <CAS Number> (3,898)
77086-22-7

$$$$
Pentamidine isethionate.cdx
csChFnd80/10101813242D

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>  <Item Name> (3,899)
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>  <Synonyms> (3,899)
N/A

>  <Target> (3,899)
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>  <URL> (3,899)
http://www.selleckchem.com/products/pentamidine-isethionate.html

>  <CAS Number> (3,899)
140-64-7

$$$$
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csChFnd80/10101813242D

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,900)
3900

>  <Formula> (3,900)
C17H18N3NaO3S

>  <MolWeight> (3,900)
367.39789

>  <Item Name> (3,900)
Esomeprazole sodium

>  <Catalog Number> (3,900)
S2233

>  <Synonyms> (3,900)
N/A

>  <Target> (3,900)
ATPase

>  <Form> (3,900)
Sodium salt

>  <URL> (3,900)
http://www.selleckchem.com/products/esomeprazole-sodium.html

>  <CAS Number> (3,900)
161796-78-7

$$$$
NEXIUM (esomeprazole magnesium).cdx
csChFnd80/10101813242D

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    2.4165    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    6.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9818    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7450    4.6735    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   10.6818    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0818    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7818    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0818    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7793    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1248    7.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1248    6.0412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3372    5.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5497    6.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5497    7.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3372    8.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7579    8.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9661    7.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7579    5.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3372    9.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9166    8.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7083    7.4412    0.0000 S   0  0  1  0  0  0  0  0  0  0  0  0
   12.5001    8.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7083    6.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3538    9.5311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9844    9.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2844    8.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212    7.5694    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   10.2844   11.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8844   11.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1844    9.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8844    8.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1868   12.2429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7868   12.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5731    6.2454    0.0000 Mg  0  2  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
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 33  1  0  0  0  0
 30 34  1  0  0  0  0
 25 35  1  0  0  0  0
 36 35  1  6  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 37  1  0  0  0  0
 40 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 41  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  1  0  0  0  0
M  END
>  <Mol_ID> (3,901)
3901

>  <Formula> (3,901)
C34H36MgN6O6S2

>  <MolWeight> (3,901)
713.12124

>  <Item Name> (3,901)
NEXIUM (esomeprazole magnesium)

>  <Catalog Number> (3,901)
S1743

>  <Synonyms> (3,901)
N/A

>  <Target> (3,901)
Proton Pump

>  <Form> (3,901)
Magnesium salt

>  <URL> (3,901)
http://www.selleckchem.com/products/nexium-esomeprazole-magnesium.html

>  <CAS Number> (3,901)
161973-10-0

$$$$
i-Inositol.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   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
    4.8497    4.2000    0.0000 O   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 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
  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
  6  8  1  1  0  0  0
  5  9  1  1  0  0  0
  3 10  1  1  0  0  0
  2 11  1  6  0  0  0
  4 12  1  6  0  0  0
M  END
>  <Mol_ID> (3,902)
3902

>  <Formula> (3,902)
C6H12O6

>  <MolWeight> (3,902)
180.15588

>  <Item Name> (3,902)
i-Inositol

>  <Catalog Number> (3,902)
S4530

>  <Synonyms> (3,902)
myo-inositol

>  <Target> (3,902)
Others

>  <Form> (3,902)
Free Base

>  <URL> (3,902)
http://www.selleckchem.com/products/i-inositol.html

>  <CAS Number> (3,902)
87-89-8

$$$$
Furazolidone.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.9282    2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1745    2.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6696    2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1742    4.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1836    3.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906    3.0085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5733    4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5638    2.9338    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2473    2.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0528    1.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4536    4.0081    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0317    0.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9819    2.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6567    0.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0325    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,903)
3903

>  <Formula> (3,903)
C8H7N3O5

>  <MolWeight> (3,903)
225.15828

>  <Item Name> (3,903)
Furazolidone

>  <Catalog Number> (3,903)
S4528

>  <Synonyms> (3,903)
N/A

>  <Target> (3,903)
Antifection

>  <Form> (3,903)
Free Base

>  <URL> (3,903)
http://www.selleckchem.com/products/furazolidone.html

>  <CAS Number> (3,903)
67-45-8

$$$$
Citric acid trilithium salt tetrahydrate.cdx
csChFnd80/10101813242D

 20 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    4.8497    3.5000    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    4.9000    0.0000 O   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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    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
    6.0622    0.0000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3113   28.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5890   28.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4502   18.7078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7279   18.7078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  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
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  2  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,904)
3904

>  <Formula> (3,904)
C6H13Li3O11

>  <MolWeight> (3,904)
281.98382

>  <Item Name> (3,904)
Citric acid trilithium salt tetrahydrate

>  <Catalog Number> (3,904)
S4519

>  <Synonyms> (3,904)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (3,904)
Others

>  <Form> (3,904)
Free Base

>  <URL> (3,904)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

>  <CAS Number> (3,904)
6080-58-6

$$$$
4-Aminoantipyrine.cdx
csChFnd80/10101813242D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4537    4.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4537    2.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3297    5.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5804    5.0510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2574    2.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610    6.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457    6.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    4.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2619    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276    7.5039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9579    7.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4662    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  1  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  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,905)
3905

>  <Formula> (3,905)
C11H13N3O

>  <MolWeight> (3,905)
203.24042

>  <Item Name> (3,905)
4-Aminoantipyrine

>  <Catalog Number> (3,905)
S4509

>  <Synonyms> (3,905)
Ampyrone, NSC 60242, Metapirazone, Solnapyrin-A, Solvapyrin-A, Minoazophene, Aminoazophene, Aminoanti

>  <Target> (3,905)
Orhers

>  <Form> (3,905)
Free Base

>  <URL> (3,905)
http://www.selleckchem.com/products/4-aminoantipyrine.html

>  <CAS Number> (3,905)
83-07-8

$$$$
Ethylparaben.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2746    2.8000    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,906)
3906

>  <Formula> (3,906)
C9H10O3

>  <MolWeight> (3,906)
166.1739

>  <Item Name> (3,906)
Ethylparaben

>  <Catalog Number> (3,906)
S4525

>  <Synonyms> (3,906)
Ethyl parahydroxybenzoate, Ethyl 4-hydroxybenzoate

>  <Target> (3,906)
Antifection

>  <Form> (3,906)
Free Base

>  <URL> (3,906)
http://www.selleckchem.com/products/ethylparaben.html

>  <CAS Number> (3,906)
120-47-8

$$$$
Iopamidol.cdx
csChFnd80/10101813242D

 31 31  0  0  0  0  0  0  0  0999 V2000
    6.0623    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    8.4001    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2001    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    4.2001    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    6.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6997    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5496    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 22 29  1  6  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,907)
3907

>  <Formula> (3,907)
C17H22I3N3O8

>  <MolWeight> (3,907)
777.08529

>  <Item Name> (3,907)
Iopamidol

>  <Catalog Number> (3,907)
S4532

>  <Synonyms> (3,907)
Iopamiro, Isovue, Iopamiron, Niopam, Solutrast

>  <Target> (3,907)
Others

>  <Form> (3,907)
Free Base

>  <URL> (3,907)
http://www.selleckchem.com/products/iopamidol.html

>  <CAS Number> (3,907)
60166-93-0

$$$$
Nitrofurantoin.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6116    2.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3338    2.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561    0.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    3.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3915    1.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4916    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    4.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    5.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252    4.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2029    6.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2674    5.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5738    6.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6590    5.4267    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.5015    6.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2217    4.1448    0.0000 O   0  5  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
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,908)
3908

>  <Formula> (3,908)
C8H6N4O5

>  <MolWeight> (3,908)
238.15704

>  <Item Name> (3,908)
Nitrofurantoin

>  <Catalog Number> (3,908)
S4536

>  <Synonyms> (3,908)
Macrodantin, Furadantine, Furadonine

>  <Target> (3,908)
Antifection

>  <Form> (3,908)
Free Base

>  <URL> (3,908)
http://www.selleckchem.com/products/nitrofurantoin.html

>  <CAS Number> (3,908)
67-20-9

$$$$
Dehydroacetic acid.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  3  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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,909)
3909

>  <Formula> (3,909)
C8H8O4

>  <MolWeight> (3,909)
168.14672

>  <Item Name> (3,909)
Dehydroacetic acid

>  <Catalog Number> (3,909)
S4522

>  <Synonyms> (3,909)
Biocide 470F, Methylacetopyronone

>  <Target> (3,909)
Antifection

>  <Form> (3,909)
Free Base

>  <URL> (3,909)
http://www.selleckchem.com/products/dehydroacetic-acid.html

>  <CAS Number> (3,909)
520-45-6

$$$$
Acetylleucine.cdx
csChFnd80/10101813242D

 13 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    1.2124    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
    0.0000    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1249    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  1  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  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
  1 13  1  6  0  0  0
M  END
>  <Mol_ID> (3,910)
3910

>  <Formula> (3,910)
C8H15NO3

>  <MolWeight> (3,910)
173.2096

>  <Item Name> (3,910)
Acetylleucine

>  <Catalog Number> (3,910)
S4514

>  <Synonyms> (3,910)
N-acetyl-L-leucine

>  <Target> (3,910)
Others

>  <Form> (3,910)
Free Base

>  <URL> (3,910)
http://www.selleckchem.com/products/acetylleucine.html

>  <CAS Number> (3,910)
99-15-0

$$$$
Aceglutamide.cdx
csChFnd80/10101813242D

 13 12  0  0  0  0  0  0  0  0999 V2000
    4.8382    3.4913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6296    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    2.1110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0502    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    3.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    1.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0502    5.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2724    3.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    2.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.5957    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  1  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  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,911)
3911

>  <Formula> (3,911)
C7H12N2O4

>  <MolWeight> (3,911)
188.18118

>  <Item Name> (3,911)
Aceglutamide

>  <Catalog Number> (3,911)
S4512

>  <Synonyms> (3,911)
¦Á-N-Acetyl-L-glutamine, N2-Acetylglutamine

>  <Target> (3,911)
Others

>  <Form> (3,911)
Free Base

>  <URL> (3,911)
http://www.selleckchem.com/products/aceglutamide.html

>  <CAS Number> (3,911)
2490-97-3

$$$$
Bucetin.cdx
csChFnd80/10101813242D

 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> (3,912)
3912

>  <Formula> (3,912)
C12H17NO3

>  <MolWeight> (3,912)
223.26828

>  <Item Name> (3,912)
Bucetin

>  <Catalog Number> (3,912)
S4554

>  <Synonyms> (3,912)
N/A

>  <Target> (3,912)
Others

>  <Form> (3,912)
Free Base

>  <URL> (3,912)
http://www.selleckchem.com/products/bucetin.html

>  <CAS Number> (3,912)
1083-57-4

$$$$
Bithionol.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6453    3.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8577    4.1791    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0732    3.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    5.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4814    1.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1083    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2023    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2129    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4814    0.0199    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5058    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    5.6032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3604    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5081    2.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7182    4.1808    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3604    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
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
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  8 13  1  0  0  0  0
  8 11  2  0  0  0  0
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  9 15  1  0  0  0  0
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 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,913)
3913

>  <Formula> (3,913)
C12H6Cl4O2S

>  <MolWeight> (3,913)
356.05184

>  <Item Name> (3,913)
Bithionol

>  <Catalog Number> (3,913)
S4552

>  <Synonyms> (3,913)
Actamer

>  <Target> (3,913)
cAMP

>  <Form> (3,913)
Free Base

>  <URL> (3,913)
http://www.selleckchem.com/products/bithionol.html

>  <CAS Number> (3,913)
97-18-7

$$$$
Resorcinol.cdx
csChFnd80/10101813242D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4183    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    2.0859    0.0000 C   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
    3.6276    2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183    2.7913    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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,914)
3914

>  <Formula> (3,914)
C6H6O2

>  <MolWeight> (3,914)
110.11064

>  <Item Name> (3,914)
Resorcinol

>  <Catalog Number> (3,914)
S4579

>  <Synonyms> (3,914)
m-dihydroxybenzene, 3-hydroxyphenol

>  <Target> (3,914)
Antifection

>  <Form> (3,914)
Free Base

>  <URL> (3,914)
http://www.selleckchem.com/products/resorcinol.html

>  <CAS Number> (3,914)
108-46-3

$$$$
Aminoguanidine (hydrochloride).cdx
csChFnd80/10101813242D

  6  4  0  0  0  0  0  0  0  0999 V2000
    2.4247    0.4238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.5235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.1238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    0.0000    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
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
M  END
>  <Mol_ID> (3,915)
3915

>  <Formula> (3,915)
CH7ClN4

>  <MolWeight> (3,915)
110.54608

>  <Item Name> (3,915)
Aminoguanidine (hydrochloride)

>  <Catalog Number> (3,915)
S4548

>  <Synonyms> (3,915)
Pimagedine, Guanyl hydrazine, Hydrazinecarboximidamide, Imino semicarbazide, Monoaminoguanidine

>  <Target> (3,915)
Others

>  <Form> (3,915)
hydrochloride

>  <URL> (3,915)
http://www.selleckchem.com/products/aminoguanidine-hydrochloride.html

>  <CAS Number> (3,915)
1937-19-5

$$$$
Diethylcarbamazine (citrate).cdx
csChFnd80/10101813242D

 27 26  0  0  0  0  0  0  0  0999 V2000
    3.6248    2.6912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372    3.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144    1.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3991    3.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493    2.6914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372    4.7916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152    0.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879    2.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493    1.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2629    0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4739    2.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8082    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0206    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2330    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0206    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4455    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6579    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8703    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2330    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6579    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0828    0.7000    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
  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
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  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
 11 14  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
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,916)
3916

>  <Formula> (3,916)
C16H29N3O8

>  <MolWeight> (3,916)
391.41676

>  <Item Name> (3,916)
Diethylcarbamazine (citrate)

>  <Catalog Number> (3,916)
S4564

>  <Synonyms> (3,916)
N/A

>  <Target> (3,916)
Antifection

>  <Form> (3,916)
Free Base

>  <URL> (3,916)
http://www.selleckchem.com/products/diethylcarbamazine-citrate.html

>  <CAS Number> (3,916)
1642-54-2

$$$$
Danthron.cdx
csChFnd80/10101813242D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4399    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  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  2  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,917)
3917

>  <Formula> (3,917)
C14H8O4

>  <MolWeight> (3,917)
240.21092

>  <Item Name> (3,917)
Danthron

>  <Catalog Number> (3,917)
S4561

>  <Synonyms> (3,917)
chrysazin, Antrapurol

>  <Target> (3,917)
Others

>  <Form> (3,917)
Free Base

>  <URL> (3,917)
http://www.selleckchem.com/products/danthron.html

>  <CAS Number> (3,917)
117-10-2

$$$$
Trihexyphenidyl (hydrochloride).cdx
csChFnd80/10101813242D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.0702    3.6253    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7702    4.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702    2.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552    4.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    2.9268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1728    4.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0743    6.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9863    2.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    1.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6427    3.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8831    6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7849    7.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2782    1.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    4.3268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1864    7.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9740    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2147    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    5.7343    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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  2  6  2  0  0  0  0
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  3  9  1  0  0  0  0
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  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,918)
3918

>  <Formula> (3,918)
C20H32ClNO

>  <MolWeight> (3,918)
337.92718

>  <Item Name> (3,918)
Trihexyphenidyl hydrochloride

>  <Catalog Number> (3,918)
S4542

>  <Synonyms> (3,918)
Benzhexol hydrochloride, Artane hydrochloride

>  <Target> (3,918)
AChR

>  <Form> (3,918)
hydrochloride

>  <URL> (3,918)
http://www.selleckchem.com/products/trihexyphenidyl-hydrochloride.html

>  <CAS Number> (3,918)
52-49-3

$$$$
Trimetazidine (dihydrochloride).cdx
csChFnd80/10101813242D

 21 20  0  0  0  0  0  0  0  0999 V2000
    3.2683    4.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2660    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0571    4.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4819    4.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4773    2.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0524    2.1060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0594    6.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6932    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6909    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    0.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8412    2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730    7.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481    7.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9022    2.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6863    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2753    8.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8504    8.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1158    2.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640    9.1060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   11.9957    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9957    0.0000 Cl  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
  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
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,919)
3919

>  <Formula> (3,919)
C14H24Cl2N2O3

>  <MolWeight> (3,919)
339.25796

>  <Item Name> (3,919)
Trimetazidine dihydrochloride

>  <Catalog Number> (3,919)
S4543

>  <Synonyms> (3,919)
Yoshimilon, Kyurinett, Vastarel F

>  <Target> (3,919)
Others

>  <Form> (3,919)
Dihydrochloride

>  <URL> (3,919)
http://www.selleckchem.com/products/trimetazidine-dihydrochloride.html

>  <CAS Number> (3,919)
13171-25-0

$$$$
Salicylic acid.cdx
csChFnd80/10101813242D

 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> (3,920)
3920

>  <Formula> (3,920)
C7H6O3

>  <MolWeight> (3,920)
138.12074

>  <Item Name> (3,920)
Salicylic acid

>  <Catalog Number> (3,920)
S4539

>  <Synonyms> (3,920)
2-Hydroxybenzoic acid

>  <Target> (3,920)
COX

>  <Form> (3,920)
Free Base

>  <URL> (3,920)
http://www.selleckchem.com/products/salicylic-acid.html

>  <CAS Number> (3,920)
69-72-7

$$$$
Methylene Blue.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    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
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2746    3.5000    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
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    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
    1.2124    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
    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 N   0  3  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
   11.0477    3.0335    0.0000 Cl  0  5  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
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,921)
3921

>  <Formula> (3,921)
C16H18ClN3S

>  <MolWeight> (3,921)
319.85222

>  <Item Name> (3,921)
Methylene Blue

>  <Catalog Number> (3,921)
S4535

>  <Synonyms> (3,921)
Basic Blue 9, Tetramethylthionine chloride, methylthioninium chloride, CI-52015

>  <Target> (3,921)
Others

>  <Form> (3,921)
Free Base

>  <URL> (3,921)
http://www.selleckchem.com/products/methylene-blue.html

>  <CAS Number> (3,921)
61-73-4

$$$$
Idramantone.cdx
csChFnd80/10101813242D

 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> (3,922)
3922

>  <Formula> (3,922)
C10H14O2

>  <MolWeight> (3,922)
166.21696

>  <Item Name> (3,922)
Idramantone

>  <Catalog Number> (3,922)
S4529

>  <Synonyms> (3,922)
Kemantane, 5-Hydroxy-2-adamantanone

>  <Target> (3,922)
Immunology & Inflammation related

>  <Form> (3,922)
Free Base

>  <URL> (3,922)
http://www.selleckchem.com/products/idramantone.html

>  <CAS Number> (3,922)
20098-14-0

$$$$
Carsalam.cdx
csChFnd80/10101813242D

 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> (3,923)
3923

>  <Formula> (3,923)
C8H5NO3

>  <MolWeight> (3,923)
163.1302

>  <Item Name> (3,923)
Carsalam

>  <Catalog Number> (3,923)
S4555

>  <Synonyms> (3,923)
Carbonylsalicylamide

>  <Target> (3,923)
Antifection

>  <Form> (3,923)
Free Base

>  <URL> (3,923)
http://www.selleckchem.com/products/carsalam.html

>  <CAS Number> (3,923)
2037-95-8

$$$$
S4571 Hexylresorcinol.cdx
csChFnd80/10101813242D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6570    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    3.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8693    1.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2952    1.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5082    2.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7201    1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9325    2.1157    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
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,924)
3924

>  <Formula> (3,924)
C12H18O2

>  <MolWeight> (3,924)
194.27012

>  <Item Name> (3,924)
Hexylresorcinol

>  <Catalog Number> (3,924)
S4571

>  <Synonyms> (3,924)
4-Hexylresorcinol

>  <Target> (3,924)
Tyrosinase

>  <Form> (3,924)
Free Base

>  <URL> (3,924)
http://www.selleckchem.com/products/hexylresorcinol.html

>  <CAS Number> (3,924)
136-77-6

$$$$
S4569 Fluphenazine (dihydrochloride).cdx
csChFnd80/10101813242D

 32 33  0  0  0  0  0  0  0  0999 V2000
   12.2829    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0855    2.8089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2748    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5086    2.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8512    2.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1015    4.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0571    0.0008    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4522    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7060    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8475    0.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6496    2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3233    4.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7069    0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9072    2.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6338    0.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4235    2.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3391    6.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1345    3.8854    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.8901    1.7461    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9691    3.6511    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4073    0.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5318    6.9597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7332    6.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5480    8.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9550    6.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7698    9.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9713    8.3391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1978    9.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4072    8.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6330    8.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   29.1129    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   29.1129    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  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  2  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 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,925)
3925

>  <Formula> (3,925)
C22H28Cl2F3N3OS

>  <MolWeight> (3,925)
510.4434296

>  <Item Name> (3,925)
Fluphenazine (dihydrochloride)

>  <Catalog Number> (3,925)
S4569

>  <Synonyms> (3,925)
Prolixin

>  <Target> (3,925)
Dopamine Receptor

>  <Form> (3,925)
dihydrochloride

>  <URL> (3,925)
http://www.selleckchem.com/products/fluphenazine-dihydrochloride.html

>  <CAS Number> (3,925)
146-56-5

$$$$
S4566 DL-Panthenol.cdx
csChFnd80/10101813242D

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.3124    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,926)
3926

>  <Formula> (3,926)
C9H19NO4

>  <MolWeight> (3,926)
205.25146

>  <Item Name> (3,926)
DL-Panthenol

>  <Catalog Number> (3,926)
S4566

>  <Synonyms> (3,926)
DL-Pantothenol, DL-Pantothenyl alcohol

>  <Target> (3,926)
Others

>  <Form> (3,926)
Free Base

>  <URL> (3,926)
http://www.selleckchem.com/products/dl-panthenol.html

>  <CAS Number> (3,926)
16485-10-2

$$$$
S4565 Diiodohydroxyquinoline.cdx
csChFnd80/10101813242D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6213    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    3.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,927)
3927

>  <Formula> (3,927)
C9H5I2NO

>  <MolWeight> (3,927)
396.95104

>  <Item Name> (3,927)
Diiodohydroxyquinoline

>  <Catalog Number> (3,927)
S4565

>  <Synonyms> (3,927)
Iodoquinol

>  <Target> (3,927)
Antifection

>  <Form> (3,927)
Free Base

>  <URL> (3,927)
http://www.selleckchem.com/products/diiodohydroxyquinoline.html

>  <CAS Number> (3,927)
83-73-8

$$$$
S4559 Cloxiquine.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    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> (3,928)
3928

>  <Formula> (3,928)
C9H6ClNO

>  <MolWeight> (3,928)
179.60304

>  <Item Name> (3,928)
Cloxiquine

>  <Catalog Number> (3,928)
S4559

>  <Synonyms> (3,928)
5-Chloro-8-quinolinol, Dermofungin|

>  <Target> (3,928)
Antifection

>  <Form> (3,928)
Free Base

>  <URL> (3,928)
http://www.selleckchem.com/products/cloxiquine.html

>  <CAS Number> (3,928)
130-16-5

$$$$
S4558 Citiolone.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,929)
3929

>  <Formula> (3,929)
C6H9NO2S

>  <MolWeight> (3,929)
159.20616

>  <Item Name> (3,929)
Citiolone

>  <Catalog Number> (3,929)
S4558

>  <Synonyms> (3,929)
N/A

>  <Target> (3,929)
Others

>  <Form> (3,929)
Free Base

>  <URL> (3,929)
http://www.selleckchem.com/products/citiolone.html

>  <CAS Number> (3,929)
1195-16-0

$$$$
S4556 Carzenide.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.4038    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1944    3.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6109    3.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1979    4.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,930)
3930

>  <Formula> (3,930)
C7H7NO4S

>  <MolWeight> (3,930)
201.19978

>  <Item Name> (3,930)
Carzenide

>  <Catalog Number> (3,930)
S4556

>  <Synonyms> (3,930)
4-Sulfamoylbenzoic acid

>  <Target> (3,930)
Others

>  <Form> (3,930)
Free Base

>  <URL> (3,930)
http://www.selleckchem.com/products/carzenide.html

>  <CAS Number> (3,930)
138-41-0

$$$$
S4553 Bronopol.cdx
csChFnd80/10101813242D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.3422    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,931)
3931

>  <Formula> (3,931)
C3H6BrNO4

>  <MolWeight> (3,931)
199.98804

>  <Item Name> (3,931)
Bronopol

>  <Catalog Number> (3,931)
S4553

>  <Synonyms> (3,931)
N/A

>  <Target> (3,931)
Antifection

>  <Form> (3,931)
Free Base

>  <URL> (3,931)
http://www.selleckchem.com/products/bronopol.html

>  <CAS Number> (3,931)
52-51-7

$$$$
S4516 (+)-Camphor.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,932)
3932

>  <Formula> (3,932)
C10H16O

>  <MolWeight> (3,932)
152.23344

>  <Item Name> (3,932)
(+)-Camphor

>  <Catalog Number> (3,932)
S4516

>  <Synonyms> (3,932)
N/A

>  <Target> (3,932)
TRPV

>  <Form> (3,932)
Free Base

>  <URL> (3,932)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (3,932)
464-49-3

$$$$
S4594 Cephalothin.cdx
csChFnd80/10101813242D

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 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,933)
3933

>  <Formula> (3,933)
C16H15N2NaO6S2

>  <MolWeight> (3,933)
418.41987

>  <Item Name> (3,933)
Cephalothin

>  <Catalog Number> (3,933)
S4594

>  <Synonyms> (3,933)
Cefalotin

>  <Target> (3,933)
Antifection

>  <Form> (3,933)
Free Base

>  <URL> (3,933)
http://www.selleckchem.com/products/cephalothin.html

>  <CAS Number> (3,933)
58-71-9

$$$$
S4593 Chlormadinone acetate.cdx
csChFnd80/10101813242D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.5829    6.0647    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2530    5.6262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3672    4.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6204    7.0047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2956    7.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2530    4.2135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0109    6.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2384    7.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5926    3.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9502    6.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3448    8.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9702    7.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6241    3.5024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    1.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0304    4.9393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  6  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  1  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  2  0  0  0  0
  6 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 29  1  6  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 30  1  1  0  0  0
 14 17  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  6  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  1  0  0  0
 20 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (3,934)
3934

>  <Formula> (3,934)
C23H29ClO4

>  <MolWeight> (3,934)
404.92696

>  <Item Name> (3,934)
Chlormadinone acetate

>  <Catalog Number> (3,934)
S4593

>  <Synonyms> (3,934)
Gestafortin

>  <Target> (3,934)
Estrogen/progestogen

>  <Form> (3,934)
Free Base

>  <URL> (3,934)
http://www.selleckchem.com/products/chlormadinone-acetate.html

>  <CAS Number> (3,934)
302-22-7

$$$$
Terpin (hydrate).cdx
csChFnd80/10101813242D

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.1758    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882    2.1103    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9366    0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4116    2.5872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790    3.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6014    4.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7946    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7974    3.4865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1761    3.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2747    4.8026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6230    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  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
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  6  0  0  0
M  END
>  <Mol_ID> (3,935)
3935

>  <Formula> (3,935)
C10H22O3

>  <MolWeight> (3,935)
190.27988

>  <Item Name> (3,935)
Terpin (hydrate)

>  <Catalog Number> (3,935)
S4577

>  <Synonyms> (3,935)
N/A

>  <Target> (3,935)
Others

>  <Form> (3,935)
hydrate

>  <URL> (3,935)
http://www.selleckchem.com/products/terpin-hydrate.html

>  <CAS Number> (3,935)
2451-01-6

$$$$
Xylitol.cdx
csChFnd80/10101813242D

 10  9  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  2  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
    3.6373    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  2  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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,936)
3936

>  <Formula> (3,936)
C5H12O5

>  <MolWeight> (3,936)
152.14578

>  <Item Name> (3,936)
Xylitol

>  <Catalog Number> (3,936)
S4546

>  <Synonyms> (3,936)
Adonitol, Ribitol, Xylite, D-Xylitol, Adonite

>  <Target> (3,936)
Others

>  <Form> (3,936)
Free Base

>  <URL> (3,936)
http://www.selleckchem.com/products/xylitol.html

>  <CAS Number> (3,936)
87-99-0

$$$$
Urethane.cdx
csChFnd80/10101813242D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    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
    3.6373    0.7000    0.0000 C   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 O   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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,937)
3937

>  <Formula> (3,937)
C3H7NO2

>  <MolWeight> (3,937)
89.09318

>  <Item Name> (3,937)
Urethane

>  <Catalog Number> (3,937)
S4544

>  <Synonyms> (3,937)
Carbamic acid ethyl ester, Ethyl carbamate, Ethylurethane

>  <Target> (3,937)
Others

>  <Form> (3,937)
Free Base

>  <URL> (3,937)
http://www.selleckchem.com/products/urethane.html

>  <CAS Number> (3,937)
51-79-6

$$$$
S4597 Lercanidipine (hydrochloride).cdx
csChFnd80/10101813242D

 46 48  0  0  0  0  0  0  0  0999 V2000
    3.6428    5.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428    6.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631    7.2724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0636    6.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0636    5.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    4.4701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272    7.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272    8.6642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    6.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2817    7.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2817    8.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5012    6.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631    8.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    9.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   10.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617   11.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609   10.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    9.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   11.4570    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4138   12.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1870   10.7487    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2824    4.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    4.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7101    7.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4112    6.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9225    7.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0112    8.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8112    6.0620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5112    7.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5112    4.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9112    4.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6112    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9112    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5113    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8114    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5113    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9112    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6112    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0113    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7113    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1112    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8112    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1112    4.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7112    4.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2950    1.4355    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  4 10  1  0  0  0  0
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 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
  3 13  1  0  0  0  0
  5 22  1  0  0  0  0
  1 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 33 38  2  0  0  0  0
 32 33  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 39 44  2  0  0  0  0
 32 39  1  0  0  0  0
 28 30  1  0  0  0  0
 25 28  1  0  0  0  0
 12 24  1  0  0  0  0
  9 45  1  0  0  0  0
M  END
>  <Mol_ID> (3,938)
3938

>  <Formula> (3,938)
C36H42ClN3O6

>  <MolWeight> (3,938)
648.18818

>  <Item Name> (3,938)
Lercanidipine (hydrochloride)

>  <Catalog Number> (3,938)
S4597

>  <Synonyms> (3,938)
Zanidip (hydrochloride), Masnidipine (hydrochloride)

>  <Target> (3,938)
Calcium Channel

>  <Form> (3,938)
hydrochloride

>  <URL> (3,938)
http://www.selleckchem.com/products/lercanidipine-hydrochloride.html

>  <CAS Number> (3,938)
132866-11-6

$$$$
S4596 Cefixime.cdx
csChFnd80/10101813242D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.6620    2.8119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6698    4.2109    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8680    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2673    2.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2687    4.2187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8919    4.9017    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0893    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8680    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    1.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    5.2086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0985    4.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3017    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0775    0.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6526    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9268    4.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5116    2.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    5.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5645    3.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4777    6.3736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0908    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    7.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6918    4.2492    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0138    8.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3661    9.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7285   10.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3168    5.5657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  2 31  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  4  5  1  0  0  0  0
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  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
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 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
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 22 25  1  0  0  0  0
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 24 25  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (3,939)
3939

>  <Formula> (3,939)
C16H15N5O7S2

>  <MolWeight> (3,939)
453.4496

>  <Item Name> (3,939)
Cefixime

>  <Catalog Number> (3,939)
S4596

>  <Synonyms> (3,939)
Cefixima, Cefiximum, Cephoral, Cefspan, FR-17027, FK-027, CL-284635

>  <Target> (3,939)
Antifection

>  <Form> (3,939)
Free Base

>  <URL> (3,939)
http://www.selleckchem.com/products/cefixime.html

>  <CAS Number> (3,939)
79350-37-1

$$$$
S4595 Cefazolin (sodium).cdx
csChFnd80/10101813242D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.6425    3.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6462    2.0326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4506    4.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0414    3.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0451    2.0362    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4579    1.3356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2170    3.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4469    5.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0372    4.4304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0460    1.0574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2207    2.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0363    4.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6351    6.2405    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.3643    1.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    3.4357    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3760    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7044    2.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7169    0.8640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2103    2.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8284    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3986    4.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0949    5.8032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5878    2.1305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9976    0.7902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9585    6.2429    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  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
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  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
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 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  2  0  0  0  0
 25 29  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,940)
3940

>  <Formula> (3,940)
C14H13N8NaO4S3

>  <MolWeight> (3,940)
476.48899

>  <Item Name> (3,940)
Cefazolin Sodium

>  <Catalog Number> (3,940)
S4595

>  <Synonyms> (3,940)
cefazoline sodium, cephazolin sodium, Ancef

>  <Target> (3,940)
Antifection

>  <Form> (3,940)
Sodium Salt

>  <URL> (3,940)
http://www.selleckchem.com/products/cefazolin-sodium.html

>  <CAS Number> (3,940)
27164-46-1

$$$$
S4591 Nitroxoline.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   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
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  5  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  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,941)
3941

>  <Formula> (3,941)
C9H6N2O3

>  <MolWeight> (3,941)
190.15554

>  <Item Name> (3,941)
Nitroxoline

>  <Catalog Number> (3,941)
S4591

>  <Synonyms> (3,941)
8-Hydroxy-5-nitroquinoline, 5-nitroquinolin-8-ol, 5-Nitro-8-quinolinol|5-Nitro-8-hydroxyquinoline

>  <Target> (3,941)
Topoisomerase

>  <Form> (3,941)
Free Base

>  <URL> (3,941)
http://www.selleckchem.com/products/nitroxoline.html

>  <CAS Number> (3,941)
4008-48-4

$$$$
S4587 Dithranol.cdx
csChFnd80/10101813242D

 10 11  0  0  0  0  0  0  0  0999 V2000
    1.9269    3.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0422    2.3109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3675    4.4709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5805    2.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1891    3.1357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085    0.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7682    4.4709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0507    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6986    0.2634    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
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,942)
3942

>  <Formula> (3,942)
C6H10N4

>  <MolWeight> (3,942)
138.1704

>  <Item Name> (3,942)
Pentylenetetrazol

>  <Catalog Number> (3,942)
S4587

>  <Synonyms> (3,942)
	Pentylenetetrazole, Metrazole, pentetrazol, pentamethylenetetrazol, Corazol, Cardiazol, PTZ

>  <Target> (3,942)
GABA Receptor

>  <Form> (3,942)
Free Base

>  <URL> (3,942)
http://www.selleckchem.com/products/pentylenetetrazol.html

>  <CAS Number> (3,942)
54-95-5

$$$$
S4586 4-Chloro-DL-phenylalanine.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0591    2.1227    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2715    2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    0.7227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4840    2.1227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    4.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6342    2.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    2.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6454    0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2051    2.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    0.0145    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
    0.0000    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  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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,943)
3943

>  <Formula> (3,943)
C9H10ClNO2

>  <MolWeight> (3,943)
199.6342

>  <Item Name> (3,943)
4-Chloro-DL-phenylalanine

>  <Catalog Number> (3,943)
S4586

>  <Synonyms> (3,943)
Fenclonine, PCPA, CP-10188

>  <Target> (3,943)
Hydroxylase

>  <Form> (3,943)
Free Base

>  <URL> (3,943)
http://www.selleckchem.com/products/4-chloro-dl-phenylalanine.html

>  <CAS Number> (3,943)
7424-00-2

$$$$
S4585 Succinylsulfathiazole.cdx
csChFnd80/10101813242D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.6711    7.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3711    8.5190    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    7.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3911    6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0711    9.7314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5746    7.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497    9.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6129    6.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7025    4.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4621    9.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3015    4.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3006   10.8813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2845    8.6138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6015    3.6364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6464   10.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6338    9.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  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
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 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> (3,944)
3944

>  <Formula> (3,944)
C13H13N3O5S2

>  <MolWeight> (3,944)
355.38942

>  <Item Name> (3,944)
Succinylsulfathiazole

>  <Catalog Number> (3,944)
S4585

>  <Synonyms> (3,944)
Succinylsulphathiazole

>  <Target> (3,944)
Antifection

>  <Form> (3,944)
Free Base

>  <URL> (3,944)
http://www.selleckchem.com/products/succinylsulfathiazole.html

>  <CAS Number> (3,944)
116-43-8

$$$$
S4584 Butylparaben.cdx
csChFnd80/10101813242D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6474    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    2.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0673    2.1188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    4.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234    2.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2818    2.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4929    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9177    2.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
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  7 10  1  0  0  0  0
  8 10  2  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
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,945)
3945

>  <Formula> (3,945)
C11H14O3

>  <MolWeight> (3,945)
194.22706

>  <Item Name> (3,945)
Butylparaben

>  <Catalog Number> (3,945)
S4584

>  <Synonyms> (3,945)
Butyl parahydroxybenzoate, Butyl paraben, Butyl 4-hydroxybenzoate

>  <Target> (3,945)
Antifection

>  <Form> (3,945)
Free Base

>  <URL> (3,945)
http://www.selleckchem.com/products/butylparaben.html

>  <CAS Number> (3,945)
94-26-8

$$$$
S4583 Butamben.cdx
csChFnd80/10101813242D

 14 14  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
    4.8497    2.8000    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
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    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  7 10  2  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
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,946)
3946

>  <Formula> (3,946)
C11H15NO2

>  <MolWeight> (3,946)
193.2423

>  <Item Name> (3,946)
Butamben

>  <Catalog Number> (3,946)
S4583

>  <Synonyms> (3,946)
Butyl 4-aminobenzoate

>  <Target> (3,946)
Others

>  <Form> (3,946)
Free Base

>  <URL> (3,946)
http://www.selleckchem.com/products/butamben.html

>  <CAS Number> (3,946)
94-25-7

$$$$
S4580 Hydroquinone.cdx
csChFnd80/10101813242D

  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> (3,947)
3947

>  <Formula> (3,947)
C6H6O2

>  <MolWeight> (3,947)
110.11064

>  <Item Name> (3,947)
Hydroquinone

>  <Catalog Number> (3,947)
S4580

>  <Synonyms> (3,947)
Quinol, 1,4-Benzenediol, 1,4-Dihydroxybenzene, HQ

>  <Target> (3,947)
ROS

>  <Form> (3,947)
Free Base

>  <URL> (3,947)
http://www.selleckchem.com/products/hydroquinone.html

>  <CAS Number> (3,947)
123-31-9

$$$$
S4576 Sulfabenzamide.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6356    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8474    2.8040    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    3.5037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5472    1.5920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1479    4.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    0.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    2.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829    3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9227    3.5073    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  2  0  0  0  0
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  2  5  1  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
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 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
M  END
>  <Mol_ID> (3,948)
3948

>  <Formula> (3,948)
C13H12N2O3S

>  <MolWeight> (3,948)
276.31098

>  <Item Name> (3,948)
Sulfabenzamide

>  <Catalog Number> (3,948)
S4576

>  <Synonyms> (3,948)
Sultrin, N-Sulfanilylbenzamide

>  <Target> (3,948)
Antifection

>  <Form> (3,948)
Free Base

>  <URL> (3,948)
http://www.selleckchem.com/products/sulfabenzamide.html

>  <CAS Number> (3,948)
127-71-9

$$$$
Cefuroxime sodium.cdx
csChFnd80/10101813242D

 31 32  0  0  0  0  0  0  0  0999 V2000
    7.2743    6.0652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    6.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0626    3.9651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    4.6654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6742    4.6654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6738    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    8.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    8.8662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640    8.8543    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6713    7.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0188    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3812    5.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
  6 31  1  6  0  0  0
M  END
>  <Mol_ID> (3,949)
3949

>  <Formula> (3,949)
C16H15N4NaO8S

>  <MolWeight> (3,949)
446.36707

>  <Item Name> (3,949)
Cefuroxime sodium

>  <Catalog Number> (3,949)
S4620

>  <Synonyms> (3,949)
N/A

>  <Target> (3,949)
Antifection

>  <Form> (3,949)
Sodium Salt

>  <URL> (3,949)
http://www.selleckchem.com/products/cefuroxime-sodium.html

>  <CAS Number> (3,949)
56238-63-2

$$$$
S4619 Itopride hydrochloride.cdx
csChFnd80/10101813242D

 27 27  0  0  0  0  0  0  0  0999 V2000
    4.8175    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8175    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0050    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2430    2.1226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0050    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    2.8048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4726    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9236    2.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9236    0.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362    2.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3912    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8505    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0803    0.6991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2929    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0803    2.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5753    3.1559    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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M  END
>  <Mol_ID> (3,950)
3950

>  <Formula> (3,950)
C20H27ClN2O4

>  <MolWeight> (3,950)
394.89238

>  <Item Name> (3,950)
Itopride hydrochloride

>  <Catalog Number> (3,950)
S4619

>  <Synonyms> (3,950)
Ganaton, HSR803

>  <Target> (3,950)
AChR

>  <Form> (3,950)
hydrochloride

>  <URL> (3,950)
http://www.selleckchem.com/products/itopride-hydrochloride.html

>  <CAS Number> (3,950)
122892-31-3

$$$$
S4574 Piperazine.cdx
csChFnd80/10101813242D

  6  6  0  0  0  0  0  0  0  0999 V2000
    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    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   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  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,951)
3951

>  <Formula> (3,951)
C4H10N2

>  <MolWeight> (3,951)
86.1356

>  <Item Name> (3,951)
Piperazine

>  <Catalog Number> (3,951)
S4574

>  <Synonyms> (3,951)
1,4-Diazacyclohexane, Diethylenediamine, exahydropyrazine, Piperazidine

>  <Target> (3,951)
GABA Receptor

>  <Form> (3,951)
Free Base

>  <URL> (3,951)
http://www.selleckchem.com/products/piperazine.html

>  <CAS Number> (3,951)
110-85-0

$$$$
S4589 Amodiaquin (dihydrochloride dihydrate).cdx
csChFnd80/10101813242D

 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
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   17.0427    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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    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> (3,952)
3952

>  <Formula> (3,952)
C20H28Cl3N3O3

>  <MolWeight> (3,952)
464.81362

>  <Item Name> (3,952)
Amodiaquin (dihydrochloride dihydrate)

>  <Catalog Number> (3,952)
S4589

>  <Synonyms> (3,952)
N/A

>  <Target> (3,952)
Transferase,Histone

>  <Form> (3,952)
dihydrochloride dihydrate

>  <URL> (3,952)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

>  <CAS Number> (3,952)
6398-98-7

$$$$
S4625 Alcaftadine.cdx
csChFnd80/10101813242D

 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
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    0.6997   10.1490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6535    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5386    7.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    5.6949    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
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  6  4  1  0  0  0  0
 13  5  1  0  0  0  0
  6  5  2  0  0  0  0
 11  7  2  0  0  0  0
 19  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 12  9  1  0  0  0  0
 10 17  1  0  0  0  0
 20 10  1  0  0  0  0
 10 18  1  0  0  0  0
 21 11  1  0  0  0  0
 12 11  1  0  0  0  0
 16 13  2  0  0  0  0
 18 14  1  0  0  0  0
 17 15  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,953)
3953

>  <Formula> (3,953)
C19H21N3O

>  <MolWeight> (3,953)
307.38954

>  <Item Name> (3,953)
Alcaftadine

>  <Catalog Number> (3,953)
S4625

>  <Synonyms> (3,953)
Lastacaft, R89674, R 89674, R-89674

>  <Target> (3,953)
Histamine Receptor

>  <Form> (3,953)
Free Base

>  <URL> (3,953)
http://www.selleckchem.com/products/alcaftadine.html

>  <CAS Number> (3,953)
147084-10-4

$$$$
S4632 Hexachlorophene.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.8674    3.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6534    2.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6676    5.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1583    3.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344    2.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7574    5.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2676    4.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3683    1.8081    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1954    3.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1229    1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0377    5.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5459    7.3408    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5775    3.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  4  7  1  0  0  0  0
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  5  9  2  0  0  0  0
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 10 15  2  0  0  0  0
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 15 19  1  0  0  0  0
 15 17  1  0  0  0  0
  3 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,954)
3954

>  <Formula> (3,954)
C13H6Cl6O2

>  <MolWeight> (3,954)
406.90354

>  <Item Name> (3,954)
Hexachlorophene

>  <Catalog Number> (3,954)
S4632

>  <Synonyms> (3,954)
Hexachlorofen, Fostril, Nabac, pHisoHex

>  <Target> (3,954)
Potassium Channel

>  <Form> (3,954)
Free Base

>  <URL> (3,954)
http://www.selleckchem.com/products/hexachlorophene.html

>  <CAS Number> (3,954)
70-30-4

$$$$
S4630 Diazoxide.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6503    3.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4358    4.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0860    3.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179    3.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860    2.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1537    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6436    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3039    4.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
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  7 13  1  0  0  0  0
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 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,955)
3955

>  <Formula> (3,955)
C8H7ClN2O2S

>  <MolWeight> (3,955)
230.67138

>  <Item Name> (3,955)
Diazoxide

>  <Catalog Number> (3,955)
S4630

>  <Synonyms> (3,955)
Sch-6783, SRG-95213, Proglycem

>  <Target> (3,955)
Potassium Channel

>  <Form> (3,955)
Free Base

>  <URL> (3,955)
http://www.selleckchem.com/products/diazoxide.html

>  <CAS Number> (3,955)
364-98-7

$$$$
S4629 Chlorotrianisene.cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.0003    2.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3003    3.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4003    2.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3003    1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8840    3.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0957    1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0939    3.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003    1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0003    0.0060    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,956)
3956

>  <Formula> (3,956)
C23H21ClO3

>  <MolWeight> (3,956)
380.86404

>  <Item Name> (3,956)
Chlorotrianisene

>  <Catalog Number> (3,956)
S4629

>  <Synonyms> (3,956)
tri-p-anisylchloroethylene, tris(p-methoxyphenyl)chloroethylene, TACE, CTA

>  <Target> (3,956)
Estrogen/progestogen Receptor

>  <Form> (3,956)
Free Base

>  <URL> (3,956)
http://www.selleckchem.com/products/chlorotrianisene.html

>  <CAS Number> (3,956)
569-57-3

$$$$
S4628 (+-)-Sulfinpyrazone.cdx
csChFnd80/10101813242D

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  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
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M  END
>  <Mol_ID> (3,957)
3957

>  <Formula> (3,957)
C23H20N2O3S

>  <MolWeight> (3,957)
404.4815

>  <Item Name> (3,957)
(+/-)-Sulfinpyrazone

>  <Catalog Number> (3,957)
S4628

>  <Synonyms> (3,957)
G-28315, NSC 75925

>  <Target> (3,957)
COX

>  <Form> (3,957)
Free Base

>  <URL> (3,957)
http://www.selleckchem.com/products/sulfinpyrazone.html

>  <CAS Number> (3,957)
57-96-5

$$$$
S4626 ETHOSUXIMIDE.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.1838    2.1437    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.4852    2.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4059    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
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6  8  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,958)
3958

>  <Formula> (3,958)
C7H11NO2

>  <MolWeight> (3,958)
141.16774

>  <Item Name> (3,958)
Ethosuximide

>  <Catalog Number> (3,958)
S4626

>  <Synonyms> (3,958)
N/A

>  <Target> (3,958)
Calcium Channel

>  <Form> (3,958)
Free Base

>  <URL> (3,958)
http://www.selleckchem.com/products/ethosuximide.html

>  <CAS Number> (3,958)
77-67-8

$$$$
S4618 Fenoldopam (mesylate).cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.6362    6.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7484    5.4602    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,959)
3959

>  <Formula> (3,959)
C17H20ClNO6S

>  <MolWeight> (3,959)
401.8618

>  <Item Name> (3,959)
Fenoldopam (mesylate)

>  <Catalog Number> (3,959)
S4618

>  <Synonyms> (3,959)
SKF 82526 (mesylate), Fenoldopam methanesulfonate, Corlopam mesylate

>  <Target> (3,959)
Dopamine Receptor

>  <Form> (3,959)
mesylate

>  <URL> (3,959)
http://www.selleckchem.com/products/fenoldopam-mesylate.html

>  <CAS Number> (3,959)
67227-57-0

$$$$
S4617 Dextromethorphan hydrobromide hydrate.cdx
csChFnd80/10101813242D

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    3.5000    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
  9 22  1  6  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,960)
3960

>  <Formula> (3,960)
C18H28BrNO2

>  <MolWeight> (3,960)
370.32442

>  <Item Name> (3,960)
Dextromethorphan (hydrobromide hydrate)

>  <Catalog Number> (3,960)
S4617

>  <Synonyms> (3,960)
Dextromethorphan hydrobromide monohydrate

>  <Target> (3,960)
AChR

>  <Form> (3,960)
hydrobromide

>  <URL> (3,960)
http://www.selleckchem.com/products/dextromethorphan-hydrobromide-hydrate.html

>  <CAS Number> (3,960)
6700-34-1

$$$$
S4639 Brexpiprazole.cdx
csChFnd80/10101813242D

 31 35  0  0  0  0  0  0  0  0999 V2000
   14.3619    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0034    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,961)
3961

>  <Formula> (3,961)
C25H27N3O2S

>  <MolWeight> (3,961)
433.56578

>  <Item Name> (3,961)
Brexpiprazole

>  <Catalog Number> (3,961)
S4639

>  <Synonyms> (3,961)
OPC-34712, OPC 34712, OPC34712

>  <Target> (3,961)
Dopamine Receptor

>  <Form> (3,961)
Free Base

>  <URL> (3,961)
http://www.selleckchem.com/products/brexpiprazole.html

>  <CAS Number> (3,961)
913611-97-9

$$$$
S4640 Lesinurad.cdx
csChFnd80/10101813242D

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 10 24  1  0  0  0  0
  5  8  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (3,962)
3962

>  <Formula> (3,962)
C17H14BrN3O2S

>  <MolWeight> (3,962)
404.28096

>  <Item Name> (3,962)
Lesinurad

>  <Catalog Number> (3,962)
S4640

>  <Synonyms> (3,962)
RDEA 594, RDEA-594, RDEA594

>  <Target> (3,962)
Others

>  <Form> (3,962)
Free Base

>  <URL> (3,962)
http://www.selleckchem.com/products/lesinurad.html

>  <CAS Number> (3,962)
878672-00-5

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/10101813242D

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 21 22  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (3,963)
3963

>  <Formula> (3,963)
C21H22ClNR

>  <MolWeight> (3,963)
323.85908

>  <Item Name> (3,963)
Cyproheptadine hydrochloride

>  <Catalog Number> (3,963)
S4635

>  <Synonyms> (3,963)
Periactin hydrochloride, Peritol

>  <Target> (3,963)
5-HT Receptor

>  <Form> (3,963)
Hydrochloride Sesquihydrate

>  <URL> (3,963)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride.html

>  <CAS Number> (3,963)
41354-29-4

$$$$
S4612 Dapson.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,964)
3964

>  <Formula> (3,964)
C12H12N2O2S

>  <MolWeight> (3,964)
248.30088

>  <Item Name> (3,964)
Dapson

>  <Catalog Number> (3,964)
S4612

>  <Synonyms> (3,964)
Dapsone, 4,4¡ä-Diaminodiphenyl sulfone, 4,4¡ä-Sulfonyldianiline, 4-Aminophenyl sulfone, Bis sulfone, 

>  <Target> (3,964)
Antifection

>  <Form> (3,964)
Free Base

>  <URL> (3,964)
http://www.selleckchem.com/products/dapson.html

>  <CAS Number> (3,964)
80-08-0

$$$$
S4610 Mebendazole.cdx
csChFnd80/10101813242D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2453    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,965)
3965

>  <Formula> (3,965)
C16H13N3O3

>  <MolWeight> (3,965)
295.29272

>  <Item Name> (3,965)
Mebendazole

>  <Catalog Number> (3,965)
S4610

>  <Synonyms> (3,965)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (3,965)
Antifection

>  <Form> (3,965)
Free Base

>  <URL> (3,965)
http://www.selleckchem.com/products/mebendazole.html

>  <CAS Number> (3,965)
31431-39-7

$$$$
S4604 Levofloxacin hydrate.cdx
csChFnd80/10101813242D

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A   27
0.5H2O
M  END
>  <Mol_ID> (3,966)
3966

>  <Formula> (3,966)
C18H20FN3O4R

>  <MolWeight> (3,966)
361.3675032

>  <Item Name> (3,966)
Levofloxacin hydrate

>  <Catalog Number> (3,966)
S4604

>  <Synonyms> (3,966)
Levofloxacin hemihydrate, Levaquin hydrate, Tavanic hydrate, Quixin hydrate, Iquix hydrate, 

>  <Target> (3,966)
Topoisomerase

>  <Form> (3,966)
hydrate

>  <URL> (3,966)
http://www.selleckchem.com/products/levofloxacin-hydrate.html

>  <CAS Number> (3,966)
138199-71-0

$$$$
S4603 Gallic acid.cdx
csChFnd80/10101813242D

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    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,967)
3967

>  <Formula> (3,967)
C7H6O5

>  <MolWeight> (3,967)
170.11954

>  <Item Name> (3,967)
Gallic acid

>  <Catalog Number> (3,967)
S4603

>  <Synonyms> (3,967)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

>  <Target> (3,967)
ROS

>  <Form> (3,967)
Free Base

>  <URL> (3,967)
http://www.selleckchem.com/products/gallic-acid.html

>  <CAS Number> (3,967)
149-91-7

$$$$
S4609 Diflunisal.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,968)
3968

>  <Formula> (3,968)
C13H8F2O3

>  <MolWeight> (3,968)
250.1976264

>  <Item Name> (3,968)
Diflunisal

>  <Catalog Number> (3,968)
S4609

>  <Synonyms> (3,968)
Dolobid, Dolobis, Flovacil, Fluniget

>  <Target> (3,968)
COX

>  <Form> (3,968)
Free Base

>  <URL> (3,968)
http://www.selleckchem.com/products/diflunisal.html

>  <CAS Number> (3,968)
22494-42-4

$$$$
S4638 Desogestrel.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,969)
3969

>  <Formula> (3,969)
C22H30O

>  <MolWeight> (3,969)
310.473

>  <Item Name> (3,969)
Desogestrel

>  <Catalog Number> (3,969)
S4638

>  <Synonyms> (3,969)
Cerazette, Desogen, Desogestrelum, Org-2969

>  <Target> (3,969)
Estrogen/progestogen Receptor

>  <Form> (3,969)
Free Base

>  <URL> (3,969)
http://www.selleckchem.com/products/desogestrel.html

>  <CAS Number> (3,969)
54024-22-5

$$$$
S4656 Parecoxib.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,970)
3970

>  <Formula> (3,970)
C19H18N2O4S

>  <MolWeight> (3,970)
370.42222

>  <Item Name> (3,970)
Parecoxib

>  <Catalog Number> (3,970)
S4656

>  <Synonyms> (3,970)
SC-69124, Valus-P, Vorth-P

>  <Target> (3,970)
COX

>  <Form> (3,970)
Free Base

>  <URL> (3,970)
http://www.selleckchem.com/products/parecoxib.html

>  <CAS Number> (3,970)
198470-84-7

$$$$
S4652 Sulisobenzone.cdx
csChFnd80/10101813242D

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    4.8737    4.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,971)
3971

>  <Formula> (3,971)
C14H12O6S

>  <MolWeight> (3,971)
308.30648

>  <Item Name> (3,971)
Sulisobenzone

>  <Catalog Number> (3,971)
S4652

>  <Synonyms> (3,971)
Benzophenone-4, Sungard

>  <Target> (3,971)
Others

>  <Form> (3,971)
Free Base

>  <URL> (3,971)
http://www.selleckchem.com/products/sulisobenzone.html

>  <CAS Number> (3,971)
4065-45-6

$$$$
S4647 Cefmenoxime hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,972)
3972

>  <Formula> (3,972)
C32H35ClN18O10S6

>  <MolWeight> (3,972)
1059.5779

>  <Item Name> (3,972)
Cefmenoxime hydrochloride

>  <Catalog Number> (3,972)
S4647

>  <Synonyms> (3,972)
Cefmenoxime hemihydrochloride, SCE-1365 hemihydrochloride

>  <Target> (3,972)
Antifection

>  <Form> (3,972)
hydrochloride

>  <URL> (3,972)
http://www.selleckchem.com/products/cefmenoxime-hydrochloride.html

>  <CAS Number> (3,972)
75738-58-8

$$$$
S4588 Docusate (Sodium).cdx
csChFnd80/10101813242D

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    7.2746    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,973)
3973

>  <Formula> (3,973)
C20H37NaO7S

>  <MolWeight> (3,973)
444.55835

>  <Item Name> (3,973)
Docusate Sodium

>  <Catalog Number> (3,973)
S4588

>  <Synonyms> (3,973)
Aerosol OT, Bis(2-ethylhexyl) sulfosuccinate sodium salt, Constonate

>  <Target> (3,973)
Opioid Receptor

>  <Form> (3,973)
sodium salt

>  <URL> (3,973)
http://www.selleckchem.com/products/docusate-sodium.html

>  <CAS Number> (3,973)
577-11-7

$$$$
S4657 Eslicarbazepine Acetate.cdx
csChFnd80/10101813242D

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 20 19  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,974)
3974

>  <Formula> (3,974)
C17H16N2O3

>  <MolWeight> (3,974)
296.32054

>  <Item Name> (3,974)
Eslicarbazepine Acetate

>  <Catalog Number> (3,974)
S4657

>  <Synonyms> (3,974)
BIA 2093, Zebinix, Exalief, Stedesa, Aptiom

>  <Target> (3,974)
Others

>  <Form> (3,974)
Free Base

>  <URL> (3,974)
http://www.selleckchem.com/products/eslicarbazepine-acetate.html

>  <CAS Number> (3,974)
236395-14-5

$$$$
S4649 Atipamezole hydrochloride.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.5879    3.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8496    3.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8015    4.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4579    3.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,975)
3975

>  <Formula> (3,975)
C14H17ClN2

>  <MolWeight> (3,975)
248.75118

>  <Item Name> (3,975)
Atipamezole hydrochloride

>  <Catalog Number> (3,975)
S4649

>  <Synonyms> (3,975)
Antisedan, MPV-1248 hydrochloride, MPV1248 hydrochloride, MPV 1248 hydrochloride

>  <Target> (3,975)
Adrenergic Receptor

>  <Form> (3,975)
hydrochloride

>  <URL> (3,975)
http://www.selleckchem.com/products/atipamezole-hydrochloride.html

>  <CAS Number> (3,975)
104075-48-1

$$$$
S4624 Methylbenactyzine Bromide.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,976)
3976

>  <Formula> (3,976)
C21H28BrNO3

>  <MolWeight> (3,976)
422.35592

>  <Item Name> (3,976)
Methylbenactyzine Bromide

>  <Catalog Number> (3,976)
S4623

>  <Synonyms> (3,976)
Gastrimade, Noinarin, Paragone, Semulgin

>  <Target> (3,976)
AChR

>  <Form> (3,976)
bromide 

>  <URL> (3,976)
http://selleckchem.com/products/methylbenactyzine-bromide.html

>  <CAS Number> (3,976)
3166-62-9

$$$$
S4641 Tedizolid Phosphate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,977)
3977

>  <Formula> (3,977)
C17H16FN6O6P

>  <MolWeight> (3,977)
450.3177042

>  <Item Name> (3,977)
Tedizolid Phosphate

>  <Catalog Number> (3,977)
S4641

>  <Synonyms> (3,977)
TR-701FA

>  <Target> (3,977)
Antifection

>  <Form> (3,977)
Free Base

>  <URL> (3,977)
http://www.selleckchem.com/products/tedizolid-phosphate.html

>  <CAS Number> (3,977)
856867-55-5

$$$$
S4634 SULFADIAZINE SODIUM.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,978)
3978

>  <Formula> (3,978)
C10H9N4NaO2S

>  <MolWeight> (3,978)
272.25883

>  <Item Name> (3,978)
Sodium sulfadiazine

>  <Catalog Number> (3,978)
S4634

>  <Synonyms> (3,978)
Sulfadiazin-natrium

>  <Target> (3,978)
Antifection

>  <Form> (3,978)
Sodium salt

>  <URL> (3,978)
http://www.selleckchem.com/products/sodium-sulfadiazine.html

>  <CAS Number> (3,978)
547-32-0

$$$$
S4602 Acetohydroxamic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,979)
3979

>  <Formula> (3,979)
C2H5NO2

>  <MolWeight> (3,979)
75.0666

>  <Item Name> (3,979)
Acetohydroxamic acid

>  <Catalog Number> (3,979)
S4602

>  <Synonyms> (3,979)
N-Hydroxyacetamide, Methylhydroxamic acid, Acetic acid|oxime, Lithostat

>  <Target> (3,979)
Antifection

>  <Form> (3,979)
Free Base

>  <URL> (3,979)
http://www.selleckchem.com/products/acetohydroxamic-acid.html

>  <CAS Number> (3,979)
546-88-3

$$$$
Triclosan.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (3,980)
3980

>  <Formula> (3,980)
C12H7Cl3O2

>  <MolWeight> (3,980)
289.54178

>  <Item Name> (3,980)
Triclosan

>  <Catalog Number> (3,980)
S4541

>  <Synonyms> (3,980)
Irgasan, Cloxifenolum

>  <Target> (3,980)
Antifection

>  <Form> (3,980)
Free Base

>  <URL> (3,980)
http://www.selleckchem.com/products/triclosan.html

>  <CAS Number> (3,980)
3380-34-5

$$$$
S4562 Dehydrocholic acid.cdx
csChFnd80/10101813242D

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   12.7547    9.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1145    4.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3266    2.1293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8808    2.1132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6579    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 32  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  1  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  1  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 14  1  1  0  0  0
 12 19  2  0  0  0  0
 15 20  1  0  0  0  0
 15 33  1  1  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  6  0  0  0
 20 24  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (3,981)
3981

>  <Formula> (3,981)
C24H34O5

>  <MolWeight> (3,981)
402.52376

>  <Item Name> (3,981)
Dehydrocholic acid

>  <Catalog Number> (3,981)
S4562

>  <Synonyms> (3,981)
Decholin, Dehystolin, Felacrinos, Sanocholen

>  <Target> (3,981)
Others

>  <Form> (3,981)
Free Base

>  <URL> (3,981)
http://www.selleckchem.com/products/dehydrocholic-acid.html

>  <CAS Number> (3,981)
81-23-2

$$$$
S4550 Azelaic acid.cdx
csChFnd80/10101813242D

 13 12  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 C   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
    1.2124    2.1000    0.0000 O   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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   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
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (3,982)
3982

>  <Formula> (3,982)
C9H16O4

>  <MolWeight> (3,982)
188.22094

>  <Item Name> (3,982)
Azelaic acid

>  <Catalog Number> (3,982)
S4550

>  <Synonyms> (3,982)
Nonanedioic acid, Finacea, Azelex, Anchoic acid

>  <Target> (3,982)
Antifection

>  <Form> (3,982)
Free Base

>  <URL> (3,982)
http://www.selleckchem.com/products/azelaic-acid.html

>  <CAS Number> (3,982)
123-99-9

$$$$
S4607 2,2¡ä-Dihydroxy-4-methoxybenzophenone.cdx
csChFnd80/10101813242D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8532    3.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413    4.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6413    5.5827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2824    3.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    5.5916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0656    1.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4283    2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    4.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2824    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    1.3907    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  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
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 10 13  1  0  0  0  0
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 13 17  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,983)
3983

>  <Formula> (3,983)
C14H12O4

>  <MolWeight> (3,983)
244.24268

>  <Item Name> (3,983)
2,2¡ä-Dihydroxy-4-methoxybenzophenone

>  <Catalog Number> (3,983)
S4607

>  <Synonyms> (3,983)
Dioxybenzone, Dioxybenzon, Advastab 47, Cyasorb UV 24, Benzophenone-8

>  <Target> (3,983)
Others

>  <Form> (3,983)
Free Base

>  <URL> (3,983)
http://www.selleckchem.com/products/2-2-dihydroxy-4-methoxybenzophenone.html

>  <CAS Number> (3,983)
131-53-3

$$$$
S4679 Terazosin.cdx
csChFnd80/10101813242D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6413    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413    3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313    1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    4.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2156    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    2.1275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    0.0516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2156    3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    4.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2549    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
    7.2712    5.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
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  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 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
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,984)
3984

>  <Formula> (3,984)
C19H26ClN5O4

>  <MolWeight> (3,984)
423.89384

>  <Item Name> (3,984)
Terazosin HCl 

>  <Catalog Number> (3,984)
S4679

>  <Synonyms> (3,984)
Terazosin, Hytrin, Zayasel, Terazosine, Flumarc, Fosfomic, Blavin

>  <Target> (3,984)
Adrenergic Receptor

>  <Form> (3,984)
hydrochloride

>  <URL> (3,984)
http://www.selleckchem.com/products/terazosin.html

>  <CAS Number> (3,984)
63074-08-8

$$$$
S4674 Hydroxyprogesterone caproate.cdx
csChFnd80/10101813242D

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.7188    4.5849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3847    4.1965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5081    3.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022    5.6309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7689    6.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3847    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1381    4.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7188    2.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0801    5.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0153    6.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  9  1  0  0  0  0
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  7 14  1  0  0  0  0
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 13 18  1  0  0  0  0
 13 33  1  1  0  0  0
 14 17  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 34  1  6  0  0  0
 18 21  1  0  0  0  0
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 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
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 21 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (3,985)
3985

>  <Formula> (3,985)
C27H40O4

>  <MolWeight> (3,985)
428.6041

>  <Item Name> (3,985)
Hydroxyprogesterone caproate

>  <Catalog Number> (3,985)
S4674

>  <Synonyms> (3,985)
17¦Á-Hydroxyprogesterone hexanoate, 17¦Á-Hydroxyprogesterone caproate

>  <Target> (3,985)
Estrogen/progestogen Receptor

>  <Form> (3,985)
Free Base

>  <URL> (3,985)
http://www.selleckchem.com/products/hydroxyprogesterone-caproate.html

>  <CAS Number> (3,985)
630-56-8

$$$$
S4683 Sildenafil Mesylate.cdx
csChFnd80/10101813242D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,986)
3986

>  <Formula> (3,986)
C23H34N6O7S2

>  <MolWeight> (3,986)
570.68206

>  <Item Name> (3,986)
Sildenafil Mesylate

>  <Catalog Number> (3,986)
S4683

>  <Synonyms> (3,986)
N/A

>  <Target> (3,986)
PDE

>  <Form> (3,986)
Mesylate

>  <URL> (3,986)
http://www.selleckchem.com/products/sildenafil-mesylate.html

>  <CAS Number> (3,986)
1308285-21-3

$$$$
S4693 Guanfacine Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,987)
3987

>  <Formula> (3,987)
C9H10Cl3N3O

>  <MolWeight> (3,987)
282.5542

>  <Item Name> (3,987)
Guanfacine Hydrochloride

>  <Catalog Number> (3,987)
S4693

>  <Synonyms> (3,987)
Guanfacine Hydrochloride, Guanfacine, Tenex, Intuniv

>  <Target> (3,987)
5-HT Receptor

>  <Form> (3,987)
hydrochloride

>  <URL> (3,987)
http://www.selleckchem.com/products/guanfacine-hydrochloride.html

>  <CAS Number> (3,987)
29110-48-3

$$$$
S4691 Oxybenzone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,988)
3988

>  <Formula> (3,988)
C14H12O3

>  <MolWeight> (3,988)
228.24328

>  <Item Name> (3,988)
Oxybenzone

>  <Catalog Number> (3,988)
S4691

>  <Synonyms> (3,988)
Oxybenzone, Eusolex 4360, Escalol 567, KAHSCREEN BZ-3, Benzophenone 3

>  <Target> (3,988)
Others

>  <Form> (3,988)
Free Base

>  <URL> (3,988)
http://www.selleckchem.com/products/oxybenzone.html

>  <CAS Number> (3,988)
131-57-7

$$$$
S4666 Sivelestat sodium.cdx
csChFnd80/10101813242D

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   15.2799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7799    3.6373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,989)
3989

>  <Formula> (3,989)
C20H29N2NaO11S

>  <MolWeight> (3,989)
528.50583

>  <Item Name> (3,989)
Sivelestat sodium tetrahydrate

>  <Catalog Number> (3,989)
S4666

>  <Synonyms> (3,989)
Sivelestat sodium, ONO5046-Na, Sodium sivelestat, EI546 sodium, LY544349 sodium

>  <Target> (3,989)
Serine Protease

>  <Form> (3,989)
Sodium salt tetrahydrate

>  <URL> (3,989)
http://www.selleckchem.com/products/sivelestat-sodium.html

>  <CAS Number> (3,989)
201677-61-4

$$$$
S4664 Molsidomine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,990)
3990

>  <Formula> (3,990)
C9H14N4O4

>  <MolWeight> (3,990)
242.23186

>  <Item Name> (3,990)
Molsidomine

>  <Catalog Number> (3,990)
S4664

>  <Synonyms> (3,990)
SIN-10, Corvaton, Morsydomine

>  <Target> (3,990)
Others

>  <Form> (3,990)
inner salt

>  <URL> (3,990)
http://www.selleckchem.com/products/molsidomine.html

>  <CAS Number> (3,990)
25717-80-0

$$$$
S4660 Glycopyrrolate.cdx
csChFnd80/10101813242D

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    8.9135    3.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4438    1.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0189    3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2313    1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1825    6.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8969    4.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2480    1.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1395    0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8065    3.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5416    0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6504    1.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5492    3.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2802    1.3322    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5658    2.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5199    4.9961    0.0000 Br  0  5  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
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  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  1  0  0  0  0
 10 16  1  0  0  0  0
 12 13  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  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
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,991)
3991

>  <Formula> (3,991)
C19H28BrNO3

>  <MolWeight> (3,991)
398.33452

>  <Item Name> (3,991)
Glycopyrrolate

>  <Catalog Number> (3,991)
S4660

>  <Synonyms> (3,991)
Glycopyrrolate bromide, Glycopyrronium bromide, Robinul, Gastrodyn

>  <Target> (3,991)
AChR

>  <Form> (3,991)
bromide

>  <URL> (3,991)
http://www.selleckchem.com/products/glycopyrrolate.html

>  <CAS Number> (3,991)
596-51-0

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/10101813242D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8488    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    4.1954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2626    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    4.8960    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.2127    2.7939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7090    7.5476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7834   10.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0398    3.7233    0.0000 H   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
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  6  0  0  0
 21 23  1  1  0  0  0
 23 25  1  0  0  0  0
 10 26  1  6  0  0  0
M  END
>  <Mol_ID> (3,992)
3992

>  <Formula> (3,992)
C20H26N2O2

>  <MolWeight> (3,992)
326.43264

>  <Item Name> (3,992)
Hydroquinidine

>  <Catalog Number> (3,992)
S4658

>  <Synonyms> (3,992)
Dihydroquinidine, Hydroconchinine, Hydroconquinine, Dihydroquinine

>  <Target> (3,992)
Others

>  <Form> (3,992)
Free Base

>  <URL> (3,992)
http://www.selleckchem.com/products/hydroquinidine.html

>  <CAS Number> (3,992)
1435-55-8

$$$$
S4655 Sulpiride.cdx
csChFnd80/10101813242D

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.6985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.7985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9152    3.2275    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
  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
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,993)
3993

>  <Formula> (3,993)
C15H23N3O4S

>  <MolWeight> (3,993)
341.42582

>  <Item Name> (3,993)
Sulpiride

>  <Catalog Number> (3,993)
S4655

>  <Synonyms> (3,993)
Dolmatil, Dobren, Sulpyrid, Aiglonyl, Dogmatil

>  <Target> (3,993)
Dopamine Receptor

>  <Form> (3,993)
Free Base

>  <URL> (3,993)
http://www.selleckchem.com/products/sulpiride.html

>  <CAS Number> (3,993)
15676-16-1

$$$$
S4651 Etoricoxib.cdx
csChFnd80/10101813242D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4871    7.0000    0.0000 S   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
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    5.7876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 21  1  1  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  5  2  1  0  0  0  0
 18  3  1  0  0  0  0
  4  8  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 15  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
  7 12  1  0  0  0  0
 19  7  2  0  0  0  0
  8 16  1  0  0  0  0
 17  8  2  0  0  0  0
 20 11  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 22 15  2  0  0  0  0
 20 18  2  0  0  0  0
 24 19  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,994)
3994

>  <Formula> (3,994)
C18H15ClN2O2S

>  <MolWeight> (3,994)
358.8419

>  <Item Name> (3,994)
Etoricoxib

>  <Catalog Number> (3,994)
S4651

>  <Synonyms> (3,994)
Arcoxia, MK-663, MK-0663, Tauxib, Algix, Nucoxia

>  <Target> (3,994)
COX

>  <Form> (3,994)
Free  Base

>  <URL> (3,994)
http://www.selleckchem.com/products/etoricoxib.html

>  <CAS Number> (3,994)
202409-33-4

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/10101813242D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8488    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    4.1954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2626    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7834   10.0191    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
  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
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
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 20 24  1  6  0  0  0
 21 23  1  1  0  0  0
 23 25  1  0  0  0  0
 10 26  1  6  0  0  0
M  END
>  <Mol_ID> (3,995)
3995

>  <Formula> (3,995)
C20H26N2O2

>  <MolWeight> (3,995)
326.43264

>  <Item Name> (3,995)
Dantrolene sodium hemiheptahydrate

>  <Catalog Number> (3,995)
S4648

>  <Synonyms> (3,995)
Dantrolene sodium salt, Dantrium, Sodium dantrolene

>  <Target> (3,995)
Calcium Channel

>  <Form> (3,995)
Sodium salt hemiheptahydrate

>  <URL> (3,995)
http://www.selleckchem.com/products/dantrolene-sodium.html

>  <CAS Number> (3,995)
24868-20-0

$$$$
S4646 Ciclesonide.cdx
csChFnd80/10101813242D

 43 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,996)
3996

>  <Formula> (3,996)
C32H44O7

>  <MolWeight> (3,996)
540.68756

>  <Item Name> (3,996)
Ciclesonide

>  <Catalog Number> (3,996)
S4646

>  <Synonyms> (3,996)
Ciclesonide, Alvesco, Omnaris, RPR251526, Zetonna

>  <Target> (3,996)
Others

>  <Form> (3,996)
Free Base

>  <URL> (3,996)
http://www.selleckchem.com/products/ciclesonide.html

>  <CAS Number> (3,996)
126544-47-6

$$$$
S4637 Prasugrel Hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,997)
3997

>  <Formula> (3,997)
C20H21ClFNO3S

>  <MolWeight> (3,997)
409.9020432

>  <Item Name> (3,997)
Prasugrel Hydrochloride

>  <Catalog Number> (3,997)
S4637

>  <Synonyms> (3,997)
Prasugrel HCl, LY 640315

>  <Target> (3,997)
P2 Receptor

>  <Form> (3,997)
hydrochloride

>  <URL> (3,997)
http://www.selleckchem.com/products/prasugrel-hydrochloride.html

>  <CAS Number> (3,997)
389574-19-0

$$$$
s4515 Ademetionine Ademetionine disulfate tosylate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (3,998)
3998

>  <Formula> (3,998)
C22H34N6O16S4

>  <MolWeight> (3,998)
766.79596

>  <Item Name> (3,998)
Ademetionine disulfate tosylate 

>  <Catalog Number> (3,998)
S4515

>  <Synonyms> (3,998)
N/A

>  <Target> (3,998)
Others

>  <Form> (3,998)
Disulfate tosylate

>  <URL> (3,998)
http://www.selleckchem.com/products/ademetionine-disulfate-tosylate.html

>  <CAS Number> (3,998)
97540-22-2

$$$$
S4682 Loxoprofen.cdx
csChFnd80/10101813242D

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    1.4020    3.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0990    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  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
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,999)
3999

>  <Formula> (3,999)
C15H18O3

>  <MolWeight> (3,999)
246.30162

>  <Item Name> (3,999)
Loxoprofen

>  <Catalog Number> (3,999)
S4682

>  <Synonyms> (3,999)
Koloxo, Loxoprofene, Loxoprofeno

>  <Target> (3,999)
COX

>  <Form> (3,999)
Free Base

>  <URL> (3,999)
http://www.selleckchem.com/products/loxoprofen.html

>  <CAS Number> (3,999)
68767-14-6

$$$$
S4680 Protirelin.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.4578    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5904    1.3315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4578    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9219    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.2544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6703    4.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2843    3.1164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    0.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    3.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042    7.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7368    5.7849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    3.5544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8205    5.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9736    8.0378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6736    6.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    2.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.1238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    1.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2297    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  6  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  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 18 15  1  6  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,000)
4000

>  <Formula> (4,000)
C16H22N6O4

>  <MolWeight> (4,000)
362.38368

>  <Item Name> (4,000)
Protirelin

>  <Catalog Number> (4,000)
S4680

>  <Synonyms> (4,000)
Thyroliberin, Lopremone, Synthetic TRH, Thyrotropin-releasing hormone, Rifathyroin

>  <Target> (4,000)
Others

>  <Form> (4,000)
Free Base

>  <URL> (4,000)
http://www.selleckchem.com/products/protirelin.html

>  <CAS Number> (4,000)
24305-27-9

$$$$
S4665 Rebeprazole sodium.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.6359    5.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622    2.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1604    3.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7963    4.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0340    5.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504    2.0822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4027    2.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    4.1009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6485    2.0984    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    6.8568    2.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6485    0.7032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0651    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0651    0.7006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2791    2.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2791    4.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6999    2.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9093    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1171    2.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3257    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5339    2.7973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7423    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350    0.7037    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
  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
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  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
  7 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,001)
4001

>  <Formula> (4,001)
C18H20N3NaO3S

>  <MolWeight> (4,001)
381.42447

>  <Item Name> (4,001)
Rebeprazole sodium

>  <Catalog Number> (4,001)
S4665

>  <Synonyms> (4,001)
Aciphex Sodium, Dexrabeprazole Sodium, Habeprazole Sodium

>  <Target> (4,001)
Proton Pump

>  <Form> (4,001)
sodium salt

>  <URL> (4,001)
http://www.selleckchem.com/products/rebeprazole-sodium.html

>  <CAS Number> (4,001)
117976-90-6

$$$$
S4663 Fusidate Sodium.cdx
csChFnd80/10101813242D

 41 43  0  0  0  0  0  0  0  0999 V2000
    6.1524    3.5219    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3766    4.2312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9344    4.2187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1524    2.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3766    5.6312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6948    3.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3952    2.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    3.5031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9344    5.6124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9344    1.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    6.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1524    6.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4857    4.9468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6977    2.0907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4988    4.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6851    4.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    6.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1594    7.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5278    4.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    1.4063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2681    3.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2552    8.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5278    7.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8776    4.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2681    2.1093    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4988    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    9.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9609    8.9520    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.4571    6.6231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9134    3.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1853    5.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7720   10.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1989   12.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5487   12.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2822   13.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9782    2.7998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5082    7.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    0.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1749    8.9429    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  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  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 38  1  1  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 39  1  6  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 18  1  6  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 19  2  0  0  0  0
 12 14  1  0  0  0  0
 14 20  1  1  0  0  0
 15 21  1  0  0  0  0
 15 40  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
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  6  0  0  0
 22 26  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  2  0  0  0  0
 25 31  1  0  0  0  0
 25 32  2  0  0  0  0
 26 33  1  6  0  0  0
 28 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (4,002)
4002

>  <Formula> (4,002)
C31H47NaO6

>  <MolWeight> (4,002)
538.69105

>  <Item Name> (4,002)
Fusidate Sodium

>  <Catalog Number> (4,002)
S4663

>  <Synonyms> (4,002)
Fucidin, Sodium fusidate, SQ-16360

>  <Target> (4,002)
Antifection

>  <Form> (4,002)
sodium salt

>  <URL> (4,002)
http://www.selleckchem.com/products/fusidate-sodium.html

>  <CAS Number> (4,002)
751-94-0

$$$$
S4601 5-Chloro-8-hydroxy-7-iodoquinoline.cdx
csChFnd80/10101813242D

 13 14  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    3.5000    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
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0622    2.1000    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 Cl  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
    0.0000    1.4000    0.0000 I   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  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  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
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,003)
4003

>  <Formula> (4,003)
C9H5ClINO

>  <MolWeight> (4,003)
305.49957

>  <Item Name> (4,003)
Clioquinol

>  <Catalog Number> (4,003)
S4601

>  <Synonyms> (4,003)
Clioquinol, Iodochlorhydroxyquin, Chinoform

>  <Target> (4,003)
Antifection

>  <Form> (4,003)
Free Base

>  <URL> (4,003)
http://www.selleckchem.com/products/5-chloro-8-hydroxy-7-iodoquinoline.html

>  <CAS Number> (4,003)
130-26-7

$$$$
S4685 Efavirenz.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.5961    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9498    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    5.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,004)
4004

>  <Formula> (4,004)
C14H9ClF3NO2

>  <MolWeight> (4,004)
315.6749696

>  <Item Name> (4,004)
Efavirenz

>  <Catalog Number> (4,004)
S4685

>  <Synonyms> (4,004)
Sustiva, Stocrin, DMP-266, DMP 266

>  <Target> (4,004)
Reverse Transcriptase

>  <Form> (4,004)
Free Base

>  <URL> (4,004)
http://www.selleckchem.com/products/efavirenz.html

>  <CAS Number> (4,004)
154598-52-4

$$$$
S4696 ArbinoxaMine Maleate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,005)
4005

>  <Formula> (4,005)
C20H23ClN2O5

>  <MolWeight> (4,005)
406.86002

>  <Item Name> (4,005)
arbinoxaMine Maleate

>  <Catalog Number> (4,005)
S4696

>  <Synonyms> (4,005)
N/A

>  <Target> (4,005)
Histamine Receptor

>  <Form> (4,005)
maleate

>  <URL> (4,005)
http://www.selleckchem.com/products/arbinoxamine-maleate.html

>  <CAS Number> (4,005)
3505-38-2

$$$$
S4669 Benzocaine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,006)
4006

>  <Formula> (4,006)
C9H12ClNO2

>  <MolWeight> (4,006)
201.65008

>  <Item Name> (4,006)
Benzocaine hydrochloride

>  <Catalog Number> (4,006)
S4669

>  <Synonyms> (4,006)
Ethyl 4-aminobenzoate hydrochloride, Benzocaine HCl, Ethyl p-aminobenzoate hydrochloride

>  <Target> (4,006)
Sodium Channel

>  <Form> (4,006)
hydrochloride

>  <URL> (4,006)
http://www.selleckchem.com/products/benzocaine-hydrochloride.html

>  <CAS Number> (4,006)
23239-88-5

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,007)
4007

>  <Formula> (4,007)
C14H23ClN2O

>  <MolWeight> (4,007)
270.79822

>  <Item Name> (4,007)
Lidocaine hydrochloride

>  <Catalog Number> (4,007)
S4667

>  <Synonyms> (4,007)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (4,007)
Others

>  <Form> (4,007)
hydrochloride

>  <URL> (4,007)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

>  <CAS Number> (4,007)
73-78-9

$$$$
XENAZINE (tetrabenazine).cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,008)
4008

>  <Formula> (4,008)
C19H27NO3

>  <MolWeight> (4,008)
317.42258

>  <Item Name> (4,008)
Tetrabenazine (Nitoman, Xenazine)

>  <Catalog Number> (4,008)
S1789

>  <Synonyms> (4,008)
N/A

>  <Target> (4,008)
5-alpha Reductase

>  <Form> (4,008)
Free Base

>  <URL> (4,008)
http://www.selleckchem.com/products/Tetrabenazine(Nitoman).html

>  <CAS Number> (4,008)
58-46-8

$$$$
S4689 Deoxycholic acid.cdx
csChFnd80/10101813242D

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    3.6373    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2437    3.9804    0.0000 H   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  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
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  6  0  0  0
 12 18  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 23  1  0  0  0  0
  5 23  1  0  0  0  0
 23 24  1  1  0  0  0
 16 25  2  0  0  0  0
 16 26  1  0  0  0  0
 20 27  1  6  0  0  0
  1 28  1  6  0  0  0
  5 29  1  1  0  0  0
 22 30  1  6  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 12 33  1  6  0  0  0
M  END
>  <Mol_ID> (4,009)
4009

>  <Formula> (4,009)
C24H40O4

>  <MolWeight> (4,009)
392.572

>  <Item Name> (4,009)
Deoxycholic acid

>  <Catalog Number> (4,009)
S4689

>  <Synonyms> (4,009)
Deoxycholate, Desoxycholic acid, Cholerebic, Cholorebic

>  <Target> (4,009)
Others

>  <Form> (4,009)
Free Base

>  <URL> (4,009)
http://www.selleckchem.com/products/deoxycholic-acid.html

>  <CAS Number> (4,009)
83-44-3

$$$$
S4697 Saxagliptin hydrate.cdx
csChFnd80/10101813242D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.7000    7.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9124    5.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    6.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    7.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    8.1015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    4.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    6.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6461    3.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.3015    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5455    5.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    5.3015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5455    7.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9001    3.9092    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2695    3.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9695    4.8305    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0327    5.8709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4021    6.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2440    4.2631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6016    7.1978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8633    2.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8734    1.9857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    3.9063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3055    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  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
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
 10  6  1  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 20 19  1  0  0  0  0
 18 21  1  6  0  0  0
 19 22  1  6  0  0  0
 16 23  1  1  0  0  0
 23 24  3  0  0  0  0
 12 25  1  1  0  0  0
  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,010)
4010

>  <Formula> (4,010)
C18H27N3O3

>  <MolWeight> (4,010)
333.42528

>  <Item Name> (4,010)
Saxagliptin hydrate 

>  <Catalog Number> (4,010)
S4697

>  <Synonyms> (4,010)
BMS-477118 hydrate, Onglyza hydrate, BMS 477118 hydrate, BMS477118 hydrate

>  <Target> (4,010)
DPP-4

>  <Form> (4,010)
hydrate

>  <URL> (4,010)
http://www.selleckchem.com/products/saxagliptin-hydrate.html

>  <CAS Number> (4,010)
945667-22-1

$$$$
S4636 Teneligliptin hydrobromide.cdx
csChFnd80/10101813242D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.7000    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    8.4456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    8.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    9.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685   10.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2281    9.7246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227   12.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1234    7.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6908    6.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6276    5.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    5.4743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4296    6.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4928    7.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9305    4.4376    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6395    3.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8519    2.3681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8923    3.3049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3229    4.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2569    3.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1905    4.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6881    1.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5828    3.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1522    5.1843    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1118    6.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8994    5.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2729    0.0000    0.0000 R   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 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  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
 19 16  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
A   31
2.5HBr
M  END
>  <Mol_ID> (4,011)
4011

>  <Formula> (4,011)
C22H30N6ORS

>  <MolWeight> (4,011)
426.5782

>  <Item Name> (4,011)
Teneligliptin hydrobromide

>  <Catalog Number> (4,011)
S4636

>  <Synonyms> (4,011)
Teneligliptin hydrobromide anhydrous

>  <Target> (4,011)
DPP-4

>  <Form> (4,011)
hydrobromide

>  <URL> (4,011)
http://www.selleckchem.com/products/teneligliptin-hydrobromide.html

>  <CAS Number> (4,011)
906093-29-6

$$$$
Atazanavir.cdx
csChFnd80/10101813242D

 51 53  0  0  0  0  0  0  0  0999 V2000
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    2.4333    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.9073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5577    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5392    8.1986    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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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 14  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 11 25  1  1  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
 35 41  1  0  0  0  0
 13 41  1  0  0  0  0
 38 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 42  1  0  0  0  0
 28 48  1  1  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 51  1  0  0  0  0
M  END
>  <Mol_ID> (4,012)
4012

>  <Formula> (4,012)
C38H52N6O7

>  <MolWeight> (4,012)
704.85548

>  <Item Name> (4,012)
Atazanavir

>  <Catalog Number> (4,012)
S4662

>  <Synonyms> (4,012)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (4,012)
HIV Protease

>  <Form> (4,012)
Free Base

>  <URL> (4,012)
http://www.selleckchem.com/products/atazanavir-reyataz.html

>  <CAS Number> (4,012)
198904-31-3

$$$$
AT-406.cdx
csChFnd80/10101813242D

 41 44  0  0  0  0  0  0  0  0999 V2000
   12.1603    7.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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4013

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C32H43N5O4

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561.71492

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AT-406

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S2754

>  <Synonyms> (4,013)
N/A

>  <Target> (4,013)
IAP

>  <Form> (4,013)
Free Base

>  <URL> (4,013)
http://www.selleckchem.com/products/at-406.html

>  <CAS Number> (4,013)
1071992-99-8, 1071992-57-8 (HCl)

$$$$
Tazobactam.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,014)
4014

>  <Formula> (4,014)
C10H12N4O5S

>  <MolWeight> (4,014)
300.29108

>  <Item Name> (4,014)
Tazobactam

>  <Catalog Number> (4,014)
S3077

>  <Synonyms> (4,014)
N/A

>  <Target> (4,014)
Antifection

>  <Form> (4,014)
Free Base

>  <URL> (4,014)
http://www.selleckchem.com/products/tazobactam.html

>  <CAS Number> (4,014)
89786-04-9, 89785-84-2 (sodium salt)

$$$$
S4673 Etonogestrel.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,015)
4015

>  <Formula> (4,015)
C22H28O2

>  <MolWeight> (4,015)
324.45652

>  <Item Name> (4,015)
Etonogestrel

>  <Catalog Number> (4,015)
S4673

>  <Synonyms> (4,015)
Implanon, Nexplanon, 3-Oxodesogestrel, 3-keto-Desogestrel

>  <Target> (4,015)
Estrogen/progestogen Receptor

>  <Form> (4,015)
Free Base

>  <URL> (4,015)
http://www.selleckchem.com/products/etonogestrel.html

>  <CAS Number> (4,015)
54048-10-1

$$$$
S4686 Escin.cdx
csChFnd80/10101813242D

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Aescin

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Immunology & Inflammation related

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Free Base

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

>  <CAS Number> (4,016)
6805-41-0

$$$$
TH-302.cdx
csChFnd80/10101813242D

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N/A

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P450

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free base

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http://www.selleckchem.com/products/th-302.html

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918633-87-1

$$$$
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>  <Formula> (4,018)
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Cinnarizine

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Stugeron|Dimitronal|Stutgin|Cinarizine

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Free Base

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

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298-57-7

$$$$
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M  END
>  <Mol_ID> (4,019)
4019

>  <Formula> (4,019)
C34H24N6Na4O14S4

>  <MolWeight> (4,019)
960.80524

>  <Item Name> (4,019)
Evans Blue

>  <Catalog Number> (4,019)
S4716

>  <Synonyms> (4,019)
Direct Blue 53

>  <Target> (4,019)
GluR

>  <Form> (4,019)
sodium salt

>  <URL> (4,019)
http://www.selleckchem.com/products/evans-blue.html

>  <CAS Number> (4,019)
314-13-6

$$$$
S4711 Esculetin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,020)
4020

>  <Formula> (4,020)
C9H6O4

>  <MolWeight> (4,020)
178.14154

>  <Item Name> (4,020)
Esculetin

>  <Catalog Number> (4,020)
S4711

>  <Synonyms> (4,020)
Cichorigenin|Aesculetin

>  <Target> (4,020)
Others

>  <Form> (4,020)
Free Base

>  <URL> (4,020)
http://www.selleckchem.com/products/esculetin.html

>  <CAS Number> (4,020)
305-01-1

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,021)
4021

>  <Formula> (4,021)
C10H7NO3

>  <MolWeight> (4,021)
189.16748

>  <Item Name> (4,021)
Kynurenic acid

>  <Catalog Number> (4,021)
S4719

>  <Synonyms> (4,021)
Quinurenic acid|Kynurenate

>  <Target> (4,021)
Others

>  <Form> (4,021)
Free Base

>  <URL> (4,021)
http://www.selleckchem.com/products/kynurenic-acid.html

>  <CAS Number> (4,021)
492-27-3

$$$$
S4728 3,3'-Diindolylmethane.cdx
csChFnd80/10101813242D

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   10.4516    3.2912    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
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M  END
>  <Mol_ID> (4,022)
4022

>  <Formula> (4,022)
C17H14N2

>  <MolWeight> (4,022)
246.30646

>  <Item Name> (4,022)
3,3'-Diindolylmethane

>  <Catalog Number> (4,022)
S4728

>  <Synonyms> (4,022)
DIM

>  <Target> (4,022)
Others

>  <Form> (4,022)
Free Base

>  <URL> (4,022)
http://www.selleckchem.com/products/3-3-diindolylmethane.html

>  <CAS Number> (4,022)
1968-05-4

$$$$
S4717 Isatin.cdx
csChFnd80/10101813242D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,023)
4023

>  <Formula> (4,023)
C8H5NO2

>  <MolWeight> (4,023)
147.1308

>  <Item Name> (4,023)
Isatin

>  <Catalog Number> (4,023)
S4717

>  <Synonyms> (4,023)
2,3-Indolinedione

>  <Target> (4,023)
MAO

>  <Form> (4,023)
Free Base

>  <URL> (4,023)
http://www.selleckchem.com/products/isatin.html

>  <CAS Number> (4,023)
91-56-5

$$$$
S4715 Benzamide.cdx
csChFnd80/10101813242D

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    2.1001    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,024)
4024

>  <Formula> (4,024)
C7H7NO

>  <MolWeight> (4,024)
121.13658

>  <Item Name> (4,024)
Benzamide

>  <Catalog Number> (4,024)
S4715

>  <Synonyms> (4,024)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (4,024)
Others

>  <Form> (4,024)
Free Base

>  <URL> (4,024)
http://www.selleckchem.com/products/benzamide.html

>  <CAS Number> (4,024)
55-21-0

$$$$
S4708 Palmitoylethanolamide.cdx
csChFnd80/10101813242D

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   14.5056    0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0851    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,025)
4025

>  <Formula> (4,025)
C18H37NO2

>  <MolWeight> (4,025)
299.49188

>  <Item Name> (4,025)
Palmitoylethanolamide

>  <Catalog Number> (4,025)
S4708

>  <Synonyms> (4,025)
Palmidrol|N-palmitoylethanolamine

>  <Target> (4,025)
PPAR

>  <Form> (4,025)
Free Base

>  <URL> (4,025)
http://www.selleckchem.com/products/palmitoylethanolamide.html

>  <CAS Number> (4,025)
544-31-0

$$$$
S4718 Acetylcholine iodide.cdx
csChFnd80/10101813242D

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    2.4249    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    2.3606    0.0000 I   0  5  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,026)
4026

>  <Formula> (4,026)
C7H16INO2

>  <MolWeight> (4,026)
273.11191

>  <Item Name> (4,026)
Acetylcholine iodide

>  <Catalog Number> (4,026)
S4718

>  <Synonyms> (4,026)
Acetylcolina

>  <Target> (4,026)
Others

>  <Form> (4,026)
iodide salt

>  <URL> (4,026)
http://www.selleckchem.com/products/acetylcholine-iodide.html

>  <CAS Number> (4,026)
2260-50-6

$$$$
S4714 (-)-Menthol.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6235    2.1002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6192    3.4946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4011    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    4.1946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2017    2.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0480    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.2174    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  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  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  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  1  0  0  0
M  END
>  <Mol_ID> (4,027)
4027

>  <Formula> (4,027)
C10H20O

>  <MolWeight> (4,027)
156.2652

>  <Item Name> (4,027)
(-)-Menthol

>  <Catalog Number> (4,027)
S4714

>  <Synonyms> (4,027)
L-Menthol|Levomenthol|Menthomenthol|Menthacamphor

>  <Target> (4,027)
Others

>  <Form> (4,027)
Free Base

>  <URL> (4,027)
http://www.selleckchem.com/products/-menthol.html

>  <CAS Number> (4,027)
2216-51-5

$$$$
TEGISON (etretinate).cdx
csChFnd80/10101813242D

 26 26  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
    2.4249    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4074    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    4.2073    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
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1 10  1  0  0  0  0
  6 11  1  0  0  0  0
  5 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 18  1  0  0  0  0
 18 19  2  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
 14 24  1  0  0  0  0
 18 25  1  0  0  0  0
 20 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,028)
4028

>  <Formula> (4,028)
C23H30O3

>  <MolWeight> (4,028)
354.4825

>  <Item Name> (4,028)
Etretinate

>  <Catalog Number> (4,028)
S4699

>  <Synonyms> (4,028)
N/A

>  <Target> (4,028)
Retinoid Receptor

>  <Form> (4,028)
Free Base

>  <URL> (4,028)
http://www.selleckchem.com/products/etretinate.html

>  <CAS Number> (4,028)
54350-48-0

$$$$
S4726 Lauric Acid.cdx
csChFnd80/10101813242D

 14 13  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    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
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   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    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 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> (4,029)
4029

>  <Formula> (4,029)
C12H24O2

>  <MolWeight> (4,029)
200.31776

>  <Item Name> (4,029)
Lauric Acid

>  <Catalog Number> (4,029)
S4726

>  <Synonyms> (4,029)
N/A

>  <Target> (4,029)
Others

>  <Form> (4,029)
Free Base

>  <URL> (4,029)
http://www.selleckchem.com/products/lauric-acid.html

>  <CAS Number> (4,029)
143-07-7

$$$$
S4725 Benzenesulfonamide.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1875    0.0000 C   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
    0.7000    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,030)
4030

>  <Formula> (4,030)
C6H7NO2S

>  <MolWeight> (4,030)
157.19028

>  <Item Name> (4,030)
Benzenesulfonamide

>  <Catalog Number> (4,030)
S4725

>  <Synonyms> (4,030)
N/A

>  <Target> (4,030)
Carbonic Anhydrase

>  <Form> (4,030)
Free Base

>  <URL> (4,030)
http://www.selleckchem.com/products/benzenesulfonamide.html

>  <CAS Number> (4,030)
98-10-2

$$$$
Pantoprazole.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2039    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8182    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.7255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    2.4207    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.2966    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6991    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4942    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8942    3.6331    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
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  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 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,031)
4031

>  <Formula> (4,031)
C16H15F2N3O4S

>  <MolWeight> (4,031)
383.3698064

>  <Item Name> (4,031)
Pantoprazole (Protonix)

>  <Catalog Number> (4,031)
S2105

>  <Synonyms> (4,031)
N/A

>  <Target> (4,031)
Proton Pump

>  <Form> (4,031)
Free Base

>  <URL> (4,031)
http://www.selleckchem.com/products/pantoprazole-protonix.html

>  <CAS Number> (4,031)
102625-70-7

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1000    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  1  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
    4.2000    2.4249    0.0000 C   0  0  3  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
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 O   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  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,032)
4032

>  <Formula> (4,032)
C6H12O5

>  <MolWeight> (4,032)
164.15648

>  <Item Name> (4,032)
2-Deoxy-D-glucose

>  <Catalog Number> (4,032)
S4701

>  <Synonyms> (4,032)
2-deoxyglucose, NSC 15193

>  <Target> (4,032)
Others

>  <Form> (4,032)
Free Base

>  <URL> (4,032)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

>  <CAS Number> (4,032)
154-17-6

$$$$
S4710 Picolinamide.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   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
  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
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,033)
4033

>  <Formula> (4,033)
C6H6N2O

>  <MolWeight> (4,033)
122.12464

>  <Item Name> (4,033)
Picolinamide

>  <Catalog Number> (4,033)
S4710

>  <Synonyms> (4,033)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (4,033)
PARP

>  <Form> (4,033)
Free Base

>  <URL> (4,033)
http://www.selleckchem.com/products/picolinamide.html

>  <CAS Number> (4,033)
1452-77-3

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/10101813242D

 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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    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
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  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
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,034)
4034

>  <Formula> (4,034)
C15H14O6

>  <MolWeight> (4,034)
290.26806

>  <Item Name> (4,034)
(-)Epicatechin

>  <Catalog Number> (4,034)
S4723

>  <Synonyms> (4,034)
L-Epicatechin, (-)-Epicatechol

>  <Target> (4,034)
Others

>  <Form> (4,034)
Free Base

>  <URL> (4,034)
http://www.selleckchem.com/products/-epicatechin.html

>  <CAS Number> (4,034)
490-46-0

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/10101813242D

 27 30  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
    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
    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
    3.6373    0.0000    0.0000 S   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
    4.8497    2.1000    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
    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
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    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  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
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,035)
4035

>  <Formula> (4,035)
C21H26ClN3OS

>  <MolWeight> (4,035)
403.96864

>  <Item Name> (4,035)
Perphenazine

>  <Catalog Number> (4,035)
S4731

>  <Synonyms> (4,035)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (4,035)
Dopamine Receptor

>  <Form> (4,035)
Free Base

>  <URL> (4,035)
http://www.selleckchem.com/products/perphenazine.html

>  <CAS Number> (4,035)
58-39-9

$$$$
Prochlorperazine dimaleate salt.cdx
csChFnd80/10101813242D

 41 42  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.0816    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.8816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.8816    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.0816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.4816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9805    6.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1899    7.5319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7734    7.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7756    8.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9849    9.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1921    8.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9871   11.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9784    5.4411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4802    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6895    2.0908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2731    2.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2753    3.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4846    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917    3.4859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4868    5.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4780    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  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
  1 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  2  1  0  0  0  0
  9 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 26 33  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 34 41  2  0  0  0  0
M  END
>  <Mol_ID> (4,036)
4036

>  <Formula> (4,036)
C28H32ClN3O8S

>  <MolWeight> (4,036)
606.08698

>  <Item Name> (4,036)
Prochlorperazine dimaleate salt

>  <Catalog Number> (4,036)
S4631

>  <Synonyms> (4,036)
Prochlorperazin, Compazine, Capazine, Stemetil

>  <Target> (4,036)
Dopamine Receptor

>  <Form> (4,036)
dimaleate

>  <URL> (4,036)
http://www.selleckchem.com/products/prochlorperazine.html

>  <CAS Number> (4,036)
84-02-6

$$$$
S4732 MPTP hydrochloride.cdx
csChFnd80/10101813242D

 14 14  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
    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
    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
    3.6373    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
    6.0622    2.8000    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
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0353    0.1664    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
  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  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,037)
4037

>  <Formula> (4,037)
C12H16ClN

>  <MolWeight> (4,037)
209.71514

>  <Item Name> (4,037)
MPTP hydrochloride

>  <Catalog Number> (4,037)
S4732

>  <Synonyms> (4,037)
N/A

>  <Target> (4,037)
Dopamine Receptor

>  <Form> (4,037)
hydrochloride

>  <URL> (4,037)
http://www.selleckchem.com/products/mptp-hydrochloride.html

>  <CAS Number> (4,037)
23007-85-4

$$$$
S4729 Tamsulosin hydrochloride.cdx
csChFnd80/10101813242D

 29 29  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
    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
    4.8497    2.1000    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    2.8000    0.0000 S   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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  1  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
    8.4870    2.8000    0.0000 N   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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    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
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 N   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
    9.3570    0.1246    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
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 25  2  0  0  0  0
  7 26  2  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,038)
4038

>  <Formula> (4,038)
C20H29ClN2O5S

>  <MolWeight> (4,038)
444.97266

>  <Item Name> (4,038)
Tamsulosin hydrochloride

>  <Catalog Number> (4,038)
S4729

>  <Synonyms> (4,038)
Tamsulosina hydrochloride, Tamsulosinum hydrochloride

>  <Target> (4,038)
Adrenergic Receptor

>  <Form> (4,038)
hydrochloride

>  <URL> (4,038)
http://www.selleckchem.com/products/tamsulosin-hydrochloride.html

>  <CAS Number> (4,038)
106463-17-6

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/10101813242D

 52 56  0  0  0  0  0  0  0  0999 V2000
   10.9455    3.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2911    3.9469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9455    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    4.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1128    2.8021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7306    5.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2825    1.6712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    3.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    5.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5127    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1015    5.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7406    6.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4990    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5096    6.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2033    1.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2082    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5410    6.8893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5096    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5927    1.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6010    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9119    7.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5510    7.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    8.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    8.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2894    2.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2927    0.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3514    8.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9134    9.2316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1988    7.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    7.7247    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6894    2.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7092    8.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3860    9.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    8.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    6.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883   10.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8594   10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    5.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    5.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2586   11.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5667   10.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    6.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    8.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7261   12.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    7.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6112    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  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  1  0  0  0
  5  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  1  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 27  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  2  0  0  0  0
 32 25  1  0  0  0  0
 27 33  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  2  0  0  0  0
 32 36  1  0  0  0  0
 32 37  1  1  0  0  0
 34 38  2  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
 37 42  2  0  0  0  0
 38 43  1  0  0  0  0
 38 44  1  0  0  0  0
 39 43  2  0  0  0  0
 40 45  2  0  0  0  0
 40 46  1  0  0  0  0
 43 47  1  0  0  0  0
 45 48  1  0  0  0  0
 46 49  2  0  0  0  0
 48 50  2  0  0  0  0
 48 51  1  0  0  0  0
 49 50  1  0  0  0  0
 50 52  1  0  0  0  0
M  END
>  <Mol_ID> (4,039)
4039

>  <Formula> (4,039)
C36H30O16

>  <MolWeight> (4,039)
718.6138

>  <Item Name> (4,039)
Salvianolic acid B

>  <Catalog Number> (4,039)
S4735

>  <Synonyms> (4,039)
Lithospermate B

>  <Target> (4,039)
Others

>  <Form> (4,039)
Free Base

>  <URL> (4,039)
http://www.selleckchem.com/products/salvianolic-acid-b.html

>  <CAS Number> (4,039)
121521-90-2

$$$$
S4733 Retigabine.cdx
csChFnd80/10101813242D

 22 23  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
    2.4249    4.9000    0.0000 N   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
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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
    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
    3.6373    2.8000    0.0000 C   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
    8.4870    2.8000    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    2.8000    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
   12.1244    0.7000    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
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 F   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
    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
  5  6  1  0  0  0  0
  6  7  2  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
  5 10  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 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
 11 12  1  0  0  0  0
  8 11  1  0  0  0  0
  6 20  1  0  0  0  0
  2  5  1  0  0  0  0
 21 22  1  0  0  0  0
  4 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,040)
4040

>  <Formula> (4,040)
C16H18FN3O2

>  <MolWeight> (4,040)
303.3314232

>  <Item Name> (4,040)
Retigabine

>  <Catalog Number> (4,040)
S4733

>  <Synonyms> (4,040)
N-(2-amino-4-[fluorobenzylamino]-phenyl) carbamic acid|D-23129

>  <Target> (4,040)
Potassium Channel

>  <Form> (4,040)
Free Base

>  <URL> (4,040)
http://www.selleckchem.com/products/retigabine.html

>  <CAS Number> (4,040)
150812-12-7

$$$$
S4736 Trapidil.cdx
csChFnd80/10101813242D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 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
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
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  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
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  2 15  1  0  0  0  0
  4  3  1  0  0  0  0
  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (4,041)
4041

>  <Formula> (4,041)
C10H15N5

>  <MolWeight> (4,041)
205.2596

>  <Item Name> (4,041)
Trapidil

>  <Catalog Number> (4,041)
S4736

>  <Synonyms> (4,041)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (4,041)
PDGFR

>  <Form> (4,041)
Free Base

>  <URL> (4,041)
http://www.selleckchem.com/products/trapidil.html

>  <CAS Number> (4,041)
15421-84-8

$$$$
S4747 Jervine.cdx
csChFnd80/10101813242D

 36 41  0  0  0  0  0  0  0  0999 V2000
    8.8342    5.3534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4492    5.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1465    5.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2584    6.6295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4670    4.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6608    4.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8888    6.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5254    6.8993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2855    7.6307    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1950    6.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6527    2.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2623    3.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2548    4.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6934    2.0907    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.9332    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,042)
4042

>  <Formula> (4,042)
C27H39NO3

>  <MolWeight> (4,042)
425.60346

>  <Item Name> (4,042)
Jervine

>  <Catalog Number> (4,042)
S4747

>  <Synonyms> (4,042)
11-Ketocyclopamine

>  <Target> (4,042)
Hedgehog/Smoothened

>  <Form> (4,042)
Free Base

>  <URL> (4,042)
http://www.selleckchem.com/products/jervine.html

>  <CAS Number> (4,042)
469-59-0

$$$$
S4746 (20S)-Protopanaxadiol.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,043)
4043

>  <Formula> (4,043)
C30H52O3

>  <MolWeight> (4,043)
460.73208

>  <Item Name> (4,043)
(20S)-Protopanaxadiol

>  <Catalog Number> (4,043)
S4746

>  <Synonyms> (4,043)
20-Epiprotopanaxadiol

>  <Target> (4,043)
Others

>  <Form> (4,043)
Free Base

>  <URL> (4,043)
http://www.selleckchem.com/products/20s-protopanaxadiol.html

>  <CAS Number> (4,043)
30636-90-9

$$$$
S4739 Oxyresveratrol.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,044)
4044

>  <Formula> (4,044)
C14H12O4

>  <MolWeight> (4,044)
244.24268

>  <Item Name> (4,044)
Oxyresveratrol

>  <Catalog Number> (4,044)
S4739

>  <Synonyms> (4,044)
Tetrahydroxystilbene, 2,3',4,5'-tetrahydroxystilbene

>  <Target> (4,044)
Others

>  <Form> (4,044)
Free Base

>  <URL> (4,044)
http://www.selleckchem.com/products/oxyresveratrol.html

>  <CAS Number> (4,044)
29700-22-9

$$$$
S4738 Arctiin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,045)
4045

>  <Formula> (4,045)
C27H34O11

>  <MolWeight> (4,045)
534.55226

>  <Item Name> (4,045)
Arctiin

>  <Catalog Number> (4,045)
S4738

>  <Synonyms> (4,045)
Arctigenin-4-Glucoside, NSC 315527

>  <Target> (4,045)
Others

>  <Form> (4,045)
Free Base

>  <URL> (4,045)
http://www.selleckchem.com/products/arctiin.html

>  <CAS Number> (4,045)
20362-31-6

$$$$
S4737 Psoralen.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,046)
4046

>  <Formula> (4,046)
C11H6O3

>  <MolWeight> (4,046)
186.16354

>  <Item Name> (4,046)
Psoralen

>  <Catalog Number> (4,046)
S4737

>  <Synonyms> (4,046)
psoralene, Ficusin, Furocoumarin

>  <Target> (4,046)
DNA/RNA Synthesis

>  <Form> (4,046)
Free Base

>  <URL> (4,046)
http://www.selleckchem.com/products/psoralen.html

>  <CAS Number> (4,046)
66-97-7

$$$$
Genistin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,047)
4047

>  <Formula> (4,047)
C21H20O10

>  <MolWeight> (4,047)
432.3775

>  <Item Name> (4,047)
Genistin (Genistoside)

>  <Catalog Number> (4,047)
S2301

>  <Synonyms> (4,047)
Genistoside, Genistine, Genistein 7-glucoside, Genistein glucoside

>  <Target> (4,047)
Others

>  <Form> (4,047)
Free Base

>  <URL> (4,047)
http://www.selleckchem.com/products/Genistin(Genistoside).html

>  <CAS Number> (4,047)
529-59-9

$$$$
S4742 Rebaudioside C.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,048)
4048

>  <Formula> (4,048)
C44H70O22

>  <MolWeight> (4,048)
951.0134

>  <Item Name> (4,048)
Rebaudioside C

>  <Catalog Number> (4,048)
S4742

>  <Synonyms> (4,048)
Dulcoside B

>  <Target> (4,048)
Others

>  <Form> (4,048)
Free Base

>  <URL> (4,048)
http://www.selleckchem.com/products/rebaudioside-c.html

>  <CAS Number> (4,048)
63550-99-2

$$$$
S4743 Wogonin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,049)
4049

>  <Formula> (4,049)
C16H12O5

>  <MolWeight> (4,049)
284.26348

>  <Item Name> (4,049)
Wogonin

>  <Catalog Number> (4,049)
S4743

>  <Synonyms> (4,049)
Vogonin

>  <Target> (4,049)
CDK

>  <Form> (4,049)
Free Base

>  <URL> (4,049)
http://www.selleckchem.com/products/wogonin.html

>  <CAS Number> (4,049)
632-85-9

$$$$
S4750 Sulfacetamide sodium salt hydrate.cdx
csChFnd80/10101813242D

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    7.7000    2.3231    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    5.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349    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  2  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,050)
4050

>  <Formula> (4,050)
C8H11N2NaO4S

>  <MolWeight> (4,050)
254.23871

>  <Item Name> (4,050)
Sulfacetamide Sodium salt hydrate

>  <Catalog Number> (4,050)
S4750

>  <Synonyms> (4,050)
N/A

>  <Target> (4,050)
Autophagy

>  <Form> (4,050)
sodium salt hyd

>  <URL> (4,050)
http://www.selleckchem.com/products/sulfacetamide-sodium-salt-hydrate.html

>  <CAS Number> (4,050)
6209-17-2

$$$$
S4749 Citalopram HBr.cdx
csChFnd80/10101813242D

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.1812    5.1159    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    5.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6118    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    6.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    4.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2195    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    7.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8653    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    4.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4729    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    5.1159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9035    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    4.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2787    2.1544    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  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
  6 12  1  0  0  0  0
  6 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  3  0  0  0  0
M  END
>  <Mol_ID> (4,051)
4051

>  <Formula> (4,051)
C20H22BrFN2O

>  <MolWeight> (4,051)
405.3038832

>  <Item Name> (4,051)
Citalopram HBr

>  <Catalog Number> (4,051)
S4749

>  <Synonyms> (4,051)
Nitalapram HBr, Prepram HBr, Bonitrile HBr, Lu 10-171 HBr

>  <Target> (4,051)
5-HT Receptor

>  <Form> (4,051)
hydrobromide

>  <URL> (4,051)
http://www.selleckchem.com/products/citalopram-hbr.html

>  <CAS Number> (4,051)
59729-32-7

$$$$
S4748 Ondansetron HCl.cdx
csChFnd80/10101813242D

 25 25  0  0  0  0  0  0  0  0999 V2000
    6.5550    3.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2274    4.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5550    2.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7693    4.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    3.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6624    5.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2197    2.0963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7657    1.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862    3.9228    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7693    6.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0088    3.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2706    5.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7825    0.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9736    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    4.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    4.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4117    3.9157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5487    2.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6880    4.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9192    2.2180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5051    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6192    3.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   12.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7813    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  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,052)
4052

>  <Formula> (4,052)
C18H24ClN3O3

>  <MolWeight> (4,052)
365.85446

>  <Item Name> (4,052)
Ondansetron Hydrochloride Dihydrate

>  <Catalog Number> (4,052)
S4748

>  <Synonyms> (4,052)
N/A

>  <Target> (4,052)
5-HT Receptor

>  <Form> (4,052)
hydrochloride

>  <URL> (4,052)
http://www.selleckchem.com/products/ondansetron-hcl.html

>  <CAS Number> (4,052)
103639-04-9

$$$$
S4752 Corticosterone.cdx
csChFnd80/10101813242D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8554    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.0975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6416    2.1025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8583    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2803    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0636    0.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4305    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0721    4.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9605    5.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6109    2.3597    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
    2.4249    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155    4.6250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4323    5.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4361    3.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0508    5.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4208    6.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1161    6.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2996    5.1541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6426    1.4428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.4975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    3.5025    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
  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  1  0  0  0  0
  4 10  1  1  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  1  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  1  0  0  0
 16 18  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  6  0  0  0
  5 26  1  6  0  0  0
  2 27  1  1  0  0  0
  3 28  1  1  0  0  0
M  END
>  <Mol_ID> (4,053)
4053

>  <Formula> (4,053)
C21H30O4

>  <MolWeight> (4,053)
346.4605

>  <Item Name> (4,053)
Corticosterone

>  <Catalog Number> (4,053)
S4752

>  <Synonyms> (4,053)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (4,053)
Glucocorticoid Receptor

>  <Form> (4,053)
Free Base

>  <URL> (4,053)
http://www.selleckchem.com/products/corticosterone.html

>  <CAS Number> (4,053)
50-22-6

$$$$
S4751 Cisapride.cdx
csChFnd80/10101813242D

 33 34  0  0  0  0  0  0  0  0999 V2000
    3.6442    3.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6442    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    4.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221    1.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    1.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0677    3.5029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    5.6017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    3.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    4.2025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0011    4.1958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4928    3.5019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2794    5.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7086    4.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4928    2.1027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4958    6.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7092    5.6039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7045    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9210    6.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1336    5.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3449    6.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5568    5.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7685    6.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7685    7.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9847    5.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9833    8.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2016    6.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1964    7.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4081    8.4075    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9068    3.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  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  1  0  0  0  0
  6 11  1  0  0  0  0
 12  7  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  1  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  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
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (4,054)
4054

>  <Formula> (4,054)
C23H31ClFN3O5

>  <MolWeight> (4,054)
483.9607432

>  <Item Name> (4,054)
Cisapride hydrate

>  <Catalog Number> (4,054)
S4751

>  <Synonyms> (4,054)
Propulsid, Alimix, Propulsin, Enteropride, Kinestase

>  <Target> (4,054)
5-HT Receptor

>  <Form> (4,054)
hydrate

>  <URL> (4,054)
http://www.selleckchem.com/products/cisapride.html

>  <CAS Number> (4,054)
260779-88-2

$$$$
Imidapril hydrochloride.cdx
csChFnd80/10101813242D

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    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  6  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,055)
4055

>  <Formula> (4,055)
C20H28ClN3O6

>  <MolWeight> (4,055)
441.90582

>  <Item Name> (4,055)
Imidapril HCl

>  <Catalog Number> (4,055)
S2109

>  <Synonyms> (4,055)
N/A

>  <Target> (4,055)
RAAS

>  <Form> (4,055)
Hydrochloride

>  <URL> (4,055)
http://www.selleckchem.com/products/imidapril-tanatril.html

>  <CAS Number> (4,055)
89396-94-1

$$$$
S4678 Povidone iodine.cdx
csChFnd80/10101813242D

 12 10  0  0  0  0  0  0  0  0999 V2000
    0.0756    3.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3409    3.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638    0.0000    0.0000 R   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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  5  1  1  0  0  0  0
  3  6  2  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
A   11
n
A   12
xI2
M  END
>  <Mol_ID> (4,056)
4056

>  <Formula> (4,056)
C8H15NOR2

>  <MolWeight> (4,056)
141.2108

>  <Item Name> (4,056)
Povidone iodine

>  <Catalog Number> (4,056)
S4678

>  <Synonyms> (4,056)
Betadine, PVP iodine, PVP-I, Isodine

>  <Target> (4,056)
Antifection

>  <Form> (4,056)
iodine

>  <URL> (4,056)
http://www.selleckchem.com/products/povidone-iodine.html

>  <CAS Number> (4,056)
25655-41-8

$$$$
Azatadine dimaleate.cdx
csChFnd80/10101813242D

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    5.0965    7.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7070    5.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1034    5.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8891    7.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1028    4.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 38  1  0  0  0  0
M  END
>  <Mol_ID> (4,057)
4057

>  <Formula> (4,057)
C28H30N2O8

>  <MolWeight> (4,057)
522.5464

>  <Item Name> (4,057)
Azatadine dimaleate

>  <Catalog Number> (4,057)
S3186

>  <Synonyms> (4,057)
SCH10649

>  <Target> (4,057)
Histamine Receptor

>  <Form> (4,057)
Dimaleate

>  <URL> (4,057)
http://www.selleckchem.com/products/azatadine-dimaleate.html

>  <CAS Number> (4,057)
3978-86-7

$$$$
S1499 Cefaclor.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,058)
4058

>  <Formula> (4,058)
C15H16ClN3O5S

>  <MolWeight> (4,058)
385.82264

>  <Item Name> (4,058)
Cefaclor

>  <Catalog Number> (4,058)
S1499

>  <Synonyms> (4,058)
Cefachlor, Cefaclorum

>  <Target> (4,058)
Antifection

>  <Form> (4,058)
monohydrate

>  <URL> (4,058)
http://www.selleckchem.com/products/Cefaclor-(Ceclor).html

>  <CAS Number> (4,058)
70356-03-5

$$$$
S4753  Ganoderic acid A.cdx
csChFnd80/10101813242D

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>  <Formula> (4,059)
C30H44O7

>  <MolWeight> (4,059)
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>  <Item Name> (4,059)
Ganoderic acid A

>  <Catalog Number> (4,059)
S4753

>  <Synonyms> (4,059)
N/A

>  <Target> (4,059)
others

>  <Form> (4,059)
free base

>  <URL> (4,059)
http://www.selleckchem.com/products/ganoderic-acid-a.html

>  <CAS Number> (4,059)
81907-62-2

$$$$
Stavudine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,060)
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>  <Formula> (4,060)
C10H12N2O4

>  <MolWeight> (4,060)
224.21328

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Stavudine

>  <Catalog Number> (4,060)
S1398

>  <Synonyms> (4,060)
BMY-27857, Sanilvudine, NSC 163661

>  <Target> (4,060)
Reverse Transcriptase

>  <Form> (4,060)
free base

>  <URL> (4,060)
http://selleckchem.com/products/Stavudine.html

>  <CAS Number> (4,060)
3056-17-5

$$$$
NS-187.cdx
csChFnd80/10101813242D

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4061

>  <Formula> (4,061)
C30H31F3N8O

>  <MolWeight> (4,061)
576.6153496

>  <Item Name> (4,061)
Bafetinib (INNO-406)

>  <Catalog Number> (4,061)
S1369

>  <Synonyms> (4,061)
NS-187

>  <Target> (4,061)
Abl,Lyn

>  <Form> (4,061)
Free Base

>  <URL> (4,061)
http://www.selleckchem.com/products/Bafetinib.html

>  <CAS Number> (4,061)
859212-16-1

$$$$
S3608 Demethylzeylasteral.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,062)
4062

>  <Formula> (4,062)
C29H36O6

>  <MolWeight> (4,062)
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>  <Item Name> (4,062)
Demethylzeylasteral (T-96)

>  <Catalog Number> (4,062)
S3608

>  <Synonyms> (4,062)
N/A

>  <Target> (4,062)
UGT1A6,UGT2B7

>  <Form> (4,062)
free base

>  <URL> (4,062)
http://www.selleckchem.com/products/demethylzeylasteral-t-96.html

>  <CAS Number> (4,062)
107316-88-1

$$$$
S4757 Dihydrotestosterone.cdx
csChFnd80/10101813242D

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    4.8469    2.1058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2607    2.1174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2607    6.3075    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
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  7 25  1  1  0  0  0
M  END
>  <Mol_ID> (4,063)
4063

>  <Formula> (4,063)
C19H30O2

>  <MolWeight> (4,063)
290.4403

>  <Item Name> (4,063)
Dihydrotestosterone (DHT)

>  <Catalog Number> (4,063)
S4757

>  <Synonyms> (4,063)
androstanolone, stanolone, 5¦Á-DHT

>  <Target> (4,063)
androgen receptor

>  <Form> (4,063)
free base

>  <URL> (4,063)
http://www.selleckchem.com/products/dihydrotestosterone.html

>  <CAS Number> (4,063)
521-18-6

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,064)
4064

>  <Formula> (4,064)
C37H42Cl2N2O6

>  <MolWeight> (4,064)
681.64518

>  <Item Name> (4,064)
Berbamine (dihydrochloride)

>  <Catalog Number> (4,064)
S3609

>  <Synonyms> (4,064)
N/A

>  <Target> (4,064)
NF-¦ÊB,bcr/abl

>  <Form> (4,064)
dihydrochloride

>  <URL> (4,064)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

>  <CAS Number> (4,064)
6078-17-7

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9118    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,065)
4065

>  <Formula> (4,065)
C18H16O8

>  <MolWeight> (4,065)
360.31484

>  <Item Name> (4,065)
Rosmarinic acid

>  <Catalog Number> (4,065)
S3612

>  <Synonyms> (4,065)
Rosemary acid

>  <Target> (4,065)
IKK ¦Â

>  <Form> (4,065)
free base

>  <URL> (4,065)
http://www.selleckchem.com/products/rosmarinic-acid.html

>  <CAS Number> (4,065)
20283-92-5

$$$$
S3618 Acetylspiramycin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,066)
4066

>  <Formula> (4,066)
C45H76N2O15

>  <MolWeight> (4,066)
885.08934

>  <Item Name> (4,066)
Acetylspiramycin (ASPM)

>  <Catalog Number> (4,066)
S3618

>  <Synonyms> (4,066)
Spiramycin II, Foromacidin B

>  <Target> (4,066)
Others

>  <Form> (4,066)
free base

>  <URL> (4,066)
http://www.selleckchem.com/products/acetylspiramycin.html

>  <CAS Number> (4,066)
24916-51-6

$$$$
S3605 Borneol.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,067)
4067

>  <Formula> (4,067)
C10H18O

>  <MolWeight> (4,067)
154.24932

>  <Item Name> (4,067)
Borneol

>  <Catalog Number> (4,067)
S3605

>  <Synonyms> (4,067)
N/A

>  <Target> (4,067)
TRPM8

>  <Form> (4,067)
free base

>  <URL> (4,067)
http://www.selleckchem.com/products/borneol.html

>  <CAS Number> (4,067)
507-70-0

$$$$
S3606 Fangchinoline.cdx
csChFnd80/10101813242D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,068)
4068

>  <Formula> (4,068)
C37H40N2O6

>  <MolWeight> (4,068)
608.7233

>  <Item Name> (4,068)
Fangchinoline

>  <Catalog Number> (4,068)
S3606

>  <Synonyms> (4,068)
N/A

>  <Target> (4,068)
HIV-1

>  <Form> (4,068)
free base

>  <URL> (4,068)
http://www.selleckchem.com/products/fangchinoline.html

>  <CAS Number> (4,068)
33889-68-8

$$$$
S3691 4-Chlorosalicylic acid.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6385    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265    2.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0014    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
    1.2137    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0634    2.0993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8522    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0028    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
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  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> (4,069)
4069

>  <Formula> (4,069)
C7H5ClO3

>  <MolWeight> (4,069)
172.5658

>  <Item Name> (4,069)
4-Chloro-2-hydroxybenzoic acid

>  <Catalog Number> (4,069)
S3691

>  <Synonyms> (4,069)
4-chloro salicylic acid

>  <Target> (4,069)
Others

>  <Form> (4,069)
free base

>  <URL> (4,069)
http://www.selleckchem.com/products/4-chlorosalicylic-acid.html

>  <CAS Number> (4,069)
5106-98-9

$$$$
S3692 N-Ethylmaleimide.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4560    2.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3325    2.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5871    2.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7616    4.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    4.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158    2.4734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6662    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  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (4,070)
4070

>  <Formula> (4,070)
C6H7NO2

>  <MolWeight> (4,070)
125.12528

>  <Item Name> (4,070)
N-Ethylmaleimide (NEM)

>  <Catalog Number> (4,070)
S3692

>  <Synonyms> (4,070)
N/A

>  <Target> (4,070)
cysteine peptidases

>  <Form> (4,070)
free base

>  <URL> (4,070)
http://www.selleckchem.com/products/n-ethylmaleimide-nem.html

>  <CAS Number> (4,070)
128-53-0

$$$$
S3696 PTP Inhibitor I.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6288    2.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    0.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    2.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2053    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0515    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    4.2170    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
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    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
  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
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
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  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,071)
4071

>  <Formula> (4,071)
C8H7BrO2

>  <MolWeight> (4,071)
215.04398

>  <Item Name> (4,071)
PTP Inhibitor I

>  <Catalog Number> (4,071)
S3696

>  <Synonyms> (4,071)
¦Á-Bromo-4-hydroxyacetophenone,SHP-1 Inhibitor II

>  <Target> (4,071)
protein tyrosine phosphatase

>  <Form> (4,071)
free base

>  <URL> (4,071)
http://www.selleckchem.com/products/ptp-inhibitor-i.html

>  <CAS Number> (4,071)
2491-38-5

$$$$
S3697 Mafenide hydrochloride.cdx
csChFnd80/10101813242D

 13 12  0  0  0  0  0  0  0  0999 V2000
    4.8376    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192    3.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0440    3.9451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4128    3.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2504    4.6554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3336    5.1514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7543    2.7387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4226    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  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
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,072)
4072

>  <Formula> (4,072)
C7H11ClN2O2S

>  <MolWeight> (4,072)
222.69244

>  <Item Name> (4,072)
Mafenide hydrochloride

>  <Catalog Number> (4,072)
S3697

>  <Synonyms> (4,072)
4-Aminomethylbenzenesulfonamide hydrochloride

>  <Target> (4,072)
carbonic anhydrase

>  <Form> (4,072)
hydrochloride

>  <URL> (4,072)
http://www.selleckchem.com/products/mafenide-hydrochloride.html

>  <CAS Number> (4,072)
138-37-4

$$$$
S3698 Nortriptyline (hydrochloride).cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.8680    4.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1638    4.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    4.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5262    6.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1538    3.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3826    6.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5817    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    2.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6948    7.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785    6.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5061    4.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2958    7.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0612    6.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2603    4.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8684    5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2557    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4643    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1411    2.0332    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  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 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 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,073)
4073

>  <Formula> (4,073)
C19H22ClN

>  <MolWeight> (4,073)
299.83768

>  <Item Name> (4,073)
Nortriptyline hydrochloride

>  <Catalog Number> (4,073)
S3698

>  <Synonyms> (4,073)
ELF-101 hydrochloride, EN-7048 hydrochloride, Desmethylamitriptyline hydrochloride

>  <Target> (4,073)
Kv channels

>  <Form> (4,073)
hydrochloride

>  <URL> (4,073)
http://www.selleckchem.com/products/nortriptyline-hydrochloride.html

>  <CAS Number> (4,073)
894-71-3

$$$$
S3700 DHBP (dibromide).cdx
csChFnd80/10101813242D

 28 27  0  0  0  0  0  0  0  0999 V2000
   10.9532    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1656    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9532    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656    2.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1656    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3812    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7138    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5606    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3859    4.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5983    2.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5606    0.7746    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.6049    4.2005    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2746    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8183    4.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0308    4.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4556    4.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0929    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1790    2.3289    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   15.8561    2.5476    0.0000 Br  0  5  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  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 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
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,074)
4074

>  <Formula> (4,074)
C24H38Br2N2

>  <MolWeight> (4,074)
514.37992

>  <Item Name> (4,074)
DHBP dibromide

>  <Catalog Number> (4,074)
S3700

>  <Synonyms> (4,074)
1,1'-diheptyl-4,4'-bipyridinium dibromide

>  <Target> (4,074)
Others

>  <Form> (4,074)
dibromide

>  <URL> (4,074)
http://www.selleckchem.com/products/dhbp-dibromide.html

>  <CAS Number> (4,074)
6159-05-3

$$$$
S3701 Benactyzine hydrochloride.cdx
csChFnd80/10101813242D

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6286    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666    4.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2768    4.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4903    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022    4.9001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9149    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9148    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1272    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5163    1.5549    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    0.0000    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
  1  4  1  0  0  0  0
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  2 15  2  0  0  0  0
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 24  3  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,075)
4075

>  <Formula> (4,075)
C20H26ClNO3

>  <MolWeight> (4,075)
363.87834

>  <Item Name> (4,075)
Benactyzine hydrochloride

>  <Catalog Number> (4,075)
S3701

>  <Synonyms> (4,075)
N/A

>  <Target> (4,075)
AChR

>  <Form> (4,075)
hydrochloride

>  <URL> (4,075)
http://www.selleckchem.com/products/benactyzine-hydrochloride.html

>  <CAS Number> (4,075)
57-37-4

$$$$
S3687 Urea.cdx
csChFnd80/10101813242D

  4  3  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 N   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 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
M  END
>  <Mol_ID> (4,076)
4076

>  <Formula> (4,076)
CH4N2O

>  <MolWeight> (4,076)
60.05526

>  <Item Name> (4,076)
Urea

>  <Catalog Number> (4,076)
S3687

>  <Synonyms> (4,076)
Carbamide, Carbonyldiamide, Ureophil

>  <Target> (4,076)
Others

>  <Form> (4,076)
free base

>  <URL> (4,076)
http://www.selleckchem.com/products/urea.html

>  <CAS Number> (4,076)
57-13-6

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/10101813242D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    3.5111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,077)
4077

>  <Formula> (4,077)
C4H7NO2

>  <MolWeight> (4,077)
101.10388

>  <Item Name> (4,077)
2,3-Butanedione-2-monoxime

>  <Catalog Number> (4,077)
S3699

>  <Synonyms> (4,077)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (4,077)
skeletal muscle myosin-II

>  <Form> (4,077)
free base

>  <URL> (4,077)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

>  <CAS Number> (4,077)
57-71-6

$$$$
S3634 6-Hydroxyflavone.cdx
csChFnd80/10101813242D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.6263    2.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    4.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,078)
4078

>  <Formula> (4,078)
C15H10O3

>  <MolWeight> (4,078)
238.2381

>  <Item Name> (4,078)
6-Hydroxyflavone (6-HF)

>  <Catalog Number> (4,078)
S3634

>  <Synonyms> (4,078)
N/A

>  <Target> (4,078)
GABAA receptors

>  <Form> (4,078)
free base

>  <URL> (4,078)
http://www.selleckchem.com/products/6-hydroxyflavone-6-hf.html

>  <CAS Number> (4,078)
6665-83-4

$$$$
S3616 Asiaticoside.cdx
csChFnd80/10101813242D

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 16  9  1  1  0  0  0
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M  END
>  <Mol_ID> (4,079)
4079

>  <Formula> (4,079)
C48H78O19

>  <MolWeight> (4,079)
959.12152

>  <Item Name> (4,079)
Asiaticoside

>  <Catalog Number> (4,079)
S3616

>  <Synonyms> (4,079)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (4,079)
Others

>  <Form> (4,079)
free base

>  <URL> (4,079)
http://www.selleckchem.com/products/asiaticoside.html

>  <CAS Number> (4,079)
16830-15-2

$$$$
S3617 (20S)-Protopanaxatriol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,080)
4080

>  <Formula> (4,080)
C30H52O4

>  <MolWeight> (4,080)
476.73148

>  <Item Name> (4,080)
(20S)-Protopanaxatriol

>  <Catalog Number> (4,080)
S3617

>  <Synonyms> (4,080)
g-PPT, 20(S)-APPT

>  <Target> (4,080)
GR,ER

>  <Form> (4,080)
free base

>  <URL> (4,080)
http://www.selleckchem.com/products/20s-protopanaxatriol.html

>  <CAS Number> (4,080)
34080-08-5

$$$$
S3632 Trichloroisocyanuric acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,081)
4081

>  <Formula> (4,081)
C3Cl3N3O3

>  <MolWeight> (4,081)
232.4094

>  <Item Name> (4,081)
Trichloroisocyanuric acid

>  <Catalog Number> (4,081)
S3632

>  <Synonyms> (4,081)
N/A

>  <Target> (4,081)
Others

>  <Form> (4,081)
free base

>  <URL> (4,081)
http://www.selleckchem.com/products/trichloroisocyanuric-acid.html

>  <CAS Number> (4,081)
87-90-1

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,082)
4082

>  <Formula> (4,082)
C5H12N2S2

>  <MolWeight> (4,082)
164.29218

>  <Item Name> (4,082)
Pyrrolidinedithiocarbamate ammonium

>  <Catalog Number> (4,082)
S3633

>  <Synonyms> (4,082)
APDC, PDTC

>  <Target> (4,082)
NF-¦ÊB

>  <Form> (4,082)
ammonium salt

>  <URL> (4,082)
http://www.selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

>  <CAS Number> (4,082)
5108-96-3

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,083)
4083

>  <Formula> (4,083)
C42H68N2O16

>  <MolWeight> (4,083)
856.99312

>  <Item Name> (4,083)
Diammonium Glycyrrhizinate

>  <Catalog Number> (4,083)
S3622

>  <Synonyms> (4,083)
N/A

>  <Target> (4,083)
Others

>  <Form> (4,083)
ammonium salt 

>  <URL> (4,083)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

>  <CAS Number> (4,083)
79165-06-3

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,084)
4084

>  <Formula> (4,084)
C37H40N2O6

>  <MolWeight> (4,084)
608.7233

>  <Item Name> (4,084)
(+)-Fangchinoline

>  <Catalog Number> (4,084)
S3611

>  <Synonyms> (4,084)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (4,084)
Others

>  <Form> (4,084)
free base

>  <URL> (4,084)
http://www.selleckchem.com/products/s-s-fangchinoline.html

>  <CAS Number> (4,084)
436-77-1

$$$$
S3613 Scoparone.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,085)
4085

>  <Formula> (4,085)
C11H10O4

>  <MolWeight> (4,085)
206.1947

>  <Item Name> (4,085)
Scoparone

>  <Catalog Number> (4,085)
S3613

>  <Synonyms> (4,085)
6,7-dimethoxycoumarin, Aesculetin dimethyl ether, 6,7-Dimethylesculetin, Escoparone

>  <Target> (4,085)
Others

>  <Form> (4,085)
free base

>  <URL> (4,085)
http://www.selleckchem.com/products/scoparone.html

>  <CAS Number> (4,085)
120-08-1

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7509    2.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    3.5533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5841    3.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0184    2.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8868    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    6.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705    5.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    4.6475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4441    4.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1553    6.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682    6.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    6.0001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682    8.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3505    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    7.3991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    3.4351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
  9 13  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  5 14  2  0  0  0  0
  8 15  2  0  0  0  0
 12 16  2  0  0  0  0
  4 17  2  0  0  0  0
 13 18  1  6  0  0  0
  9 19  1  6  0  0  0
M  END
>  <Mol_ID> (4,086)
4086

>  <Formula> (4,086)
C15H18O2

>  <MolWeight> (4,086)
230.30222

>  <Item Name> (4,086)
Dehydrocostus Lactone

>  <Catalog Number> (4,086)
S3615

>  <Synonyms> (4,086)
N/A

>  <Target> (4,086)
 IKK¦Â

>  <Form> (4,086)
free base

>  <URL> (4,086)
http://www.selleckchem.com/products/dehydrocostus-lactone.html

>  <CAS Number> (4,086)
477-43-0

$$$$
S3629 Syringic acid.cdx
csChFnd80/10101813242D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8440    2.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476    3.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565    1.4085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288    2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2698    2.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356    3.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    1.4194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    5.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567    6.2980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    6.2998    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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,087)
4087

>  <Formula> (4,087)
C9H10O5

>  <MolWeight> (4,087)
198.1727

>  <Item Name> (4,087)
Syringic acid

>  <Catalog Number> (4,087)
S3629

>  <Synonyms> (4,087)
3,5-dimethyl ether Gallic Acid, 3,5-dimethoxy-4-hydroxy Benzoic Acid, NSC 2129, SYRA

>  <Target> (4,087)
Others

>  <Form> (4,087)
free base

>  <URL> (4,087)
http://www.selleckchem.com/products/syringic-acid.html

>  <CAS Number> (4,087)
530-57-4

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6085    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093    4.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0326    4.2046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    6.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    4.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    0.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,088)
4088

>  <Formula> (4,088)
C9H10O4

>  <MolWeight> (4,088)
182.1733

>  <Item Name> (4,088)
Methyl Vanillate

>  <Catalog Number> (4,088)
S3630

>  <Synonyms> (4,088)
N/A

>  <Target> (4,088)
Wnt/¦Â-Catenin

>  <Form> (4,088)
free base

>  <URL> (4,088)
http://www.selleckchem.com/products/methyl-vanillate.html

>  <CAS Number> (4,088)
3943-74-6

$$$$
S3610 Cordycepin.cdx
csChFnd80/10101813242D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.8869    5.3861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    5.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4576    4.0535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0612    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    7.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4293    5.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1289    3.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832    2.9247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8813    7.6513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4267    7.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6450    5.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1289    2.2177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4631    1.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6832    2.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6360    7.2231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4267    9.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1498    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
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,089)
4089

>  <Formula> (4,089)
C10H13N5O3

>  <MolWeight> (4,089)
251.24192

>  <Item Name> (4,089)
Cordycepin

>  <Catalog Number> (4,089)
S3610

>  <Synonyms> (4,089)
N/A

>  <Target> (4,089)
Others

>  <Form> (4,089)
free base

>  <URL> (4,089)
http://www.selleckchem.com/products/cordycepin.html

>  <CAS Number> (4,089)
73-03-0

$$$$
S3621 Pazufloxacin (mesylate).cdx
csChFnd80/10101813242D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8378    2.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493    3.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0364    4.8392    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8312    5.5201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6186    4.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    3.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    5.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1928    4.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090    3.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    2.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3742    6.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689    7.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8279    6.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689    9.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2599    9.7102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6779    9.7102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1652    7.5651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    5.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6883    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    1.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0829    1.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9773    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226    1.0873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3883    2.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3883    3.8263    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9874    3.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7891    3.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3883    5.2271    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  2  0  0  0  0
  9 10  1  0  0  0  0
  6 10  2  0  0  0  0
  5  7  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  4 13  1  0  0  0  0
  7 11  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 12 14  1  0  0  0  0
 11 17  2  0  0  0  0
  3 18  1  1  0  0  0
  9 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 10 20  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,090)
4090

>  <Formula> (4,090)
C17H19FN2O7S

>  <MolWeight> (4,090)
414.4053632

>  <Item Name> (4,090)
Pazufloxacin mesylate

>  <Catalog Number> (4,090)
S3621

>  <Synonyms> (4,090)
T-3762, Pazucross

>  <Target> (4,090)
Antifection

>  <Form> (4,090)
methanesulfonate

>  <URL> (4,090)
http://www.selleckchem.com/products/pazufloxacin-mesylate.html

>  <CAS Number> (4,090)
163680-77-1

$$$$
S3624 Quinolinic acid.cdx
csChFnd80/10101813242D

 12 12  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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   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
    4.8497    2.1000    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  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
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,091)
4091

>  <Formula> (4,091)
C7H5NO4

>  <MolWeight> (4,091)
167.1189

>  <Item Name> (4,091)
Quinolinic acid

>  <Catalog Number> (4,091)
S3624

>  <Synonyms> (4,091)
pyridine-2,3-dicarboxylic acid, QUIN

>  <Target> (4,091)
NMDAR

>  <Form> (4,091)
free base

>  <URL> (4,091)
http://www.selleckchem.com/products/quinolinic-acid.html

>  <CAS Number> (4,091)
89-00-9

$$$$
S3625 Tyramine.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6425    2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    0.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    2.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    2.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373    0.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0760    2.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2928    2.7937    0.0000 N   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  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
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,092)
4092

>  <Formula> (4,092)
C8H11NO

>  <MolWeight> (4,092)
137.17904

>  <Item Name> (4,092)
Tyramine

>  <Catalog Number> (4,092)
S3625

>  <Synonyms> (4,092)
4-hydroxyphenethylamine, para-tyramine, mydrial, uteramin

>  <Target> (4,092)
Others

>  <Form> (4,092)
free base

>  <URL> (4,092)
http://www.selleckchem.com/products/tyramine.html

>  <CAS Number> (4,092)
51-67-2

$$$$
S3626 Sesamol.cdx
csChFnd80/10101813242D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6251    0.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535    0.2497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9693    2.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7843    1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8126    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
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,093)
4093

>  <Formula> (4,093)
C7H6O3

>  <MolWeight> (4,093)
138.12074

>  <Item Name> (4,093)
Sesamol

>  <Catalog Number> (4,093)
S3626

>  <Synonyms> (4,093)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (4,093)
Others

>  <Form> (4,093)
free base

>  <URL> (4,093)
http://www.selleckchem.com/products/sesamol.html

>  <CAS Number> (4,093)
533-31-3

$$$$
S3627 Tryptamine.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    5.9680    5.5188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5444    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    3.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7534    2.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5839    1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7686    0.2845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2266    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095    0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1081    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  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
  4 12  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,094)
4094

>  <Formula> (4,094)
C10H12N2

>  <MolWeight> (4,094)
160.21568

>  <Item Name> (4,094)
Tryptamine

>  <Catalog Number> (4,094)
S3627

>  <Synonyms> (4,094)
N/A

>  <Target> (4,094)
5-HT receptor

>  <Form> (4,094)
free base

>  <URL> (4,094)
http://www.selleckchem.com/products/tryptamine.html

>  <CAS Number> (4,094)
61-54-1

$$$$
S3684 Methacholine chloride.cdx
csChFnd80/10101813242D

 12 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3725    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    3.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    3.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    1.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8978    0.0000    0.0000 Cl  0  5  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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,095)
4095

>  <Formula> (4,095)
C8H18ClNO2

>  <MolWeight> (4,095)
195.68702

>  <Item Name> (4,095)
Methacholine chloride

>  <Catalog Number> (4,095)
S3684

>  <Synonyms> (4,095)
Mecholyl chloride, Acetyl-¦Â-methylcholine chloride

>  <Target> (4,095)
muscarinic receptor

>  <Form> (4,095)
chloride

>  <URL> (4,095)
http://www.selleckchem.com/products/methacholine-chloride.html

>  <CAS Number> (4,095)
62-51-1

$$$$
S3702 Dihydrothymine.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2234    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    2.1061    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4111    0.0184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427    2.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0102    2.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6198    0.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    2.0945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    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  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
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,096)
4096

>  <Formula> (4,096)
C5H8N2O2

>  <MolWeight> (4,096)
128.12922

>  <Item Name> (4,096)
Dihydrothymine

>  <Catalog Number> (4,096)
S3702

>  <Synonyms> (4,096)
N/A

>  <Target> (4,096)
Others

>  <Form> (4,096)
free base

>  <URL> (4,096)
http://www.selleckchem.com/products/dihydrothymine.html

>  <CAS Number> (4,096)
696-04-8

$$$$
S3704 4-Methylbenzylidene camphor.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.6720    5.2097    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3105    7.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8662    4.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2713    5.9096    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2747    8.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991    7.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3413    4.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848    2.9752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5440    5.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7413    4.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4415    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8274    3.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7462    2.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5275    2.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4454    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8300    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2749    3.8672    0.0000 C   0  0  0  0  0  0  0  0  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  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (4,097)
4097

>  <Formula> (4,097)
C18H22O

>  <MolWeight> (4,097)
254.36668

>  <Item Name> (4,097)
4-Methylbenzylidene camphor

>  <Catalog Number> (4,097)
S3704

>  <Synonyms> (4,097)
Enzacamene, 4-MBC

>  <Target> (4,097)
Others

>  <Form> (4,097)
free base

>  <URL> (4,097)
http://www.selleckchem.com/products/4-methylbenzylidene-camphor.html

>  <CAS Number> (4,097)
36861-47-9

$$$$
S3732 Avibactam sodium.cdx
csChFnd80/10101813242D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.6123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    3.3123    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6374    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2120    5.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    1.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4044    2.5401    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    3.5301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3944    1.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3944    3.5301    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9612    3.5679    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.5498    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  7  6  1  0  0  0  0
  6  8  2  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 10  1  0  0  0  0
  3 18  1  1  0  0  0
  2 19  1  0  0  0  0
 19  3  1  0  0  0  0
M  END
>  <Mol_ID> (4,098)
4098

>  <Formula> (4,098)
C7H10N3NaO6S

>  <MolWeight> (4,098)
287.22557

>  <Item Name> (4,098)
Avibactam sodium

>  <Catalog Number> (4,098)
S3732

>  <Synonyms> (4,098)
AVE-1330A, NXL104

>  <Target> (4,098)
 ¦Â-lactamase

>  <Form> (4,098)
sodium salt

>  <URL> (4,098)
http://www.selleckchem.com/products/avibactam-sodium.html

>  <CAS Number> (4,098)
1192491-61-4

$$$$
S3645 Kitasamycin.cdx
csChFnd80/10101813242D

 55 57  0  0  0  0  0  0  0  0999 V2000
    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  1  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    2.1000    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
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0180    6.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 O   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
   14.5492    6.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    9.9220    9.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9019    9.3900    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
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  7  9  1  0  0  0  0
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  6 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 23 24  2  0  0  0  0
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 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
 37 43  1  0  0  0  0
 38 44  1  0  0  0  0
 44 45  1  0  0  0  0
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 45 47  2  0  0  0  0
 46 48  1  0  0  0  0
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  9 51  1  6  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END
>  <Mol_ID> (4,099)
4099

>  <Formula> (4,099)
C40H67NO14

>  <MolWeight> (4,099)
785.95828

>  <Item Name> (4,099)
Kitasamycin

>  <Catalog Number> (4,099)
S3645

>  <Synonyms> (4,099)
leucomycin

>  <Target> (4,099)
Antifection

>  <Form> (4,099)
free base

>  <URL> (4,099)
http://www.selleckchem.com/products/kitasamycin.html

>  <CAS Number> (4,099)
1392-21-8

$$$$
S3646 Thimerosal.cdx
csChFnd80/10101813242D

 14 13  0  0  0  0  0  0  0  0999 V2000
    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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  5  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0752    2.1502    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  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
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,100)
4100

>  <Formula> (4,100)
C9H9HgNaO2S

>  <MolWeight> (4,100)
404.81133

>  <Item Name> (4,100)
Thimerosal

>  <Catalog Number> (4,100)
S3646

>  <Synonyms> (4,100)
Thiomersalate, Mercurothiolate

>  <Target> (4,100)
Antifection

>  <Form> (4,100)
sodium salt

>  <URL> (4,100)
http://www.selleckchem.com/products/thimerosal.html

>  <CAS Number> (4,100)
54-64-8

$$$$
S3675 Umbelliferone.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.6420    2.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420    0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    2.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8470    2.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    2.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0689    2.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0689    0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    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  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  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,101)
4101

>  <Formula> (4,101)
C9H6O3

>  <MolWeight> (4,101)
162.14214

>  <Item Name> (4,101)
Umbelliferone

>  <Catalog Number> (4,101)
S3675

>  <Synonyms> (4,101)
7-hydroxycoumarin, hydrangine, skimmetine, beta-umbelliferone

>  <Target> (4,101)
Others

>  <Form> (4,101)
free base

>  <URL> (4,101)
http://www.selleckchem.com/products/umbelliferone.html

>  <CAS Number> (4,101)
93-35-6

$$$$
S3676 Carbendazim.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4531    0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    2.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7960    0.3077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2532    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532    2.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2092    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5972    1.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0381    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9970    1.4785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6817    2.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0799    2.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9643    3.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7634    3.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,102)
4102

>  <Formula> (4,102)
C9H9N3O2

>  <MolWeight> (4,102)
191.18666

>  <Item Name> (4,102)
Carbendazim

>  <Catalog Number> (4,102)
S3676

>  <Synonyms> (4,102)
Mercarzole, Carbendazole

>  <Target> (4,102)
Others

>  <Form> (4,102)
free base

>  <URL> (4,102)
http://www.selleckchem.com/products/carbendazim.html

>  <CAS Number> (4,102)
10605-21-7

$$$$
S3677 Cinnamic acid.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4223    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0588    2.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029    0.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2709    2.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0588    4.1964    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
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,103)
4103

>  <Formula> (4,103)
C9H8O2

>  <MolWeight> (4,103)
148.15862

>  <Item Name> (4,103)
Cinnamic acid

>  <Catalog Number> (4,103)
S3677

>  <Synonyms> (4,103)
trans-Cinnamic acid, Phenylacrylic acid, Cinnamylic acid, 3-Phenylacrylic acid|(E)-Cinnamic acid

>  <Target> (4,103)
Others

>  <Form> (4,103)
free base

>  <URL> (4,103)
http://www.selleckchem.com/products/cinnamic-acid.html

>  <CAS Number> (4,103)
140-10-3

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    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 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
    3.6373    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
    4.8497    3.5000    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
    0.0000    3.5000    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 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
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  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
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  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,104)
4104

>  <Formula> (4,104)
C11H8O3

>  <MolWeight> (4,104)
188.17942

>  <Item Name> (4,104)
2-Methoxy-1,4-naphthoquinone

>  <Catalog Number> (4,104)
S3661

>  <Synonyms> (4,104)
N/A

>  <Target> (4,104)
PKC

>  <Form> (4,104)
free base

>  <URL> (4,104)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

>  <CAS Number> (4,104)
2348-82-5

$$$$
S3652 3-Nitropropionic acid.cdx
csChFnd80/10101813242D

  8  7  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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   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    1.4000    0.0000 N   0  3  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  5  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,105)
4105

>  <Formula> (4,105)
C3H5NO4

>  <MolWeight> (4,105)
119.0761

>  <Item Name> (4,105)
3-Nitropropionic acid

>  <Catalog Number> (4,105)
S3652

>  <Synonyms> (4,105)
¦Â-Nitropropionic Acid, 3-NP

>  <Target> (4,105)
mitochondrial respiratory Complex II succin

>  <Form> (4,105)
free base

>  <URL> (4,105)
http://www.selleckchem.com/products/3-nitropropionic-acid.html

>  <CAS Number> (4,105)
504-88-1

$$$$
S3668 Thymopentin.cdx
csChFnd80/10101813242D

 48 48  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  2  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
    1.2124    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
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  2  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
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M  END
>  <Mol_ID> (4,106)
4106

>  <Formula> (4,106)
C30H49N9O9

>  <MolWeight> (4,106)
679.76496

>  <Item Name> (4,106)
Thymopentin

>  <Catalog Number> (4,106)
S3668

>  <Synonyms> (4,106)
TP5

>  <Target> (4,106)
Immunology & Inflammation related

>  <Form> (4,106)
free base

>  <URL> (4,106)
http://www.selleckchem.com/products/thymopentin.html

>  <CAS Number> (4,106)
69558-55-0

$$$$
S3670 Cefsulodin (sodium).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,107)
4107

>  <Formula> (4,107)
C22H19N4NaO8S2

>  <MolWeight> (4,107)
554.52803

>  <Item Name> (4,107)
Cefsulodin sodium

>  <Catalog Number> (4,107)
S3670

>  <Synonyms> (4,107)
Sulcephalosporin

>  <Target> (4,107)
mPTPB

>  <Form> (4,107)
sodium salt

>  <URL> (4,107)
http://www.selleckchem.com/products/cefsulodin-sodium.html

>  <CAS Number> (4,107)
52152-93-9

$$$$
S3672 Cefonicid (sodium).cdx
csChFnd80/10101813242D

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   10.0022    5.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2195    4.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0054    2.2529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,108)
4108

>  <Formula> (4,108)
C18H16N6Na2O8S3

>  <MolWeight> (4,108)
586.52958

>  <Item Name> (4,108)
Cefonicid sodium

>  <Catalog Number> (4,108)
S3672

>  <Synonyms> (4,108)
Cefonicid sodium

>  <Target> (4,108)
Antifection

>  <Form> (4,108)
disodium salt

>  <URL> (4,108)
http://www.selleckchem.com/products/cefonicid-sodium.html

>  <CAS Number> (4,108)
61270-78-8

$$$$
S3674 Levamlodipine.cdx
csChFnd80/10101813242D

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   10.8594    0.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6108    2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6233    0.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6071    7.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8341    2.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
  5  1  2  0  0  0  0
  7  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  2  0  0  0  0
  8  2  1  0  0  0  0
  3  9  1  6  0  0  0
 13  4  1  0  0  0  0
  4  6  1  0  0  0  0
  6  5  1  0  0  0  0
 16  5  1  0  0  0  0
 12  7  2  0  0  0  0
 14  7  1  0  0  0  0
 11  8  2  0  0  0  0
 15  8  1  0  0  0  0
 10  9  1  0  0  0  0
 19  9  2  0  0  0  0
 17 10  1  0  0  0  0
 21 10  2  0  0  0  0
 20 13  1  0  0  0  0
 25 14  1  0  0  0  0
 23 15  1  0  0  0  0
 18 22  1  0  0  0  0
 26 19  1  0  0  0  0
 24 20  1  0  0  0  0
 28 21  1  0  0  0  0
 22 24  1  0  0  0  0
 27 23  1  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,109)
4109

>  <Formula> (4,109)
C20H25ClN2O5

>  <MolWeight> (4,109)
408.8759

>  <Item Name> (4,109)
Levamlodipine

>  <Catalog Number> (4,109)
S3674

>  <Synonyms> (4,109)
S-amlodipine

>  <Target> (4,109)
calcium channel

>  <Form> (4,109)
free base

>  <URL> (4,109)
http://www.selleckchem.com/products/levamlodipine.html

>  <CAS Number> (4,109)
103129-82-4

$$$$
S3665 Trolox.cdx
csChFnd80/10101813242D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6386    3.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2046    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
    4.8550    1.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    3.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0662    2.1069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2164    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4328    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5475    0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3464    1.2819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9208    3.6691    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
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,110)
4110

>  <Formula> (4,110)
C14H18O4

>  <MolWeight> (4,110)
250.29032

>  <Item Name> (4,110)
Trolox

>  <Catalog Number> (4,110)
S3665

>  <Synonyms> (4,110)
N/A

>  <Target> (4,110)
Vitamin

>  <Form> (4,110)
free base

>  <URL> (4,110)
http://www.selleckchem.com/products/trolox.html

>  <CAS Number> (4,110)
53188-07-1

$$$$
S3120 Doxepin hydrochloride.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3246    5.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663    5.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6834    6.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588    7.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0171    7.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9572    5.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5044    7.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6211    8.6540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2211    8.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2413    5.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5751    5.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8736    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8382    7.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9572    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    3.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5470    1.3959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5470    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3394    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8578    1.5490    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  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
  7 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,111)
4111

>  <Formula> (4,111)
C19H22ClNO

>  <MolWeight> (4,111)
315.83708

>  <Item Name> (4,111)
Doxepin hydrochloride

>  <Catalog Number> (4,111)
S3120

>  <Synonyms> (4,111)
N/A

>  <Target> (4,111)
CYP2D6

>  <Form> (4,111)
hydrochloride

>  <URL> (4,111)
http://www.selleckchem.com/products/doxepin-hydrochloride-sinequan.html

>  <CAS Number> (4,111)
1229-29-4

$$$$
S3660 Uniconazole.cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6377    6.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    7.7003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9349    9.8551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7592    8.5159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    5.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    5.6002    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4939    8.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3348    9.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    4.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8475    1.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8475    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0589    3.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0589    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  4  2  1  0  0  0  0
  7  2  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  8  4  2  0  0  0  0
 10  5  1  0  0  0  0
  9  6  1  0  0  0  0
 11  6  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  1  0  0  0  0
 12 17  2  0  0  0  0
 17 14  1  0  0  0  0
 16 15  2  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,112)
4112

>  <Formula> (4,112)
C15H18ClN3O

>  <MolWeight> (4,112)
291.77592

>  <Item Name> (4,112)
Uniconazole

>  <Catalog Number> (4,112)
S3660

>  <Synonyms> (4,112)
S 3307D, XE 1019D

>  <Target> (4,112)
cytochrome P450 707As

>  <Form> (4,112)
free base

>  <URL> (4,112)
http://www.selleckchem.com/products/uniconazole.html

>  <CAS Number> (4,112)
83657-22-1

$$$$
S3690 Pargyline (hydrochloride).cdx
csChFnd80/10101813242D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4200    3.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    4.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    4.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    3.4777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0071    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1986    1.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    2.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0585    4.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583    1.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2708    0.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    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
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (4,113)
4113

>  <Formula> (4,113)
C11H14ClN

>  <MolWeight> (4,113)
195.68856

>  <Item Name> (4,113)
Pargyline hydrochloride

>  <Catalog Number> (4,113)
S3690

>  <Synonyms> (4,113)
Pargylamine hydrochloride

>  <Target> (4,113)
monoamine oxidase (MAO)-B

>  <Form> (4,113)
hydrochloride 

>  <URL> (4,113)
http://www.selleckchem.com/products/pargyline-hydrochloride.html

>  <CAS Number> (4,113)
306-07-0

$$$$
S3693 2,6-Dihydroxypurine.cdx
csChFnd80/10101813242D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  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
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    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
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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  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
  4  8  2  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
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,114)
4114

>  <Formula> (4,114)
C5H4N4O2

>  <MolWeight> (4,114)
152.11086

>  <Item Name> (4,114)
2,6-Dihydroxypurine

>  <Catalog Number> (4,114)
S3693

>  <Synonyms> (4,114)
xanthine, Isoxanthine

>  <Target> (4,114)
Others

>  <Form> (4,114)
free base

>  <URL> (4,114)
http://www.selleckchem.com/products/2-6-dihydroxypurine.html

>  <CAS Number> (4,114)
69-89-6

$$$$
S3688 2,4-Diamino-6-hydroxypyrimidine.cdx
csChFnd80/10101813242D

  9  9  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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
    3.6373    0.7000    0.0000 C   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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    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
  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,115)
4115

>  <Formula> (4,115)
C4H6N4O

>  <MolWeight> (4,115)
126.11664

>  <Item Name> (4,115)
2,4-Diamino-6-hydroxypyrimidine

>  <Catalog Number> (4,115)
S3688

>  <Synonyms> (4,115)
DAHP

>  <Target> (4,115)
GTP cyclohydrolase I

>  <Form> (4,115)
free base

>  <URL> (4,115)
http://www.selleckchem.com/products/2-4-diamino-6-hydroxypyrimidine.html

>  <CAS Number> (4,115)
56-06-4

$$$$
S3713 Moxidectin.cdx
csChFnd80/10101813242D

 48 52  0  0  0  0  0  0  0  0999 V2000
    8.4539   10.0509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6708    9.1616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4539    8.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (4,116)
4116

>  <Formula> (4,116)
C37H53NO8

>  <MolWeight> (4,116)
639.81862

>  <Item Name> (4,116)
Moxidectin

>  <Catalog Number> (4,116)
S3713

>  <Synonyms> (4,116)
milbemycin B

>  <Target> (4,116)
Antifection

>  <Form> (4,116)
free base

>  <URL> (4,116)
http://www.selleckchem.com/products/moxidectin.html

>  <CAS Number> (4,116)
113507-06-5

$$$$
S3671 Quinestrol.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,117)
4117

>  <Formula> (4,117)
C25H32O2

>  <MolWeight> (4,117)
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>  <Item Name> (4,117)
Quinestrol

>  <Catalog Number> (4,117)
S3671

>  <Synonyms> (4,117)
Ethinylestradiol 3-cyclopentyl ether, EE2CPE, W-3566

>  <Target> (4,117)
Estrogen/progestogen Receptor

>  <Form> (4,117)
free base

>  <URL> (4,117)
http://www.selleckchem.com/products/quinestrol.html

>  <CAS Number> (4,117)
152-43-2

$$$$
Iopromide.cdx
csChFnd80/10101813242D

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4118

>  <Formula> (4,118)
C18H24I3N3O8

>  <MolWeight> (4,118)
791.11187

>  <Item Name> (4,118)
Iopromide

>  <Catalog Number> (4,118)
S3207

>  <Synonyms> (4,118)
N/A

>  <Target> (4,118)
Others

>  <Form> (4,118)
free base

>  <URL> (4,118)
http://www.selleckchem.com/products/iopromide.html

>  <CAS Number> (4,118)
73334-07-3

$$$$
S3726 Selexipag.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,119)
4119

>  <Formula> (4,119)
C26H32N4O4S

>  <MolWeight> (4,119)
496.62168

>  <Item Name> (4,119)
Selexipag

>  <Catalog Number> (4,119)
S3726

>  <Synonyms> (4,119)
NS-304, ACT-293987

>  <Target> (4,119)
prostacyclin IP receptor

>  <Form> (4,119)
free base

>  <URL> (4,119)
http://www.selleckchem.com/products/selexipag.html

>  <CAS Number> (4,119)
475086-01-2

$$$$
S3728 Grazoprevir.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,120)
4120

>  <Formula> (4,120)
C38H50N6O9S

>  <MolWeight> (4,120)
766.9034

>  <Item Name> (4,120)
Grazoprevir

>  <Catalog Number> (4,120)
S3728

>  <Synonyms> (4,120)
MK5172

>  <Target> (4,120)
Hepatitis C Virus NS3/4A Protease

>  <Form> (4,120)
free base

>  <URL> (4,120)
http://www.selleckchem.com/products/grazoprevir.html

>  <CAS Number> (4,120)
1350514-68-9

$$$$
S3725 ELR-510444.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,121)
4121

>  <Formula> (4,121)
C19H16N2O2S2

>  <MolWeight> (4,121)
368.47254

>  <Item Name> (4,121)
ELR-510444

>  <Catalog Number> (4,121)
S3725

>  <Synonyms> (4,121)
N/A

>  <Target> (4,121)
microtubule

>  <Form> (4,121)
free base

>  <URL> (4,121)
http://www.selleckchem.com/products/elr-510444.html

>  <CAS Number> (4,121)
1233948-35-0

$$$$
S3731 Tipiracil hydrochloride.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,122)
4122

>  <Formula> (4,122)
C9H12Cl2N4O2

>  <MolWeight> (4,122)
279.12318

>  <Item Name> (4,122)
Tipiracil hydrochloride

>  <Catalog Number> (4,122)
S3731

>  <Synonyms> (4,122)
MA-1 hydrochloride

>  <Target> (4,122)
thymidine phosphorylase

>  <Form> (4,122)
hydrochloride

>  <URL> (4,122)
http://www.selleckchem.com/products/tipiracil-hydrochloride.html

>  <CAS Number> (4,122)
183204-72-0

$$$$
S3635 Medroxyprogesterone.cdx
csChFnd80/10101813242D

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  3 25  1  6  0  0  0
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M  END
>  <Mol_ID> (4,123)
4123

>  <Formula> (4,123)
C22H32O3

>  <MolWeight> (4,123)
344.48768

>  <Item Name> (4,123)
Medroxyprogesterone

>  <Catalog Number> (4,123)
S3635

>  <Synonyms> (4,123)
MP

>  <Target> (4,123)
progesterone receptor

>  <Form> (4,123)
free base

>  <URL> (4,123)
http://www.selleckchem.com/products/medroxyprogesterone.html

>  <CAS Number> (4,123)
520-85-4

$$$$
S3636 Cefadroxil (hydrate).cdx
csChFnd80/10101813242D

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    9.7837    4.1728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0432    2.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,124)
4124

>  <Formula> (4,124)
C16H19N3O6S

>  <MolWeight> (4,124)
381.40356

>  <Item Name> (4,124)
Cefadroxil hydrate

>  <Catalog Number> (4,124)
S3636

>  <Synonyms> (4,124)
N/A

>  <Target> (4,124)
Antifection

>  <Form> (4,124)
hydrate

>  <URL> (4,124)
http://www.selleckchem.com/products/cefadroxil-hydrate.html

>  <CAS Number> (4,124)
66592-87-8

$$$$
S3637 Cefpirome (sulfate).cdx
csChFnd80/10101813242D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,125)
4125

>  <Formula> (4,125)
C22H24N6O9S3

>  <MolWeight> (4,125)
612.65576

>  <Item Name> (4,125)
Cefpirome sulfate

>  <Catalog Number> (4,125)
S3637

>  <Synonyms> (4,125)
N/A

>  <Target> (4,125)
Antifection

>  <Form> (4,125)
sulfate

>  <URL> (4,125)
http://www.selleckchem.com/products/cefpirome-sulfate.html

>  <CAS Number> (4,125)
98753-19-6

$$$$
S3638 Cefamandole (nafate).cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,126)
4126

>  <Formula> (4,126)
C19H17N6NaO6S2

>  <MolWeight> (4,126)
512.49465

>  <Catalog Number> (4,126)
S3638

>  <Synonyms> (4,126)
N/A

>  <Target> (4,126)
penicillin-binding proteins

>  <Form> (4,126)
sodium salt

>  <URL> (4,126)
http://www.selleckchem.com/products/cefamandole-nafate.html

>  <CAS Number> (4,126)
42540-40-9

$$$$
S3640 Methoxyphenamine (Hydrochloride).cdx
csChFnd80/10101813242D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,127)
4127

>  <Formula> (4,127)
C11H18ClNO

>  <MolWeight> (4,127)
215.71972

>  <Item Name> (4,127)
Methoxyphenamine Hydrochloride

>  <Catalog Number> (4,127)
S3640

>  <Synonyms> (4,127)
2-methoxy-N-methylamphetamine Hydrochloride, OMMA Hydrochloride

>  <Target> (4,127)
 ¦Â-adrenergic receptor

>  <Form> (4,127)
hydrochloride

>  <URL> (4,127)
http://www.selleckchem.com/products/methoxyphenamine-hydrochloride.html

>  <CAS Number> (4,127)
5588-10-3

$$$$
S3641 Osalmid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,128)
4128

>  <Formula> (4,128)
C13H11NO3

>  <MolWeight> (4,128)
229.23134

>  <Item Name> (4,128)
Osalmid

>  <Catalog Number> (4,128)
S3641

>  <Synonyms> (4,128)
N/A

>  <Target> (4,128)
ribonucleotide reductase

>  <Form> (4,128)
free base

>  <URL> (4,128)
http://www.selleckchem.com/products/osalmid.html

>  <CAS Number> (4,128)
526-18-1

$$$$
S3644 Sulfamonomethoxine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,129)
4129

>  <Formula> (4,129)
C11H12N4O3S

>  <MolWeight> (4,129)
280.30298

>  <Item Name> (4,129)
Sulfamonomethoxine

>  <Catalog Number> (4,129)
S3644

>  <Synonyms> (4,129)
N/A

>  <Target> (4,129)
Antifection

>  <Form> (4,129)
free base

>  <URL> (4,129)
http://www.selleckchem.com/products/sulfamonomethoxine.html

>  <CAS Number> (4,129)
1220-83-3

$$$$
S3648 Amlexanox.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,130)
4130

>  <Formula> (4,130)
C16H14N2O4

>  <MolWeight> (4,130)
298.29336

>  <Item Name> (4,130)
Amlexanox

>  <Catalog Number> (4,130)
S3648

>  <Synonyms> (4,130)
AA-673, CHX-3673

>  <Target> (4,130)
TBK1,IKK-¦Å

>  <Form> (4,130)
free base

>  <URL> (4,130)
http://www.selleckchem.com/products/amlexanox.html

>  <CAS Number> (4,130)
68302-57-8

$$$$
S3651 4-Amino-5-imidazolecarboxamide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,131)
4131

>  <Formula> (4,131)
C4H6N4O

>  <MolWeight> (4,131)
126.11664

>  <Item Name> (4,131)
4-Amino-5-imidazolecarboxamide

>  <Catalog Number> (4,131)
S3651

>  <Synonyms> (4,131)
N/A

>  <Target> (4,131)
Others

>  <Form> (4,131)
free base

>  <URL> (4,131)
http://www.selleckchem.com/products/4-amino-5-imidazolecarboxamide.html

>  <CAS Number> (4,131)
360-97-4

$$$$
S3727 Vilanterol Trifenate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,132)
4132

>  <Formula> (4,132)
C44H49Cl2NO7

>  <MolWeight> (4,132)
774.76836

>  <Item Name> (4,132)
Vilanterol Trifenate

>  <Catalog Number> (4,132)
S3727

>  <Synonyms> (4,132)
GW642444M Trifenate

>  <Target> (4,132)
¦Â2-adrenoceptor

>  <Form> (4,132)
trifenatate

>  <URL> (4,132)
http://www.selleckchem.com/products/vilanterol-trifenate.html

>  <CAS Number> (4,132)
503070-58-4

$$$$
S3655 Cefepime (Dihydrochloride Monohydrate).cdx
csChFnd80/10101813242D

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 27 30  2  0  0  0  0
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M  END
>  <Mol_ID> (4,133)
4133

>  <Formula> (4,133)
C19H28Cl2N6O6S2

>  <MolWeight> (4,133)
571.49822

>  <Item Name> (4,133)
Cefepime Dihydrochloride Monohydrate

>  <Catalog Number> (4,133)
S3655

>  <Synonyms> (4,133)
N/A

>  <Target> (4,133)
Antifection

>  <Form> (4,133)
dihydrochloride hydrate

>  <URL> (4,133)
http://www.selleckchem.com/products/cefepime-dihydrochloride-monohydrate.html

>  <CAS Number> (4,133)
123171-59-5

$$$$
S3656 Piribedil.cdx
csChFnd80/10101813242D

 22 25  0  0  0  0  0  0  0  0999 V2000
   10.9049    4.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2351    2.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0596    3.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2741    4.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,134)
4134

>  <Formula> (4,134)
C16H18N4O2

>  <MolWeight> (4,134)
298.33972

>  <Item Name> (4,134)
Piribedil

>  <Catalog Number> (4,134)
S3656

>  <Synonyms> (4,134)
Trivastal, Trivastan

>  <Target> (4,134)
D3 receptor,adrenoceptor ¦Á2,D2 receptor

>  <Form> (4,134)
free base

>  <URL> (4,134)
http://www.selleckchem.com/products/piribedil.html

>  <CAS Number> (4,134)
3605-01-4

$$$$
S3657 Promestriene.cdx
csChFnd80/10101813242D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2 26  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  4  9  1  0  0  0  0
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M  END
>  <Mol_ID> (4,135)
4135

>  <Formula> (4,135)
C22H32O2

>  <MolWeight> (4,135)
328.48828

>  <Item Name> (4,135)
Promestriene

>  <Catalog Number> (4,135)
S3657

>  <Synonyms> (4,135)
3-propyl ethyl, 17B-methyl estradiol

>  <Target> (4,135)
Estrogen Receptor

>  <Form> (4,135)
free base

>  <URL> (4,135)
http://www.selleckchem.com/products/promestriene.html

>  <CAS Number> (4,135)
39219-28-8

$$$$
S3658 O6-Benzylguanine.cdx
csChFnd80/10101813242D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.6598    2.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6598    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7737    1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,136)
4136

>  <Formula> (4,136)
C12H11N5O

>  <MolWeight> (4,136)
241.24864

>  <Item Name> (4,136)
O6-Benzylguanine

>  <Catalog Number> (4,136)
S3658

>  <Synonyms> (4,136)
O6-BG

>  <Target> (4,136)
O6-alkylguanine DNA alkyltransferase

>  <Form> (4,136)
free base

>  <URL> (4,136)
http://www.selleckchem.com/products/o6-benzylguanine.html

>  <CAS Number> (4,136)
19916-73-5

$$$$
S3659 Fludrocortisone (acetate).cdx
csChFnd80/10101813242D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    7.2273    2.7560    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0315    4.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5877    4.8365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8356    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4439    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2481    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2273    4.1607    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6200    2.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8158    8.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8158   10.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2273    1.3523    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  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 31  1  1  0  0  0
  4 11  1  0  0  0  0
  4 12  1  1  0  0  0
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  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
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  9 17  1  0  0  0  0
  9 32  1  6  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 14 18  1  0  0  0  0
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 16 20  1  1  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 21  1  0  0  0  0
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 19 24  1  6  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (4,137)
4137

>  <Formula> (4,137)
C23H31FO6

>  <MolWeight> (4,137)
422.4870432

>  <Item Name> (4,137)
Fludrocortisone acetate

>  <Catalog Number> (4,137)
S3659

>  <Synonyms> (4,137)
9¦Á-fluorocortisol acetate

>  <Target> (4,137)
others

>  <Form> (4,137)
free base

>  <URL> (4,137)
http://www.selleckchem.com/products/fludrocortisone-acetate.html

>  <CAS Number> (4,137)
514-36-3

$$$$
S3663 Afloqualone.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0865    2.8372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2911    2.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0865    4.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777    2.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2911    0.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998    2.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777    4.9013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3147    4.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    2.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2323    4.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 14  2  0  0  0  0
 11 17  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,138)
4138

>  <Formula> (4,138)
C16H14FN3O

>  <MolWeight> (4,138)
283.3002632

>  <Item Name> (4,138)
Afloqualone

>  <Catalog Number> (4,138)
S3663

>  <Synonyms> (4,138)
HQ-495

>  <Target> (4,138)
GABAA ¦Â receptor

>  <Form> (4,138)
free base

>  <URL> (4,138)
http://www.selleckchem.com/products/afloqualone.html

>  <CAS Number> (4,138)
56287-74-2

$$$$
S3673 Sulfaphenazole.cdx
csChFnd80/10101813242D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.4337    4.1941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2995    5.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4337    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5576    5.0232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9678    4.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7173    6.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6579    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1227    6.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9806    5.5344    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6660    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2323    0.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933    6.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3029    8.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    7.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872    8.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  2  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  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,139)
4139

>  <Formula> (4,139)
C15H14N4O2S

>  <MolWeight> (4,139)
314.36226

>  <Item Name> (4,139)
Sulfaphenazole

>  <Catalog Number> (4,139)
S3673

>  <Synonyms> (4,139)
Depocid, Depotsulfonamide, Plisulfan, Raziosulfa

>  <Target> (4,139)
CYP2C9

>  <Form> (4,139)
free base

>  <URL> (4,139)
http://www.selleckchem.com/products/sulfaphenazole.html

>  <CAS Number> (4,139)
526-08-9

$$$$
S3695 Cystamine dihydrochloride.cdx
csChFnd80/10101813242D

 10  7  0  0  0  0  0  0  0  0999 V2000
    5.3463    0.7971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5159    0.0626    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1177    0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7480    0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846    0.1984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1776    0.6649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.8646    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8646    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,140)
4140

>  <Formula> (4,140)
C4H14Cl2N2S2

>  <MolWeight> (4,140)
225.20336

>  <Item Name> (4,140)
Cystamine dihydrochloride

>  <Catalog Number> (4,140)
S3695

>  <Synonyms> (4,140)
Decarboxycystine dihydrochloride, 2-Aminoethyl disulfide dihydrochloride

>  <Target> (4,140)
Antifection

>  <Form> (4,140)
dihydrochloride

>  <URL> (4,140)
http://www.selleckchem.com/products/cystamine-dihydrochloride.html

>  <CAS Number> (4,140)
56-17-7

$$$$
S3742 Cholic acid.cdx
csChFnd80/10101813242D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6060    3.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4289    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6060    5.3326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0387    6.6640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8498    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0955    7.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4680   10.0932    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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  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
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 23 25  1  0  0  0  0
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 11 26  1  0  0  0  0
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  1 27  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  1  0  0  0
 19 29  2  0  0  0  0
 19 30  1  0  0  0  0
 26 31  1  6  0  0  0
 11 32  1  1  0  0  0
 12 33  1  6  0  0  0
M  END
>  <Mol_ID> (4,141)
4141

>  <Formula> (4,141)
C24H40O5

>  <MolWeight> (4,141)
408.5714

>  <Item Name> (4,141)
Cholic acid

>  <Catalog Number> (4,141)
S3742

>  <Synonyms> (4,141)
N/A

>  <Target> (4,141)
Others

>  <Form> (4,141)
free base

>  <URL> (4,141)
http://www.selleckchem.com/products/cholic-acid.html

>  <CAS Number> (4,141)
81-25-4

$$$$
S3683 Methylmalonate.cdx
csChFnd80/10101813242D

  8  7  0  0  0  0  0  0  0  0999 V2000
    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
    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 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
    3.6373    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
    1.2124    3.5000    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
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  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,142)
4142

>  <Formula> (4,142)
C4H6O4

>  <MolWeight> (4,142)
118.08804

>  <Item Name> (4,142)
Methylmalonate

>  <Catalog Number> (4,142)
S3683

>  <Synonyms> (4,142)
Isosuccinic Acid, NSC 25201, MMA

>  <Target> (4,142)
Others

>  <Form> (4,142)
free base

>  <URL> (4,142)
http://www.selleckchem.com/products/methylmalonate.html

>  <CAS Number> (4,142)
516-05-2

$$$$
S3711 Carbasalate Calcium.cdx
csChFnd80/10101813242D

 31 31  0  0  0  0  0  0  0  0999 V2000
   10.5758    5.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5758    4.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255    6.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8365    6.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8365    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255    3.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    6.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255    8.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0195    5.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0195    4.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255    2.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3960    7.0214    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
   10.5758    1.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    1.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8151    6.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    6.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4178    6.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    8.2561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4178    4.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    6.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    4.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    2.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 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  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (4,143)
4143

>  <Formula> (4,143)
C19H18CaN2O9

>  <MolWeight> (4,143)
458.43222

>  <Item Name> (4,143)
Carbasalate Calcium

>  <Catalog Number> (4,143)
S3711

>  <Synonyms> (4,143)
Iromin, Alcacyl, Omegin, Rheomin, Solupsan

>  <Target> (4,143)
platelet aggregation

>  <Form> (4,143)
calcium salt

>  <URL> (4,143)
http://www.selleckchem.com/products/carbasalate-calcium.html

>  <CAS Number> (4,143)
5749-67-7

$$$$
S3743 Oxiglutatione.cdx
csChFnd80/10101813242D

 40 39  0  0  0  0  0  0  0  0999 V2000
    9.6995    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 S   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
    6.0622    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 N   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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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  2  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    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  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
  2  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  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 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 15 23  2  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 24 30  2  0  0  0  0
  8 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 32 40  2  0  0  0  0
M  END
>  <Mol_ID> (4,144)
4144

>  <Formula> (4,144)
C20H32N6O12S2

>  <MolWeight> (4,144)
612.63108

>  <Item Name> (4,144)
Oxiglutatione

>  <Catalog Number> (4,144)
S3743

>  <Synonyms> (4,144)
Oxidized glutathione, Glutathione disulfide, GSSG, Bi(glutathion-S-yl)

>  <Target> (4,144)
Others

>  <Form> (4,144)
free base

>  <URL> (4,144)
http://www.selleckchem.com/products/oxiglutatione.html

>  <CAS Number> (4,144)
27025-41-8

$$$$
S3653 Spermidine trihydrochloride.cdx
csChFnd80/10101813242D

 13  9  0  0  0  0  0  0  0  0999 V2000
    6.3484    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1360    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5609    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9236    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7111    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9857    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4987    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1982    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.0340    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0340    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.6340    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,145)
4145

>  <Formula> (4,145)
C7H22Cl3N3

>  <MolWeight> (4,145)
254.62868

>  <Item Name> (4,145)
Spermidine trihydrochloride

>  <Catalog Number> (4,145)
S3653

>  <Synonyms> (4,145)
 	4-Azaoctamethylenediamine trihydrochloride

>  <Target> (4,145)
NMDAR,Autophagy

>  <Form> (4,145)
trihydrochloride

>  <URL> (4,145)
http://www.selleckchem.com/products/spermidine-trihydrochloride.html

>  <CAS Number> (4,145)
334-50-9

$$$$
S3705 Chlorobutanol.cdx
csChFnd80/10101813242D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    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
  1  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,146)
4146

>  <Formula> (4,146)
C4H7Cl3O

>  <MolWeight> (4,146)
177.45678

>  <Item Name> (4,146)
Chlorobutanol

>  <Catalog Number> (4,146)
S3705

>  <Synonyms> (4,146)
Chlorbutol, Chloreton, Chloretone, Chlortran|

>  <Target> (4,146)
Antifection

>  <Form> (4,146)
free base

>  <URL> (4,146)
http://www.selleckchem.com/products/chlorobutanol.html

>  <CAS Number> (4,146)
57-15-8

$$$$
S3717 Testosterone Enanthate.cdx
csChFnd80/10101813242D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0530    2.1338    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8289    2.8216    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2684    2.8430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0593    0.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270    2.1173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8160    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2556    4.2429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6006    2.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3413    8.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9890    7.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    8.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3885    5.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0530    3.5338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289    1.4216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2684    1.4429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 14 18  1  1  0  0  0
 14 15  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
  7 29  1  1  0  0  0
  1 30  1  1  0  0  0
  2 31  1  6  0  0  0
  3 32  1  6  0  0  0
M  END
>  <Mol_ID> (4,147)
4147

>  <Formula> (4,147)
C26H40O3

>  <MolWeight> (4,147)
400.594

>  <Item Name> (4,147)
Testosterone Enanthate

>  <Catalog Number> (4,147)
S3717

>  <Synonyms> (4,147)
Testosterone heptanoate, NSC-17591

>  <Target> (4,147)
androgen receptor

>  <Form> (4,147)
free base

>  <URL> (4,147)
http://www.selleckchem.com/products/testosterone-enanthate.html

>  <CAS Number> (4,147)
315-37-7

$$$$
S3714 Lifitegrast.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,148)
4148

>  <Formula> (4,148)
C29H24Cl2N2O7S

>  <MolWeight> (4,148)
615.48106

>  <Item Name> (4,148)
Lifitegrast

>  <Catalog Number> (4,148)
S3714

>  <Synonyms> (4,148)
SAR1118

>  <Target> (4,148)
Integrin

>  <Form> (4,148)
free base

>  <URL> (4,148)
http://www.selleckchem.com/products/lifitegrast.html

>  <CAS Number> (4,148)
1025967-78-5

$$$$
S3718 Leuprolide Acetate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,149)
4149

>  <Formula> (4,149)
C61H88N16O14

>  <MolWeight> (4,149)
1269.45022

>  <Catalog Number> (4,149)
S3718

>  <Synonyms> (4,149)
Leuprorelin Acetate

>  <Target> (4,149)
GnRHR

>  <Form> (4,149)
acetate

>  <URL> (4,149)
http://www.selleckchem.com/products/leuprolide-acetate.html

>  <CAS Number> (4,149)
74381-53-6

$$$$
S3719 Topiroxostat.cdx
csChFnd80/10101813242D

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    6.1727    3.8444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5702    3.7611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7433    1.6521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6617    2.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7388    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4355    0.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2263    1.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3205    2.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6239    2.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8331    0.8733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9799    2.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3242    3.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3068    2.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9349    0.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800    0.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5972    1.4829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    3.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
  1  5  2  0  0  0  0
  6  7  2  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
  3  8  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 18 19  3  0  0  0  0
 12 18  1  0  0  0  0
  5 14  1  0  0  0  0
  5  4  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (4,150)
4150

>  <Formula> (4,150)
C13H8N6

>  <MolWeight> (4,150)
248.24282

>  <Item Name> (4,150)
Topiroxostat

>  <Catalog Number> (4,150)
S3719

>  <Synonyms> (4,150)
N/A

>  <Target> (4,150)
XOR

>  <Form> (4,150)
free base

>  <URL> (4,150)
http://www.selleckchem.com/products/topiroxostat.html

>  <CAS Number> (4,150)
577778-58-6

$$$$
S3720 Elafibranor.cdx
csChFnd80/10101813242D

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    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    1.4000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   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
    6.0622    4.2000    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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2468    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  2  0  0  0  0
 11 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
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 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 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
 23 25  2  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,151)
4151

>  <Formula> (4,151)
C22H24O4S

>  <MolWeight> (4,151)
384.48856

>  <Item Name> (4,151)
Elafibranor

>  <Catalog Number> (4,151)
S3720

>  <Synonyms> (4,151)
GFT505

>  <Target> (4,151)
PPAR¦Á,PPAR¦Ä

>  <Form> (4,151)
free base

>  <URL> (4,151)
http://www.selleckchem.com/products/elafibranor.html

>  <CAS Number> (4,151)
923978-27-2

$$$$
S3722 Isavuconazole.cdx
csChFnd80/10101813242D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.3607    6.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859    4.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6040    3.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9969    3.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717    5.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7536    6.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    4.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6672    6.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0379    6.2478    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9672    5.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1769    4.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3894    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5996    4.8510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9003    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3894    2.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3003    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7003    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4003    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7003    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3003    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4003    4.8497    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8120    5.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2837    8.7904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0713    9.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0309    8.5536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9927    7.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  3  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
  9 11  2  0  0  0  0
 12 13  2  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11  5  1  0  0  0  0
 14 17  1  1  0  0  0
 15 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
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
 22 24  1  0  0  0  0
 19 25  1  0  0  0  0
 15 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 16 30  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 31 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,152)
4152

>  <Formula> (4,152)
C22H17F2N5OS

>  <MolWeight> (4,152)
437.4650864

>  <Item Name> (4,152)
Isavuconazole

>  <Catalog Number> (4,152)
S3722

>  <Synonyms> (4,152)
BAL-4815, RO-0094815

>  <Target> (4,152)
Antifection

>  <Form> (4,152)
free base

>  <URL> (4,152)
http://www.selleckchem.com/products/isavuconazole.html

>  <CAS Number> (4,152)
241479-67-4

$$$$
S3723 Ramosetron  Hydrochloride.cdx
csChFnd80/10101813242D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.7486    2.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0277    3.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230    3.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3024    1.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2402    2.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8973    4.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5301    4.7111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4485    3.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9350    0.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4478    3.0041    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2402    0.9013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6527    2.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4495    4.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8682    3.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8743    4.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2077    4.8281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4273    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
 10  5  1  6  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  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
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,153)
4153

>  <Formula> (4,153)
C17H18ClN3O

>  <MolWeight> (4,153)
315.79732

>  <Item Name> (4,153)
Ramosetron Hydrochloride

>  <Catalog Number> (4,153)
S3723

>  <Synonyms> (4,153)
YM-060

>  <Target> (4,153)
5-HT3 receptor

>  <Form> (4,153)
hydrochloride

>  <URL> (4,153)
http://www.selleckchem.com/products/ramosetron-hydrochloride.html

>  <CAS Number> (4,153)
132907-72-3

$$$$
S3724 Velpatasvir.cdx
csChFnd80/10101813242D

 65 73  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.8239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497   10.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.2239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9106    7.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2017    6.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5331    6.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5735    7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2825    8.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9510    8.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,154)
4154

>  <Formula> (4,154)
C49H54N8O8

>  <MolWeight> (4,154)
883.00186

>  <Item Name> (4,154)
Velpatasvir

>  <Catalog Number> (4,154)
S3724

>  <Synonyms> (4,154)
GS-5816

>  <Target> (4,154)
NS5A

>  <Form> (4,154)
free base

>  <URL> (4,154)
http://www.selleckchem.com/products/velpatasvir.html

>  <CAS Number> (4,154)
1377049-84-7

$$$$
S3735 Umeclidinium bromide.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,155)
4155

>  <Formula> (4,155)
C29H34BrNO2

>  <MolWeight> (4,155)
508.48976

>  <Item Name> (4,155)
Umeclidinium bromide

>  <Catalog Number> (4,155)
S3735

>  <Synonyms> (4,155)
N/A

>  <Target> (4,155)
mAChR

>  <Form> (4,155)
bromide

>  <URL> (4,155)
http://www.selleckchem.com/products/umeclidinium-bromide.html

>  <CAS Number> (4,155)
869113-09-7

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,156)
4156

>  <Formula> (4,156)
C17H17N3Na2O8

>  <MolWeight> (4,156)
437.31172

>  <Item Name> (4,156)
Balsalazide disodium

>  <Catalog Number> (4,156)
S3745

>  <Synonyms> (4,156)
N/A

>  <Target> (4,156)
Immunology & Inflammation related

>  <Form> (4,156)
disodium salt dihydrate

>  <URL> (4,156)
http://www.selleckchem.com/products/balsalazide-disodium.html

>  <CAS Number> (4,156)
150399-21-6

$$$$
S3746 Lumefantrine.cdx
csChFnd80/10101813242D

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  2  5  1  0  0  0  0
 10  3  1  0  0  0  0
  5  4  2  0  0  0  0
 12  4  1  0  0  0  0
  9  5  1  0  0  0  0
  8  6  1  0  0  0  0
  6 11  2  0  0  0  0
 15  7  1  0  0  0  0
 14  8  1  0  0  0  0
 20  8  1  0  0  0  0
 18  9  2  0  0  0  0
 13 10  2  0  0  0  0
 11 13  1  0  0  0  0
 17 12  2  0  0  0  0
 21 13  1  0  0  0  0
 16 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  2  0  0  0  0
 28 16  1  0  0  0  0
 29 16  1  0  0  0  0
 22 17  1  0  0  0  0
 18 17  1  0  0  0  0
 19 27  2  0  0  0  0
 23 19  1  0  0  0  0
 26 19  1  0  0  0  0
 26 24  2  0  0  0  0
 27 25  1  0  0  0  0
 31 28  1  0  0  0  0
 30 29  1  0  0  0  0
 33 30  1  0  0  0  0
 32 31  1  0  0  0  0
 35 32  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
>  <Mol_ID> (4,157)
4157

>  <Formula> (4,157)
C30H32Cl3NO

>  <MolWeight> (4,157)
528.94018

>  <Item Name> (4,157)
Lumefantrine

>  <Catalog Number> (4,157)
S3746

>  <Synonyms> (4,157)
benflumetol

>  <Target> (4,157)
Antifection

>  <Form> (4,157)
free base

>  <URL> (4,157)
http://www.selleckchem.com/products/lumefantrine.html

>  <CAS Number> (4,157)
82186-77-4

$$$$
S3682 Ethyl 3-Aminobenzoate methanesulfonate.cdx
csChFnd80/10101813242D

 17 16  0  0  0  0  0  0  0  0999 V2000
    2.4398    3.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    4.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    4.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8645    3.5101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    5.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0089    3.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770    4.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2894    3.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3468    1.5003    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9468    1.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7468    1.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3537    0.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3399    2.9003    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  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,158)
4158

>  <Formula> (4,158)
C10H15NO5S

>  <MolWeight> (4,158)
261.2948

>  <Item Name> (4,158)
Ethyl 3-Aminobenzoate methanesulfonate

>  <Catalog Number> (4,158)
S3682

>  <Synonyms> (4,158)
Ethyl m-Aminobenzoate, NSC 93790, Tricaine methanesulfonate

>  <Target> (4,158)
voltage-dependent Na+-channels

>  <Form> (4,158)
methanesulfonate

>  <URL> (4,158)
http://www.selleckchem.com/products/ethyl-3-aminobenzoate-methanesulfonate.html

>  <CAS Number> (4,158)
886-86-2

$$$$
S3689 Ethidium bromide.cdx
csChFnd80/10101813242D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  3  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    6.3000    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
    6.0622    6.3000    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    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
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0761    2.8585    0.0000 Br  0  5  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
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  1  0  0  0  0
 13 19  1  0  0  0  0
 14 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,159)
4159

>  <Formula> (4,159)
C21H20BrN3

>  <MolWeight> (4,159)
394.3076

>  <Item Name> (4,159)
Ethidium bromide

>  <Catalog Number> (4,159)
S3689

>  <Synonyms> (4,159)
Homidium bromide, EtBr, EB

>  <Target> (4,159)
Others

>  <Form> (4,159)
bromide

>  <URL> (4,159)
http://www.selleckchem.com/products/ethidium-bromide.html

>  <CAS Number> (4,159)
1239-45-8

$$$$
S3706 Sarpogrelate hydrochloride.cdx
csChFnd80/10101813242D

 32 32  0  0  0  0  0  0  0  0999 V2000
   10.9123    2.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1314    2.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7103    2.8652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1314    4.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3507    2.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5348    2.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1314    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3244    4.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3507    0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2545    2.8652    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.5525    4.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0700    2.1859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2545    4.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7457    4.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5525    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    2.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4475    5.0077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9214    4.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7019    2.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6232    4.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9214    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1230    5.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    2.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3424    4.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757    0.7402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3719    1.4169    0.0000 Cl  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
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
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 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
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 20 25  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (4,160)
4160

>  <Formula> (4,160)
C24H32ClNO6

>  <MolWeight> (4,160)
465.96698

>  <Item Name> (4,160)
Sarpogrelate hydrochloride

>  <Catalog Number> (4,160)
S3706

>  <Synonyms> (4,160)
MCI-9042

>  <Target> (4,160)
5-HT2A, 5-HT2C, 5-HT2B

>  <Form> (4,160)
hydrochloride

>  <URL> (4,160)
http://www.selleckchem.com/products/sarpogrelate-hydrochloride.html

>  <CAS Number> (4,160)
135159-51-2

$$$$
S3707 Ethopabate.cdx
csChFnd80/10101813242D

 17 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    5.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    6.3032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4095    0.0000 O   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
    4.8458    5.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    6.3020    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
    2.4249    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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,161)
4161

>  <Formula> (4,161)
C12H15NO4

>  <MolWeight> (4,161)
237.2518

>  <Item Name> (4,161)
Ethopabate

>  <Catalog Number> (4,161)
S3707

>  <Synonyms> (4,161)
Ethyl pabate

>  <Target> (4,161)
Antifection

>  <Form> (4,161)
free base

>  <URL> (4,161)
http://www.selleckchem.com/products/ethopabate.html

>  <CAS Number> (4,161)
59-06-3

$$$$
S3708 Sulfachloropyridazine.cdx
csChFnd80/10101813242D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.4249    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  2  0  0  0  0
  2  5  1  0  0  0  0
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  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
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 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,162)
4162

>  <Formula> (4,162)
C10H9ClN4O2S

>  <MolWeight> (4,162)
284.72206

>  <Item Name> (4,162)
Sulfachloropyridazine

>  <Catalog Number> (4,162)
S3708

>  <Synonyms> (4,162)
N/A

>  <Target> (4,162)
Antifection

>  <Form> (4,162)
free base

>  <URL> (4,162)
http://www.selleckchem.com/products/sulfachloropyridazine.html

>  <CAS Number> (4,162)
80-32-0

$$$$
S3709 Furagin.cdx
csChFnd80/10101813242D

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4163

>  <Formula> (4,163)
C10H8N4O5

>  <MolWeight> (4,163)
264.19432

>  <Item Name> (4,163)
Furagin

>  <Catalog Number> (4,163)
S3709

>  <Synonyms> (4,163)
NF-416, F-35, Akritoin, Furazidin, Furazidine

>  <Target> (4,163)
Antifection

>  <Form> (4,163)
free base

>  <URL> (4,163)
http://www.selleckchem.com/products/furagin.html

>  <CAS Number> (4,163)
1672-88-4

$$$$
S3716 Flibanserin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,164)
4164

>  <Formula> (4,164)
C20H21F3N4O

>  <MolWeight> (4,164)
390.4021496

>  <Item Name> (4,164)
Flibanserin

>  <Catalog Number> (4,164)
S3716

>  <Synonyms> (4,164)
BIMT-17, BIMT-17-BS

>  <Target> (4,164)
5-HT1A receptor.D4 receptor,5-HT2A receptor

>  <Form> (4,164)
free base

>  <URL> (4,164)
http://www.selleckchem.com/products/flibanserin.html

>  <CAS Number> (4,164)
167933-07-5

$$$$
S3739 Calcipotriene.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,165)
4165

>  <Formula> (4,165)
C27H40O3

>  <MolWeight> (4,165)
412.6047

>  <Item Name> (4,165)
Calcipotriene

>  <Catalog Number> (4,165)
S3739

>  <Synonyms> (4,165)
Calcipotriol

>  <Target> (4,165)
Others

>  <Form> (4,165)
free base

>  <URL> (4,165)
http://www.selleckchem.com/products/calcipotriene.html

>  <CAS Number> (4,165)
112965-21-6

$$$$
S3712 Tulathromycin A.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,166)
4166

>  <Formula> (4,166)
C41H79N3O12

>  <MolWeight> (4,166)
806.07886

>  <Item Name> (4,166)
Tulathromycin A

>  <Catalog Number> (4,166)
S3712

>  <Synonyms> (4,166)
N/A

>  <Target> (4,166)
Antifection

>  <Form> (4,166)
free base

>  <URL> (4,166)
http://www.selleckchem.com/products/tulathromycin-a.html

>  <CAS Number> (4,166)
217500-96-4

$$$$
S3685 4-Biphenylacetic acid.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3001    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0003    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,167)
4167

>  <Formula> (4,167)
C14H12O2

>  <MolWeight> (4,167)
212.24388

>  <Item Name> (4,167)
4-Biphenylacetic acid

>  <Catalog Number> (4,167)
S3685

>  <Synonyms> (4,167)
BPA

>  <Target> (4,167)
Immunology & Inflammation related

>  <Form> (4,167)
free base

>  <URL> (4,167)
http://www.selleckchem.com/products/4-biphenylacetic-acid.html

>  <CAS Number> (4,167)
5728-52-9

$$$$
S3694 Glucosamine (hydrochloride).cdx
csChFnd80/10101813242D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4290    3.5017    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4035    2.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6220    4.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127    1.3999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1910    1.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    3.4870    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7747    2.2587    0.0000 Cl  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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M  END
>  <Mol_ID> (4,168)
4168

>  <Formula> (4,168)
C6H14ClNO5

>  <MolWeight> (4,168)
215.63206

>  <Item Name> (4,168)
Glucosamine hydrochloride

>  <Catalog Number> (4,168)
S3694

>  <Synonyms> (4,168)
2-Amino-2-deoxy-glucose HCl, Chitosamine HCl

>  <Target> (4,168)
Others

>  <Form> (4,168)
hydrochloride

>  <URL> (4,168)
http://www.selleckchem.com/products/glucosamine-hydrochloride.html

>  <CAS Number> (4,168)
66-84-2

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/10101813242D

 39 41  0  0  0  0  0  0  0  0999 V2000
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    5.4139    5.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8465    6.4569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0445    4.8343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5384    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,169)
4169

>  <Formula> (4,169)
C27H45N5O5

>  <MolWeight> (4,169)
519.6767

>  <Item Name> (4,169)
Boceprevir

>  <Catalog Number> (4,169)
S3733

>  <Synonyms> (4,169)
N/A

>  <Target> (4,169)
hepatitis C virus (HCV) protease

>  <Form> (4,169)
free base

>  <URL> (4,169)
http://www.selleckchem.com/products/boceprevir.html

>  <CAS Number> (4,169)
394730-60-0

$$$$
S3679 Flavanone.cdx
csChFnd80/10101813242D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4279    4.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4285    2.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    4.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2148    2.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    4.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0004    2.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0536    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,170)
4170

>  <Formula> (4,170)
C15H12O2

>  <MolWeight> (4,170)
224.25458

>  <Item Name> (4,170)
Flavanone

>  <Catalog Number> (4,170)
S3679

>  <Synonyms> (4,170)
2,3-Dihydroflavone, 4-Flavanone, 2-Phenyl-4-chromanone, 2-Phenylchroman-4-one

>  <Target> (4,170)
Others

>  <Form> (4,170)
free base

>  <URL> (4,170)
http://www.selleckchem.com/products/flavanone.html

>  <CAS Number> (4,170)
487-26-3

$$$$
S3680 NLRP3 Inflammasome Inhibitor I.cdx
csChFnd80/10101813242D

 24 25  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,171)
4171

>  <Formula> (4,171)
C16H17ClN2O4S

>  <MolWeight> (4,171)
368.83518

>  <Item Name> (4,171)
NLRP3 Inflammasome Inhibitor I

>  <Catalog Number> (4,171)
S3680

>  <Synonyms> (4,171)
N/A

>  <Target> (4,171)
NLRP3 inflammasome

>  <Form> (4,171)
free base

>  <URL> (4,171)
http://www.selleckchem.com/products/nlrp3-Inflammasome-inhibitor-i.html

>  <CAS Number> (4,171)
16673-34-0

$$$$
S3750 Sodium benzoate.cdx
csChFnd80/10101813242D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2300    2.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    2.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300    4.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0217    4.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465    4.8855    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9008    4.9819    0.0000 Na  0  3  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  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,172)
4172

>  <Formula> (4,172)
C7H5NaO2

>  <MolWeight> (4,172)
144.10317

>  <Item Name> (4,172)
Sodium benzoate

>  <Catalog Number> (4,172)
S3750

>  <Synonyms> (4,172)
Benzoic acid sodium salt

>  <Target> (4,172)
Antifection

>  <Form> (4,172)
sodium salt

>  <URL> (4,172)
http://www.selleckchem.com/products/sodium-benzoate.html

>  <CAS Number> (4,172)
532-32-1

$$$$
S3628 BHQ.cdx
csChFnd80/10101813242D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    2.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6146    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    1.3843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8238    3.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0362    4.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0445    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2569    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0445    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2569    0.7000    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
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,173)
4173

>  <Formula> (4,173)
C14H22O2

>  <MolWeight> (4,173)
222.32328

>  <Item Name> (4,173)
BHQ

>  <Catalog Number> (4,173)
S3628

>  <Synonyms> (4,173)
2,5-di-t-butyl-1,4-benzohydroquinone

>  <Target> (4,173)
SERCA

>  <Form> (4,173)
free base

>  <URL> (4,173)
http://www.selleckchem.com/products/bhq.html

>  <CAS Number> (4,173)
88-58-4

$$$$
S3730 Metaxalone.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6554    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8679    4.1942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4361    4.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    1.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0807    3.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    3.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    2.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2939    4.1944    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5733    3.6285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4434    5.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5077    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8111    5.8775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9013    4.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,174)
4174

>  <Formula> (4,174)
C12H15NO3

>  <MolWeight> (4,174)
221.2524

>  <Item Name> (4,174)
Metaxalone

>  <Catalog Number> (4,174)
S3730

>  <Synonyms> (4,174)
Skelaxin, Methaxalonum, Zorane

>  <Target> (4,174)
Others

>  <Form> (4,174)
free base

>  <URL> (4,174)
http://www.selleckchem.com/products/metaxalone.html

>  <CAS Number> (4,174)
1665-48-1

$$$$
S3747 Levothyroxine sodium.cdx
csChFnd80/10101813242D

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6552    3.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8689    4.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4652    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0827    3.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393    3.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0827    2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2929    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409    2.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780    0.0253    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1980    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2948    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8703    1.4059    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.5073    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2929    5.6020    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0293    1.4355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5015    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7203    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9384    2.1023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1500    1.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9384    3.5064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3627    2.1029    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5056    2.1006    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  2  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  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 18  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
 20 22  1  6  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,175)
4175

>  <Formula> (4,175)
C15H10I4NNaO4

>  <MolWeight> (4,175)
798.85185

>  <Item Name> (4,175)
Levothyroxine sodium

>  <Catalog Number> (4,175)
S3747

>  <Synonyms> (4,175)
L-T4 sodium, L-Thyroxine sodium, LT4 sodium

>  <Target> (4,175)
Thyroid hormone receptor

>  <Form> (4,175)
sodium salt

>  <URL> (4,175)
http://www.selleckchem.com/products/levothyroxine-sodium.html

>  <CAS Number> (4,175)
55-03-8

$$$$
S3729 Iron sucrose.cdx
csChFnd80/10101813242D

 44 39  0  0  0  0  0  0  0  0999 V2000
   10.7681   12.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9806   11.3178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5557   11.3178    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.7681   13.4178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1930   12.0178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9806    9.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4054   11.3178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1930   13.4178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4054    9.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6179   12.0178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8303   11.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6179   13.4178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0428   12.0178    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.8303    9.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8228    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0352    6.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6103    6.2300    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.8228    8.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2476    6.9300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0352    4.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4601    6.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2476    8.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4601    4.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6725    6.9300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8849    6.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6725    8.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0974    6.9300    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.8849    4.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8724    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0848    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6599    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.8724    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2972    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0848    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5097    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2972    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5097    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7221    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9345    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7221    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1470    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.9345    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   28.7298    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    0.0000   28.7298    0.0000 Fe  0  1  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  6  0  0  0
  5  7  1  0  0  0  0
  5  8  1  1  0  0  0
  7  9  1  1  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
 21 23  1  1  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  1  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  6  0  0  0
 33 35  1  0  0  0  0
 33 36  1  1  0  0  0
 35 37  1  1  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  1  0  0  0
 39 41  1  0  0  0  0
 39 42  2  0  0  0  0
M  END
>  <Mol_ID> (4,176)
4176

>  <Formula> (4,176)
C18H24Fe2O24

>  <MolWeight> (4,176)
736.05876

>  <Item Name> (4,176)
Iron sucrose

>  <Catalog Number> (4,176)
S3729

>  <Synonyms> (4,176)
Iron saccharate, Sucroferric oxyhydroxide

>  <Target> (4,176)
Others

>  <Form> (4,176)
Iron saccharate

>  <URL> (4,176)
http://www.selleckchem.com/products/iron-sucrose.html

>  <CAS Number> (4,176)
8047-67-4

$$$$
Rotenone.cdx
csChFnd80/10101813242D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0496    8.5325    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6830    9.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0762    9.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9232   10.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 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  3  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  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 18  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 26  2  0  0  0  0
 20 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  5 30  1  6  0  0  0
  4 31  1  6  0  0  0
M  END
>  <Mol_ID> (4,177)
4177

>  <Formula> (4,177)
C23H22O6

>  <MolWeight> (4,177)
394.41718

>  <Item Name> (4,177)
Rotenone (Barbasco)

>  <Catalog Number> (4,177)
S2348

>  <Synonyms> (4,177)
Barbasco, Dactinol, Paraderil, Rotenon, Rotocide

>  <Target> (4,177)
Antifection

>  <Form> (4,177)
free base

>  <URL> (4,177)
http://www.selleckchem.com/products/rotenone-barbasco.html

>  <CAS Number> (4,177)
83-79-4

$$$$
S3751 Quinidine sulfate.cdx
csChFnd80/10101813242D

 59 62  0  0  0  0  0  0  0  0999 V2000
   22.8927    4.9788    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.4929    4.9788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3212    4.9788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8927    3.5789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8927    6.3569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4305   15.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0306   15.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4681    2.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7664    2.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4644    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2802    2.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7664    4.2548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9531    2.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2093    0.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0562    2.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9909    4.9618    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5660    4.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9554    0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0288    0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8438    2.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5336    6.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4751    7.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3557    7.1012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7797    8.4799    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.6665    6.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6978    9.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9102   10.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8722    3.8637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1830    8.2307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6243    2.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226    3.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6206    1.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4364    3.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226    4.5465    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1093    2.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3656    0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8271    0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1472    5.2535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7223    5.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1117    1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850    1.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108    6.1878    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.6899    6.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6314    7.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3093    6.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5120    7.3929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9359    8.7715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.8540   10.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  6  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 19  2  0  0  0  0
 16 21  1  0  0  0  0
 16 20  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 32  1  6  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 33  1  6  0  0  0
 28 30  1  6  0  0  0
 30 31  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  2  0  0  0  0
 36 40  1  0  0  0  0
 36 41  1  0  0  0  0
 37 42  2  0  0  0  0
 38 43  1  0  0  0  0
 38 44  1  6  0  0  0
 39 45  1  0  0  0  0
 40 46  2  0  0  0  0
 41 45  2  0  0  0  0
 42 47  1  0  0  0  0
 42 46  1  0  0  0  0
 43 48  1  0  0  0  0
 43 49  1  0  0  0  0
 43 58  1  6  0  0  0
 47 50  1  0  0  0  0
 48 51  1  0  0  0  0
 48 52  1  0  0  0  0
 49 53  1  0  0  0  0
 51 54  1  0  0  0  0
 52 55  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  1  0  0  0  0
 53 59  1  6  0  0  0
 54 56  1  6  0  0  0
 56 57  2  0  0  0  0
M  END
>  <Mol_ID> (4,178)
4178

>  <Formula> (4,178)
C40H54N4O10S

>  <MolWeight> (4,178)
782.94256

>  <Item Name> (4,178)
Quinidine sulfate

>  <Catalog Number> (4,178)
S3751

>  <Synonyms> (4,178)
Chinidin Sodium, Pitayine Sodium, ¦Â-quinine Sodium, (+)-quinidine Sodium

>  <Target> (4,178)
sodium channels

>  <Form> (4,178)
sulfate dihydrate

>  <URL> (4,178)
http://www.selleckchem.com/products/quinidine-sulfate.html

>  <CAS Number> (4,178)
6591-63-5

$$$$
S3664 Flupenthixol dihydrochloride.cdx
csChFnd80/10101813242D

 32 33  0  0  0  0  0  0  0  0999 V2000
    7.6533    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6533    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8658    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0782    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0782    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8658    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4409   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4409    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2285   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2906    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2906    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5031    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5031    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2906    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0782    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8658    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8658    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0782    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2906    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5031    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7155    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9279    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7155    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   26.1463    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
  1  6  1  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 19 20  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  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 13 26  1  0  0  0  0
 16 27  1  0  0  0  0
 12 13  2  0  0  0  0
  4 10  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (4,179)
4179

>  <Formula> (4,179)
C23H27Cl2F3N2OS

>  <MolWeight> (4,179)
507.4394896

>  <Item Name> (4,179)
Flupenthixol dihydrochloride

>  <Catalog Number> (4,179)
S3664

>  <Synonyms> (4,179)
N/A

>  <Target> (4,179)
dopamine receptors

>  <Form> (4,179)
dihydrochloride

>  <URL> (4,179)
http://www.selleckchem.com/products/flupenthixol-dihydrochloride.html

>  <CAS Number> (4,179)
51529-01-2

$$$$
S3741 Benznidazole.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.9726    1.7626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8830    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850    2.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8043    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621    3.6202    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5043    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    4.6102    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6010    2.4772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804    0.3820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8093    1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0238    2.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0238    3.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2352    1.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2357    4.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4482    2.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4479    3.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  2  0  0  0  0
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  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
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M  END
>  <Mol_ID> (4,180)
4180

>  <Formula> (4,180)
C12H12N4O3

>  <MolWeight> (4,180)
260.24868

>  <Item Name> (4,180)
Benznidazole

>  <Catalog Number> (4,180)
S3741

>  <Synonyms> (4,180)
Radanil

>  <Target> (4,180)
Antifection

>  <Form> (4,180)
free base

>  <URL> (4,180)
http://www.selleckchem.com/products/benznidazole.html

>  <CAS Number> (4,180)
22994-85-0

$$$$
Colchicine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,181)
4181

>  <Formula> (4,181)
C22H25NO6

>  <MolWeight> (4,181)
399.437

>  <Item Name> (4,181)
Colchicine

>  <Catalog Number> (4,181)
S2284

>  <Synonyms> (4,181)
Colchineos, Colchisol, Colcin

>  <Target> (4,181)
Microtubule Associated inhibitor 

>  <Form> (4,181)
free base

>  <URL> (4,181)
http://www.selleckchem.com/products/colchicine.html

>  <CAS Number> (4,181)
64-86-8

$$$$
Cinchonine.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,182)
4182

>  <Formula> (4,182)
C19H22N2O

>  <MolWeight> (4,182)
294.39078

>  <Catalog Number> (4,182)
S2283

>  <Synonyms> (4,182)
N/A

>  <Target> (4,182)
Others

>  <Form> (4,182)
free base

>  <URL> (4,182)
http://www.selleckchem.com/products/cinchonine.html

>  <CAS Number> (4,182)
118-10-5

$$$$
S4760 (2-Hydroxypropyl)-¦Â-cyclodextrin (HP-¦Â-CD.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,183)
4183

>  <Formula> (4,183)
C63H112O42

>  <MolWeight> (4,183)
1541.53818

>  <Item Name> (4,183)
(2-Hydroxypropyl)-¦Â-cyclodextrin (HP-¦Â-CD)

>  <Catalog Number> (4,183)
S4760

>  <Synonyms> (4,183)
HP-¦Â-cyclodextrin

>  <Target> (4,183)
amyloid-¦Â aggregation

>  <Form> (4,183)
free base

>  <URL> (4,183)
http://www.selleckchem.com/products/2-hydroxypropyl-beta-cyclodextrin-hp-beta-cd.html

>  <CAS Number> (4,183)
128446-35-5

$$$$
S3666 Ilaprazole.cdx
csChFnd80/10101813242D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.8497    1.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,184)
4184

>  <Formula> (4,184)
C19H18N4O2S

>  <MolWeight> (4,184)
366.43682

>  <Item Name> (4,184)
Ilaprazole

>  <Catalog Number> (4,184)
S3666

>  <Synonyms> (4,184)
IY-81149

>  <Target> (4,184)
Proton pump,TOPK 

>  <Form> (4,184)
free base

>  <URL> (4,184)
http://www.selleckchem.com/products/ilaprazole.html

>  <CAS Number> (4,184)
172152-36-2

$$$$
S3678 PTP Inhibitor II.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.9000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    1.2124    0.0000 O   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
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  3  6  2  0  0  0  0
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  6  9  1  0  0  0  0
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M  END
>  <Mol_ID> (4,185)
4185

>  <Formula> (4,185)
C9H9BrO2

>  <MolWeight> (4,185)
229.07056

>  <Item Name> (4,185)
PTP Inhibitor II

>  <Catalog Number> (4,185)
S3678

>  <Synonyms> (4,185)
NSC 129010, 4-(Bromoacetyl)anisole

>  <Target> (4,185)
PTP

>  <Form> (4,185)
free base

>  <URL> (4,185)
http://www.selleckchem.com/products/ptp-inhibitor-2.html

>  <CAS Number> (4,185)
2632-13-5

$$$$
S3643 Amitraz.cdx
csChFnd80/10101813242D

 22 23  0  0  0  0  0  0  0  0999 V2000
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    2.4324    2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2094    0.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,186)
4186

>  <Formula> (4,186)
C19H23N3

>  <MolWeight> (4,186)
293.40602

>  <Item Name> (4,186)
Amitraz

>  <Catalog Number> (4,186)
S3643

>  <Synonyms> (4,186)
NSC 324552

>  <Target> (4,186)
¦Á2 adrenergic receptor

>  <Form> (4,186)
free base

>  <URL> (4,186)
http://www.selleckchem.com/products/amitraz.html

>  <CAS Number> (4,186)
33089-61-1

$$$$
S4759 p-Coumaric Acid.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,187)
4187

>  <Formula> (4,187)
C9H8O3

>  <MolWeight> (4,187)
164.15802

>  <Item Name> (4,187)
p-Coumaric Acid

>  <Catalog Number> (4,187)
S4759

>  <Synonyms> (4,187)
4-Hydroxycinnamic acid, P-Hydroxycinnamic acid, 4-Coumaric acid, Trans-p-Coumaric acid

>  <Target> (4,187)
Antifection

>  <Form> (4,187)
free base

>  <URL> (4,187)
http://www.selleckchem.com/products/p-coumaric-acid.html

>  <CAS Number> (4,187)
501-98-4

$$$$
S3686 Thioisonicotinamide.cdx
csChFnd80/10101813242D

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  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,188)
4188

>  <Formula> (4,188)
C6H6N2S

>  <MolWeight> (4,188)
138.19024

>  <Item Name> (4,188)
Thioisonicotinamide

>  <Catalog Number> (4,188)
S3686

>  <Synonyms> (4,188)
Pyridine-4-carbothioamide, Isothionicotinamide, 4-Pyridylthiocarboxamide

>  <Target> (4,188)
Others

>  <Form> (4,188)
free base

>  <URL> (4,188)
http://www.selleckchem.com/products/thioisonicotinamide.html

>  <CAS Number> (4,188)
2196-13-6

$$$$
S4758 Crocin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,189)
4189

>  <Formula> (4,189)
C44H64O24

>  <MolWeight> (4,189)
976.96456

>  <Item Name> (4,189)
Crocin

>  <Catalog Number> (4,189)
S4758

>  <Synonyms> (4,189)
Alpha-Crocin, Gardenia Yellow

>  <Target> (4,189)
Others

>  <Form> (4,189)
free base

>  <URL> (4,189)
http://www.selleckchem.com/products/crocin.html

>  <CAS Number> (4,189)
42553-65-1

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,190)
4190

>  <Formula> (4,190)
C26H45NO6S

>  <MolWeight> (4,190)
499.7036

>  <Item Name> (4,190)
Tauroursodeoxycholic Acid

>  <Catalog Number> (4,190)
S3654

>  <Synonyms> (4,190)
N/A

>  <Target> (4,190)
Others

>  <Form> (4,190)
free base

>  <URL> (4,190)
http://www.selleckchem.com/products/tauroursodeoxycholic-acid.html

>  <CAS Number> (4,190)
14605-22-2

$$$$
S3938 Bisdemethoxycurcumin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,191)
4191

>  <Formula> (4,191)
C19H16O4

>  <MolWeight> (4,191)
308.32794

>  <Item Name> (4,191)
Bisdemethoxycurcumin

>  <Catalog Number> (4,191)
S3938

>  <Synonyms> (4,191)
N/A

>  <Target> (4,191)
Others

>  <Form> (4,191)
free base

>  <URL> (4,191)
http://www.selleckchem.com/products/bisdemethoxycurcumin.html

>  <CAS Number> (4,191)
33171-05-0

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,192)
4192

>  <Formula> (4,192)
C15H14O3

>  <MolWeight> (4,192)
242.26986

>  <Item Name> (4,192)
4'-Methoxyresveratrol

>  <Catalog Number> (4,192)
S3939

>  <Synonyms> (4,192)
N/A

>  <Target> (4,192)
Others

>  <Form> (4,192)
free base

>  <URL> (4,192)
http://www.selleckchem.com/products/4-methoxyresveratrol.html

>  <CAS Number> (4,192)
33626-08-3

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,193)
4193

>  <Formula> (4,193)
C16H16O4

>  <MolWeight> (4,193)
272.29584

>  <Item Name> (4,193)
3'-Hydroxypterostilbene

>  <Catalog Number> (4,193)
S3940

>  <Synonyms> (4,193)
3'-HPT

>  <Target> (4,193)
Others

>  <Form> (4,193)
free base

>  <URL> (4,193)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

>  <CAS Number> (4,193)
475231-21-1

$$$$
S3941 Pinocembrin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,194)
4194

>  <Formula> (4,194)
C15H12O4

>  <MolWeight> (4,194)
256.25338

>  <Item Name> (4,194)
Pinocembrin

>  <Catalog Number> (4,194)
S3941

>  <Synonyms> (4,194)
Pinocembrin

>  <Target> (4,194)
Antifection

>  <Form> (4,194)
free base

>  <URL> (4,194)
http://www.selleckchem.com/products/pinocembrin.html

>  <CAS Number> (4,194)
480-39-7

$$$$
S3942 Cardamonin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,195)
4195

>  <Formula> (4,195)
C16H14O4

>  <MolWeight> (4,195)
270.27996

>  <Item Name> (4,195)
Cardamoni

>  <Catalog Number> (4,195)
S3867

>  <Synonyms> (4,195)
Alpinetin chalcone, cardamomin

>  <Target> (4,195)
NF-¦ÊB,Calcium Channel

>  <Form> (4,195)
free base

>  <CAS Number> (4,195)
 19309-14-9

$$$$
S3981 Sinapinic Acid.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,196)
4196

>  <Formula> (4,196)
C11H12O5

>  <MolWeight> (4,196)
224.20998

>  <Item Name> (4,196)
Sinapinic Acid

>  <Catalog Number> (4,196)
S3981

>  <Synonyms> (4,196)
Sinapic acid

>  <Target> (4,196)
Others

>  <Form> (4,196)
free base

>  <URL> (4,196)
http://www.selleckchem.com/products/sinapinic-acid.html

>  <CAS Number> (4,196)
530-59-6

$$$$
S3983 Caryophyllene oxide.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,197)
4197

>  <Formula> (4,197)
C15H24O

>  <MolWeight> (4,197)
220.35046

>  <Item Name> (4,197)
Caryophyllene oxide

>  <Catalog Number> (4,197)
S3983

>  <Synonyms> (4,197)
N/A

>  <Target> (4,197)
Others

>  <Form> (4,197)
free base

>  <URL> (4,197)
http://www.selleckchem.com/products/caryophyllene-oxide.html

>  <CAS Number> (4,197)
1139-30-6

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,198)
4198

>  <Formula> (4,198)
C18H22O4

>  <MolWeight> (4,198)
302.36488

>  <Item Name> (4,198)
Nordihydroguaiaretic acid

>  <Catalog Number> (4,198)
S3984

>  <Synonyms> (4,198)
N/A

>  <Target> (4,198)
lipoxygenase

>  <Form> (4,198)
free base

>  <URL> (4,198)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

>  <CAS Number> (4,198)
500-38-9

$$$$
S3959 (+)-Borneol.cdx
csChFnd80/10101813242D

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    3.2383    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,199)
4199

>  <Formula> (4,199)
C10H18O

>  <MolWeight> (4,199)
154.24932

>  <Item Name> (4,199)
(+)-Borneol

>  <Catalog Number> (4,199)
S3959

>  <Synonyms> (4,199)
N/A

>  <Target> (4,199)
Others

>  <Form> (4,199)
free base

>  <URL> (4,199)
http://www.selleckchem.com/products/positive-rotation-borneol.html

>  <CAS Number> (4,199)
464-43-7

$$$$
Solanesol.cdx
csChFnd80/10101813242D

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   10.9288    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6283    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7786    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    0.0024    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
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  4  6  1  0  0  0  0
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M  END
>  <Mol_ID> (4,200)
4200

>  <Formula> (4,200)
C45H74O

>  <MolWeight> (4,200)
631.06846

>  <Item Name> (4,200)
Solanesol (Nonaisoprenol)

>  <Catalog Number> (4,200)
S2360

>  <Synonyms> (4,200)
Nonaisoprenol, Betulanonaprenol

>  <Target> (4,200)
FAK

>  <Form> (4,200)
free base

>  <URL> (4,200)
http://www.selleckchem.com/products/solanesol-nonaisoprenol.html

>  <CAS Number> (4,200)
13190-97-1

$$$$
S3954 Alphalipoic acid.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.7000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6832    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9369    2.2528    0.0000 C   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
    8.2779    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4903    1.6832    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
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
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  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,201)
4201

>  <Formula> (4,201)
C8H14O2S2

>  <MolWeight> (4,201)
206.32556

>  <Item Name> (4,201)
Alphalipoic acid

>  <Catalog Number> (4,201)
S3954

>  <Synonyms> (4,201)
thioctic acid

>  <Target> (4,201)
ROS

>  <Form> (4,201)
free base

>  <URL> (4,201)
http://www.selleckchem.com/products/alphalipoic-acid.html

>  <CAS Number> (4,201)
1077-28-7

$$$$
S3956 Tetramethylpyrazine.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
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    1.2130    0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    0.0000    0.0000 N   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
    3.6326    2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    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
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (4,202)
4202

>  <Formula> (4,202)
C8H12N2

>  <MolWeight> (4,202)
136.19428

>  <Item Name> (4,202)
Tetramethylpyrazine

>  <Catalog Number> (4,202)
S3956

>  <Synonyms> (4,202)
ligustrazine

>  <Target> (4,202)
PDE

>  <Form> (4,202)
free base

>  <URL> (4,202)
http://www.selleckchem.com/products/tetramethylpyrazine.html

>  <CAS Number> (4,202)
1124-11-4

$$$$
S3960 Higenamine hydrochloride.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,203)
4203

>  <Formula> (4,203)
C16H18ClNO3

>  <MolWeight> (4,203)
307.77202

>  <Item Name> (4,203)
Higenamine hydrochloride

>  <Catalog Number> (4,203)
S3960

>  <Synonyms> (4,203)
Higenamine hydrochloride

>  <Target> (4,203)
¦Â2-adrenoceptor,¦Á1-adrenoceptor

>  <Form> (4,203)
hydrochloride

>  <URL> (4,203)
http://www.selleckchem.com/products/higenamine-hydrochloride.html

>  <CAS Number> (4,203)
11041-94-4

$$$$
S3961 Homoveratrumic acid.cdx
csChFnd80/10101813242D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4233    2.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    4.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    2.0829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8323    2.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    0.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    4.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    4.1884    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
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    7.2489    4.1886    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
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,204)
4204

>  <Formula> (4,204)
C10H12O4

>  <MolWeight> (4,204)
196.19988

>  <Item Name> (4,204)
Homoveratrumic acid

>  <Catalog Number> (4,204)
S3961

>  <Synonyms> (4,204)
Homoveratrumic acid

>  <Target> (4,204)
Others

>  <Form> (4,204)
free base

>  <URL> (4,204)
http://www.selleckchem.com/products/homoveratrumic-acid.html

>  <CAS Number> (4,204)
93-40-3

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/10101813242D

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    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066    3.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1999    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (4,205)
4205

>  <Formula> (4,205)
C6H13NO4

>  <MolWeight> (4,205)
163.17172

>  <Item Name> (4,205)
1-Deoxynojirimycin

>  <Catalog Number> (4,205)
S3839

>  <Synonyms> (4,205)
duvoglustat, moranolin

>  <Target> (4,205)
¦Á-glucosidase

>  <Form> (4,205)
free base

>  <URL> (4,205)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

>  <CAS Number> (4,205)
19130-96-2

$$$$
S3814 Tubeimoside I.cdx
csChFnd80/10101813242D

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   17.0347   11.2562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8343   11.9674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.0347    9.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2570   10.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2570   11.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6011   11.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8343   13.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8343    9.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2570    9.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2903   11.3673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2570   13.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6011    9.8560    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3231   11.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0347   14.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4570    8.6892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   14.6011    8.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1566   11.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6570    9.4004    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.4792    7.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6570   10.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5349    6.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1566    6.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   11.4895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   20.5904   13.5120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1572   11.4895    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.4119    5.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0784    4.7778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1230    8.4005    0.0000 H   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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M  END
>  <Mol_ID> (4,206)
4206

>  <Formula> (4,206)
C63H98O29

>  <MolWeight> (4,206)
1319.43482

>  <Item Name> (4,206)
Tubeimoside I

>  <Catalog Number> (4,206)
S3814

>  <Synonyms> (4,206)
Lobatoside H

>  <Target> (4,206)
Others

>  <Form> (4,206)
free base

>  <URL> (4,206)
http://www.selleckchem.com/products/tubeimoside-i.html

>  <CAS Number> (4,206)
102040-03-9

$$$$
S3815 Mogroside V.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,207)
4207

>  <Formula> (4,207)
C60H102O29

>  <MolWeight> (4,207)
1287.43448

>  <Item Name> (4,207)
Mogroside V

>  <Catalog Number> (4,207)
S3815

>  <Synonyms> (4,207)
N/A

>  <Target> (4,207)
Others

>  <Form> (4,207)
free base

>  <URL> (4,207)
http://www.selleckchem.com/products/mogroside-v.html

>  <CAS Number> (4,207)
88901-36-4

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,208)
4208

>  <Formula> (4,208)
C13H13ClN2O

>  <MolWeight> (4,208)
248.70812

>  <Item Name> (4,208)
Harmine hydrochloride

>  <Catalog Number> (4,208)
S3817

>  <Synonyms> (4,208)
telepathine hydrochloride

>  <Target> (4,208)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (4,208)
hydrochloride

>  <URL> (4,208)
http://www.selleckchem.com/products/harmine-hydrochloride.html

>  <CAS Number> (4,208)
343-27-1

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,209)
4209

>  <Formula> (4,209)
C19H20O5

>  <MolWeight> (4,209)
328.3591

>  <Item Name> (4,209)
Decursinol angelate

>  <Catalog Number> (4,209)
S3819

>  <Synonyms> (4,209)
N/A

>  <Target> (4,209)
PKC

>  <Form> (4,209)
free base

>  <URL> (4,209)
http://www.selleckchem.com/products/decursinol-angelate.html

>  <CAS Number> (4,209)
130848-06-5

$$$$
S3820 Dehydroevodiamine hydrochloride.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,210)
4210

>  <Formula> (4,210)
C19H16ClN3O

>  <MolWeight> (4,210)
337.80284

>  <Item Name> (4,210)
Dehydroevodiamine hydrochloride

>  <Catalog Number> (4,210)
S3820

>  <Synonyms> (4,210)
N/A

>  <Target> (4,210)
AChE

>  <Form> (4,210)
hydrochloride

>  <URL> (4,210)
http://www.selleckchem.com/products/dehydroevodiamine-hydrochloride.html

>  <CAS Number> (4,210)
111664-82-5

$$$$
S3822 Schisandrin A.cdx
csChFnd80/10101813242D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,211)
4211

>  <Formula> (4,211)
C24H32O6

>  <MolWeight> (4,211)
416.50728

>  <Item Name> (4,211)
Schisandrin A

>  <Catalog Number> (4,211)
S3822

>  <Synonyms> (4,211)
Deoxyschizandrin, Wuweizisu A

>  <Target> (4,211)
AdipoR2

>  <Form> (4,211)
free base

>  <URL> (4,211)
http://www.selleckchem.com/products/schisandrin-a.html

>  <CAS Number> (4,211)
61281-38-7

$$$$
S3823 Schizandrol A.cdx
csChFnd80/10101813242D

 31 33  0  0  0  0  0  0  0  0999 V2000
    3.9063    5.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,212)
4212

>  <Formula> (4,212)
C24H32O7

>  <MolWeight> (4,212)
432.50668

>  <Item Name> (4,212)
Schizandrol A

>  <Catalog Number> (4,212)
S3823

>  <Synonyms> (4,212)
N/A

>  <Target> (4,212)
Others

>  <Form> (4,212)
free base

>  <URL> (4,212)
http://www.selleckchem.com/products/schizandrol-a.html

>  <CAS Number> (4,212)
7432-28-2

$$$$
S3824 Quercitrin.cdx
csChFnd80/10101813242D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,213)
4213

>  <Formula> (4,213)
C21H20O11

>  <MolWeight> (4,213)
448.3769

>  <Item Name> (4,213)
Quercitrin

>  <Catalog Number> (4,213)
S3824

>  <Synonyms> (4,213)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (4,213)
Others

>  <Form> (4,213)
free base

>  <URL> (4,213)
http://www.selleckchem.com/products/quercitrin.html

>  <CAS Number> (4,213)
522-12-3

$$$$
S3825 Glycitin.cdx
csChFnd80/10101813242D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    4.8850    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638    4.2155    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3721    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5845    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6459    2.8156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4603    4.9309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5845    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.1311    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2391    4.2464    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4782    6.3308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7969    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213    2.8465    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4068    0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0357    4.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1856    0.0467    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  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 18 14  1  6  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  1  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  6  0  0  0
 25 30  1  6  0  0  0
 25 28  1  0  0  0  0
 28 31  1  1  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (4,214)
4214

>  <Formula> (4,214)
C22H22O10

>  <MolWeight> (4,214)
446.40408

>  <Item Name> (4,214)
Glycitin

>  <Catalog Number> (4,214)
S3825

>  <Synonyms> (4,214)
Glycitein-7-¦Â-O-glucoside

>  <Target> (4,214)
Others

>  <Form> (4,214)
free base

>  <URL> (4,214)
http://www.selleckchem.com/products/glycitin.html

>  <CAS Number> (4,214)
40246-10-4

$$$$
S3826 Hydroxytyrosol.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6525    3.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6398    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4426    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251    3.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    3.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2735    4.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4132    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
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,215)
4215

>  <Formula> (4,215)
C8H10O3

>  <MolWeight> (4,215)
154.1632

>  <Item Name> (4,215)
Hydroxytyrosol

>  <Catalog Number> (4,215)
S3826

>  <Synonyms> (4,215)
3-Hydroxytyrosol; 3,4-dihydroxyphenylethanol; Dihydroxyphenylethanol

>  <Target> (4,215)
Others

>  <Form> (4,215)
free base

>  <URL> (4,215)
http://www.selleckchem.com/products/hydroxytyrosol.html

>  <CAS Number> (4,215)
10597-60-1

$$$$
S3827 Royal jelly acid.cdx
csChFnd80/10101813242D

 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
    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
    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
    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
   13.3368    1.4000    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
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  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,216)
4216

>  <Formula> (4,216)
C10H18O3

>  <MolWeight> (4,216)
186.24812

>  <Item Name> (4,216)
Royal jelly acid

>  <Catalog Number> (4,216)
S3827

>  <Synonyms> (4,216)
10-Hydroxy-trans-2-decenoic acid, 10H2DA|

>  <Target> (4,216)
Others

>  <Form> (4,216)
free base

>  <URL> (4,216)
http://www.selleckchem.com/products/royal-jelly-acid.html

>  <CAS Number> (4,216)
14113-05-4

$$$$
S3828 Orcinol glucoside.cdx
csChFnd80/10101813242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8498    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  2  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
    6.0621    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
    1.2125    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    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
    8.4871    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  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  6  0  0  0
  3  4  1  0  0  0  0
  3  8  1  1  0  0  0
  4  5  1  0  0  0  0
  4  9  1  6  0  0  0
  5  6  1  0  0  0  0
  5 10  1  1  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,217)
4217

>  <Formula> (4,217)
C13H18O7

>  <MolWeight> (4,217)
286.27782

>  <Item Name> (4,217)
Orcinol glucoside

>  <Catalog Number> (4,217)
S3828

>  <Synonyms> (4,217)
Sakakin

>  <Target> (4,217)
Others

>  <Form> (4,217)
free base

>  <URL> (4,217)
http://www.selleckchem.com/products/orcinol-glucoside.html

>  <CAS Number> (4,217)
21082-33-7

$$$$
S3829 Isoalantolactone.cdx
csChFnd80/10101813242D

 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
    7.2877    2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8806    2.0866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0693    4.1466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759    3.4452    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4311    3.4452    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4311    2.0866    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6549    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6549    4.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4999    4.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2776    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4311    4.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311    0.6866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2342    0.7319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
 11  1  2  0  0  0  0
  3  2  1  0  0  0  0
 12  2  2  0  0  0  0
  8  3  1  0  0  0  0
  5  3  1  0  0  0  0
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  9  5  1  0  0  0  0
  5 19  1  6  0  0  0
  6  9  1  0  0  0  0
 14  6  1  0  0  0  0
  6 15  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
 10  7  1  0  0  0  0
  7 18  1  6  0  0  0
 13 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 17 16  1  0  0  0  0
  3 20  1  6  0  0  0
M  END
>  <Mol_ID> (4,218)
4218

>  <Formula> (4,218)
C15H20O2

>  <MolWeight> (4,218)
232.3181

>  <Item Name> (4,218)
Isoalantolactone

>  <Catalog Number> (4,218)
S3829

>  <Synonyms> (4,218)
N/A

>  <Target> (4,218)
Others

>  <URL> (4,218)
http://www.selleckchem.com/products/isoalantolactone.html

>  <CAS Number> (4,218)
470-17-7

$$$$
S3833 Amentoflavone.cdx
csChFnd80/10101813242D

 40 45  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    5.6000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 23 24  2  0  0  0  0
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 16 31  1  0  0  0  0
M  END
>  <Mol_ID> (4,219)
4219

>  <Formula> (4,219)
C30H18O10

>  <MolWeight> (4,219)
538.45792

>  <Item Name> (4,219)
Amentoflavone

>  <Catalog Number> (4,219)
S3833

>  <Synonyms> (4,219)
Didemethyl Ginkgetin

>  <Target> (4,219)
Others

>  <Form> (4,219)
free base

>  <URL> (4,219)
http://www.selleckchem.com/products/amentoflavone.html

>  <CAS Number> (4,219)
1617-53-4

$$$$
S3834 Astaxanthin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,220)
4220

>  <Formula> (4,220)
C40H52O4

>  <MolWeight> (4,220)
596.83848

>  <Item Name> (4,220)
Astaxanthin

>  <Catalog Number> (4,220)
S3834

>  <Synonyms> (4,220)
¦Â-Carotene-4,4'-dione, trans-Astaxanthin

>  <Target> (4,220)
Others

>  <Form> (4,220)
free base

>  <URL> (4,220)
http://www.selleckchem.com/products/astaxanthin.html

>  <CAS Number> (4,220)
472-61-7

$$$$
S3835 Loganin.cdx
csChFnd80/10101813242D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,221)
4221

>  <Formula> (4,221)
C17H26O10

>  <MolWeight> (4,221)
390.38234

>  <Item Name> (4,221)
Loganin

>  <Catalog Number> (4,221)
S3835

>  <Synonyms> (4,221)
Loganoside

>  <Target> (4,221)
AChE,BACE1,BChE

>  <Form> (4,221)
free base

>  <URL> (4,221)
http://www.selleckchem.com/products/loganin.html

>  <CAS Number> (4,221)
18524-94-2

$$$$
S3836 6-Gingerol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,222)
4222

>  <Formula> (4,222)
C17H26O4

>  <MolWeight> (4,222)
294.38594

>  <Item Name> (4,222)
6-Gingerol

>  <Catalog Number> (4,222)
S3836

>  <Synonyms> (4,222)
CI-1011

>  <Target> (4,222)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (4,222)
free base

>  <URL> (4,222)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

>  <CAS Number> (4,222)
23513-14-6

$$$$
S3838 Carnosic acid.cdx
csChFnd80/10101813242D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,223)
4223

>  <Formula> (4,223)
C20H28O4

>  <MolWeight> (4,223)
332.43392

>  <Item Name> (4,223)
Carnosic acid

>  <Catalog Number> (4,223)
S3838

>  <Synonyms> (4,223)
salvin

>  <Target> (4,223)
Others

>  <Form> (4,223)
free base

>  <URL> (4,223)
http://www.selleckchem.com/products/carnosic-acid.html

>  <CAS Number> (4,223)
3650-09-7

$$$$
S3840 Baohuoside I.cdx
csChFnd80/10101813242D

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 11 12  1  0  0  0  0
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  1 16  1  0  0  0  0
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 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (4,224)
4224

>  <Formula> (4,224)
C27H30O10

>  <MolWeight> (4,224)
514.5211

>  <Item Name> (4,224)
Baohuoside I

>  <Catalog Number> (4,224)
S3840

>  <Synonyms> (4,224)
Icariside II

>  <Target> (4,224)
ROS

>  <URL> (4,224)
http://www.selleckchem.com/products/baohuoside-i.html

>  <CAS Number> (4,224)
113558-15-9

$$$$
S3841 Eleutheroside B.cdx
csChFnd80/10101813242D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,225)
4225

>  <Formula> (4,225)
C17H24O9

>  <MolWeight> (4,225)
372.36706

>  <Item Name> (4,225)
Eleutheroside B

>  <Catalog Number> (4,225)
S3841

>  <Synonyms> (4,225)
syringin, Syringoside, Lilacin

>  <Target> (4,225)
Others

>  <Form> (4,225)
free base

>  <URL> (4,225)
http://www.selleckchem.com/products/eleutheroside-b.html

>  <CAS Number> (4,225)
118-34-3

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/10101813242D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    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
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (4,226)
4226

>  <Formula> (4,226)
C21H20O12

>  <MolWeight> (4,226)
464.3763

>  <Item Name> (4,226)
Isoquercitrin

>  <Catalog Number> (4,226)
S3842

>  <Synonyms> (4,226)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (4,226)
Wnt/¦Â-catenin

>  <Form> (4,226)
free base

>  <URL> (4,226)
http://www.selleckchem.com/products/isoquercitrin.html

>  <CAS Number> (4,226)
482-35-9

$$$$
S3957 Gamma-Oryzanol.cdx
csChFnd80/10101813242D

 47 52  0  0  0  0  0  0  0  0999 V2000
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   15.7519    5.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6449    7.1411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 30 32  1  0  0  0  0
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 35 39  2  0  0  0  0
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 42 44  1  0  0  0  0
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  3 46  1  1  0  0  0
 20 47  1  6  0  0  0
M  END
>  <Mol_ID> (4,227)
4227

>  <Formula> (4,227)
C40H58O4

>  <MolWeight> (4,227)
602.88612

>  <Item Name> (4,227)
Gamma-Oryzanol

>  <Catalog Number> (4,227)
S3957

>  <Synonyms> (4,227)
N/A

>  <Target> (4,227)
Others

>  <Form> (4,227)
free base

>  <URL> (4,227)
http://www.selleckchem.com/products/gamma-oryzanol.html

>  <CAS Number> (4,227)
11042-64-1

$$$$
S3962 Dihydroactinidiolide.cdx
csChFnd80/10101813242D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.3820    2.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3820    3.4269    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7194    3.8447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4926    2.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7194    1.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1702    1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3820    4.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4388    0.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  3  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2  9  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
  8 13  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,228)
4228

>  <Formula> (4,228)
C11H16O2

>  <MolWeight> (4,228)
180.24354

>  <Item Name> (4,228)
Dihydroactinidiolide

>  <Catalog Number> (4,228)
S3962

>  <Synonyms> (4,228)
N/A

>  <Target> (4,228)
Others

>  <Form> (4,228)
free base

>  <URL> (4,228)
http://www.selleckchem.com/products/dihydroactinidiolide.html

>  <CAS Number> (4,228)
17092-92-1

$$$$
S3968 Histamine.cdx
csChFnd80/10101813242D

  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> (4,229)
4229

>  <Formula> (4,229)
C5H9N3

>  <MolWeight> (4,229)
111.14506

>  <Item Name> (4,229)
Histamine

>  <Catalog Number> (4,229)
S3968

>  <Synonyms> (4,229)
N/A

>  <Target> (4,229)
Histamine receptor

>  <Form> (4,229)
free base

>  <URL> (4,229)
http://www.selleckchem.com/products/histamine.html

>  <CAS Number> (4,229)
51-45-6

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0606    5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2155    4.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    3.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6155    4.5793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3918    5.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358    5.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3935    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    1.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0155    4.5803    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6145    5.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    3.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    7.3758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    5.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8235    7.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    3.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3149    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147    0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3471    4.6019    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  2  5  2  0  0  0  0
  4  2  1  0  0  0  0
  2  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  2  0  0  0  0
 18  4  2  0  0  0  0
 21  5  1  0  0  0  0
  8  6  1  0  0  0  0
 19  6  2  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  0  0  0  0
  7 10  2  0  0  0  0
 20  8  2  0  0  0  0
 13 10  1  0  0  0  0
 12 11  2  0  0  0  0
 22 11  1  0  0  0  0
 15 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 13  2  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 15 23  1  0  0  0  0
 24 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,230)
4230

>  <Formula> (4,230)
C19H17NaO6S

>  <MolWeight> (4,230)
396.38945

>  <Item Name> (4,230)
Tanshinone IIA sulfonate (sodium)

>  <Catalog Number> (4,230)
S3766

>  <Synonyms> (4,230)
N/A

>  <Target> (4,230)
CYP3A4

>  <Form> (4,230)
sodium salt

>  <URL> (4,230)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

>  <CAS Number> (4,230)
69659-80-9

$$$$
S3769 Palmatine.cdx
csChFnd80/10101813242D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.0651    2.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8544    2.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    2.1084    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0657    4.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8538    0.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4897    2.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2784    0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2763    4.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    0.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0681    0.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4906    4.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2769    6.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7016    4.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4847    7.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2171    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9140    4.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0057    0.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9110    7.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1275    4.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1234    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,231)
4231

>  <Formula> (4,231)
C21H22NO4+

>  <MolWeight> (4,231)
352.40368

>  <Item Name> (4,231)
Palmatine

>  <Catalog Number> (4,231)
S3769

>  <Synonyms> (4,231)
Berbericinine, Burasaine

>  <Target> (4,231)
AChE,BChE 

>  <Form> (4,231)
free base

>  <URL> (4,231)
http://www.selleckchem.com/products/palmatine.html

>  <CAS Number> (4,231)
3486-67-7

$$$$
S3771 Stachydrine.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.5939    1.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274    2.1586    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2652    1.3430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8410    0.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8763    3.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6401    0.8539    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1841    3.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0576    3.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,232)
4232

>  <Formula> (4,232)
C7H13NO2

>  <MolWeight> (4,232)
143.18362

>  <Item Name> (4,232)
Stachydrine

>  <Catalog Number> (4,232)
S3771

>  <Synonyms> (4,232)
	Proline betaine, L-stachydrine, Methyl hygrate betaine

>  <Target> (4,232)
Others

>  <Form> (4,232)
inner salt

>  <URL> (4,232)
http://www.selleckchem.com/products/stachydrine.html

>  <CAS Number> (4,232)
471-87-4

$$$$
S3773 Tyrosol.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    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
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,233)
4233

>  <Formula> (4,233)
C8H10O2

>  <MolWeight> (4,233)
138.1638

>  <Item Name> (4,233)
Tyrosol

>  <Catalog Number> (4,233)
S3773

>  <Synonyms> (4,233)
4-Hydroxyphenylethanol, 4-Hydroxyphenethyl alcohol, 2-(4-Hydroxyphenyl)ethanol

>  <Target> (4,233)
Others

>  <Form> (4,233)
free base

>  <URL> (4,233)
http://www.selleckchem.com/products/tyrosol.html

>  <CAS Number> (4,233)
501-94-0

$$$$
S3774 Dehydroandrographolide Succinate Potasium Salt.cdx
csChFnd80/10101813242D

 40 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,234)
4234

>  <Formula> (4,234)
C28H35KO10

>  <MolWeight> (4,234)
570.6698

>  <Item Name> (4,234)
Dehydroandrographolide Succinate Potasium Sa

>  <Catalog Number> (4,234)
S3774

>  <Synonyms> (4,234)
N/A

>  <Target> (4,234)
Immunology & Inflammation

>  <Form> (4,234)
potassium salt

>  <URL> (4,234)
http://www.selleckchem.com/products/dehydroandrographolide-succinate-potasium-salt.html

>  <CAS Number> (4,234)
76958-99-1

$$$$
S3775 Ligustrazine hydrochloride.cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.6387    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,235)
4235

>  <Formula> (4,235)
C8H13ClN2

>  <MolWeight> (4,235)
172.65522

>  <Item Name> (4,235)
Ligustrazine hydrochloride

>  <Catalog Number> (4,235)
S3775

>  <Synonyms> (4,235)
Tetramethylpyrazine HCl, Tetrapyrazine HCl

>  <Target> (4,235)
Immunology & Inflammation

>  <Form> (4,235)
hydrochloride

>  <URL> (4,235)
http://www.selleckchem.com/products/ligustrazine-hydrochloride.html

>  <CAS Number> (4,235)
76494-51-4

$$$$
Lappaconitine.cdx
csChFnd80/10101813242D

 46 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,236)
4236

>  <Formula> (4,236)
C32H44N2O8

>  <MolWeight> (4,236)
584.70036

>  <Item Name> (4,236)
Lappaconitine

>  <Catalog Number> (4,236)
S2318

>  <Synonyms> (4,236)
N/A

>  <Target> (4,236)
Sodium channel 

>  <Form> (4,236)
free base

>  <URL> (4,236)
http://www.selleckchem.com/products/lappaconitine.html

>  <CAS Number> (4,236)
32854-75-4

$$$$
S3759 Norcantharidin.cdx
csChFnd80/10101813242D

 12 14  0  0  0  0  0  0  0  0999 V2000
    0.2182    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,237)
4237

>  <Formula> (4,237)
C8H8O4

>  <MolWeight> (4,237)
168.14672

>  <Item Name> (4,237)
Norcantharidin

>  <Catalog Number> (4,237)
S3759

>  <Synonyms> (4,237)
Endothall anhydride

>  <Target> (4,237)
c-Met,EGFR

>  <Form> (4,237)
free base

>  <URL> (4,237)
http://www.selleckchem.com/products/norcantharidin.html

>  <CAS Number> (4,237)
29745-04-8

$$$$
S3914 ¦Á-Hederin.cdx
csChFnd80/10101813242D

 56 62  0  0  0  0  0  0  0  0999 V2000
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   18.3423   10.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2930    8.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1700   12.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5906    6.1658    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0866    4.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4536    4.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3665   11.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4538    9.3028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2428    7.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 25  1  0  0  0  0
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 23 29  1  0  0  0  0
 23 30  2  0  0  0  0
 24 31  1  0  0  0  0
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 24 28  1  0  0  0  0
 25 33  1  1  0  0  0
 26 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  1  0  0  0
 36 38  1  6  0  0  0
 36 39  1  0  0  0  0
 37 40  1  0  0  0  0
 38 41  1  0  0  0  0
 39 42  1  0  0  0  0
 39 43  1  1  0  0  0
 40 42  1  0  0  0  0
 41 44  1  0  0  0  0
 41 45  1  1  0  0  0
 42 46  1  1  0  0  0
 44 47  1  0  0  0  0
 44 48  1  6  0  0  0
 45 49  1  0  0  0  0
 47 50  1  0  0  0  0
 47 51  1  6  0  0  0
 49 52  1  6  0  0  0
 49 50  1  0  0  0  0
 50 53  1  1  0  0  0
 12 56  1  1  0  0  0
M  END
>  <Mol_ID> (4,238)
4238

>  <Formula> (4,238)
C41H66O12

>  <MolWeight> (4,238)
750.95554

>  <Item Name> (4,238)
¦Á-Hederin

>  <Catalog Number> (4,238)
S3914

>  <Synonyms> (4,238)
N/A

>  <Target> (4,238)
Others

>  <Form> (4,238)
free base

>  <URL> (4,238)
http://www.selleckchem.com/products/alpha-hederin.html

>  <CAS Number> (4,238)
27013-91-8

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/10101813242D

 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
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    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7601    5.3750    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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  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  2  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
 13 18  1  0  0  0  0
  8 19  1  6  0  0  0
  7 20  1  6  0  0  0
 21  9  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
 16 24  1  0  0  0  0
 21 25  1  6  0  0  0
 25 20  1  6  0  0  0
M  CFW  27 BOND_GSTEREO 4
M  END
>  <Mol_ID> (4,239)
4239

>  <Formula> (4,239)
C19H24ClNO4

>  <MolWeight> (4,239)
365.85116

>  <Item Name> (4,239)
Sinomenine hydrochloride

>  <Catalog Number> (4,239)
S3758

>  <Synonyms> (4,239)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (4,239)
Immunology & Inflammation

>  <Form> (4,239)
hydrochloride

>  <URL> (4,239)
http://www.selleckchem.com/products/sinomenine-hydrochloride.html

>  <CAS Number> (4,239)
6080-33-7

$$$$
S3760 Stachydrine hydrochloride.cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.2655    1.6374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1321    2.4310    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5723    2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8474    0.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0604    3.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1871    3.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8391    3.4549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6199    1.1889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460    0.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619    0.0000    0.0000 Cl  0  5  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  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,240)
4240

>  <Formula> (4,240)
C7H14ClNO2

>  <MolWeight> (4,240)
179.64456

>  <Item Name> (4,240)
Stachydrine hydrochloride

>  <Catalog Number> (4,240)
S3760

>  <Synonyms> (4,240)
N/A

>  <Target> (4,240)
Others

>  <Form> (4,240)
chloride

>  <URL> (4,240)
http://www.selleckchem.com/products/stachydrine-hydrochloride.html

>  <CAS Number> (4,240)
4136-37-2

$$$$
S3764 Isoferulic Acid.cdx
csChFnd80/10101813242D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8451    3.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    2.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    4.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    4.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2707    3.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4106    3.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5012    4.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    1.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7407    3.4808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5012    5.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0824    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  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,241)
4241

>  <Formula> (4,241)
C10H10O4

>  <MolWeight> (4,241)
194.184

>  <Item Name> (4,241)
Isoferulic Acid

>  <Catalog Number> (4,241)
S3764

>  <Synonyms> (4,241)
Hesperetic acid, Hesperetate, Isoferulate

>  <Target> (4,241)
Others

>  <Form> (4,241)
free base

>  <URL> (4,241)
http://www.selleckchem.com/products/isoferulic-acid.html

>  <CAS Number> (4,241)
537-73-5

$$$$
S3777 Gentiopicroside.cdx
csChFnd80/10101813242D

 26 28  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
    3.6373    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  2  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    2.1000    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
    0.0000    4.2000    0.0000 C   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
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    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
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  1  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
    9.6995    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  2  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
   10.9119    4.9000    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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  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  6  0  0  0
 18 21  1  0  0  0  0
 18 22  1  1  0  0  0
 19 23  1  1  0  0  0
 19 21  1  0  0  0  0
 21 24  1  6  0  0  0
 22 25  1  0  0  0  0
 15 26  1  6  0  0  0
M  END
>  <Mol_ID> (4,242)
4242

>  <Formula> (4,242)
C16H20O9

>  <MolWeight> (4,242)
356.3246

>  <Item Name> (4,242)
Gentiopicroside

>  <Catalog Number> (4,242)
S3777

>  <Synonyms> (4,242)
Gentiopicrin

>  <Target> (4,242)
CYP2A6,CYP2E1

>  <Form> (4,242)
free base

>  <URL> (4,242)
http://www.selleckchem.com/products/gentiopicroside.html

>  <CAS Number> (4,242)
20831-76-9

$$$$
S3782 Neomangiferin.cdx
csChFnd80/10101813242D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.4727    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (4,243)
4243

>  <Formula> (4,243)
C25H28O16

>  <MolWeight> (4,243)
584.48022

>  <Item Name> (4,243)
Neomangiferin

>  <Catalog Number> (4,243)
S3782

>  <Synonyms> (4,243)
Mangiferin 7-glucoside

>  <Target> (4,243)
Others

>  <Form> (4,243)
free base

>  <URL> (4,243)
http://www.selleckchem.com/products/neomangiferin.html

>  <CAS Number> (4,243)
64809-67-2

$$$$
S3783 Echinacoside.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,244)
4244

>  <Formula> (4,244)
C35H46O20

>  <MolWeight> (4,244)
786.72774

>  <Item Name> (4,244)
Echinacoside

>  <Catalog Number> (4,244)
S3783

>  <Synonyms> (4,244)
N/A

>  <Target> (4,244)
Others

>  <Form> (4,244)
free base

>  <URL> (4,244)
http://www.selleckchem.com/products/echinacoside.html

>  <CAS Number> (4,244)
82854-37-3

$$$$
S3784 Obacunone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,245)
4245

>  <Formula> (4,245)
C26H30O7

>  <MolWeight> (4,245)
454.5122

>  <Item Name> (4,245)
Obacunone

>  <Catalog Number> (4,245)
S3784

>  <Synonyms> (4,245)
N/A

>  <Target> (4,245)
Nrf2,Aromatase

>  <Form> (4,245)
free base

>  <URL> (4,245)
http://www.selleckchem.com/products/obacunone.html

>  <CAS Number> (4,245)
751-03-1

$$$$
S3786 Glabridin.cdx
csChFnd80/10101813242D

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>  <Form> (4,246)
free base

>  <URL> (4,246)
http://www.selleckchem.com/products/glabridin.html

>  <CAS Number> (4,246)
59870-68-7

$$$$
S3787 Picroside I.cdx
csChFnd80/10101813242D

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>  <Item Name> (4,247)
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>  <Synonyms> (4,247)
6'-Cinnamoylcatalpol

>  <Target> (4,247)
Antifection

>  <Form> (4,247)
free base

>  <URL> (4,247)
http://www.selleckchem.com/products/picroside-i.html

>  <CAS Number> (4,247)
27409-30-9

$$$$
S3780 Secoisolariciresinol diglucoside.cdx
csChFnd80/10101813242D

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free base

>  <URL> (4,248)
http://www.selleckchem.com/products/secoisolariciresinol-diglucoside.html

>  <CAS Number> (4,248)
148244-82-0

$$$$
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   10.1178    7.9008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
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 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  6  0  0  0
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 22 25  1  0  0  0  0
 22 33  1  1  0  0  0
 24 26  1  0  0  0  0
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 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
M  END
>  <Mol_ID> (4,249)
4249

>  <Formula> (4,249)
C27H39NO2

>  <MolWeight> (4,249)
409.60406

>  <Item Name> (4,249)
Veratramine

>  <Catalog Number> (4,249)
S3911

>  <Synonyms> (4,249)
NSC 17821, NSC 23880

>  <Target> (4,249)
Sodium Channel

>  <Form> (4,249)
free base

>  <URL> (4,249)
http://www.selleckchem.com/products/veratramine.html

>  <CAS Number> (4,249)
60-70-8

$$$$
S3912 Cephalotaxine.cdx
csChFnd80/10101813242D

 24 28  0  0  0  0  0  0  0  0999 V2000
    7.0305    4.0380    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6695    3.7546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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  9 14  2  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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 22 23  1  0  0  0  0
 23  3  1  0  0  0  0
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M  END
>  <Mol_ID> (4,250)
4250

>  <Formula> (4,250)
C18H21NO4

>  <MolWeight> (4,250)
315.36364

>  <Item Name> (4,250)
Cephalotaxine

>  <Catalog Number> (4,250)
S3912

>  <Synonyms> (4,250)
N/A

>  <Target> (4,250)
Others

>  <Form> (4,250)
free base

>  <URL> (4,250)
http://www.selleckchem.com/products/cephalotaxine.html

>  <CAS Number> (4,250)
24316-19-6

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/10101813242D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  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 11  2  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
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
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 18 20  2  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
M  END
>  <Mol_ID> (4,251)
4251

>  <Formula> (4,251)
C17H14O5

>  <MolWeight> (4,251)
298.29006

>  <Item Name> (4,251)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Catalog Number> (4,251)
S3918

>  <Synonyms> (4,251)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (4,251)
Others

>  <Form> (4,251)
free base

>  <URL> (4,251)
http://www.selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

>  <CAS Number> (4,251)
5128-44-9

$$$$
S3929 Liquiritigenin.cdx
csChFnd80/10101813242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  1  0  0  0
  8 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,252)
4252

>  <Formula> (4,252)
C15H12O4

>  <MolWeight> (4,252)
256.25338

>  <Item Name> (4,252)
Liquiritigenin

>  <Catalog Number> (4,252)
S3929

>  <Synonyms> (4,252)
4',7-Dihydroxyflavanone

>  <Target> (4,252)
ER¦Â,VEGF

>  <Form> (4,252)
free base

>  <URL> (4,252)
http://www.selleckchem.com/products/liquiritigenin.html

>  <CAS Number> (4,252)
578-86-9

$$$$
S3930 Liquiritin.cdx
csChFnd80/10101813242D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6280    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    3.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8478    1.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2071    3.5221    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
  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
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 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  6  0  0  0
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 24 26  1  0  0  0  0
 26 29  1  6  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (4,253)
4253

>  <Formula> (4,253)
C21H22O9

>  <MolWeight> (4,253)
418.39398

>  <Item Name> (4,253)
Liquiritin

>  <Catalog Number> (4,253)
S3930

>  <Synonyms> (4,253)
Liquiritoside, Liquiritigenin-4'-O-glucoside

>  <Target> (4,253)
Others

>  <Form> (4,253)
free base

>  <URL> (4,253)
http://www.selleckchem.com/products/liquiritin.html

>  <CAS Number> (4,253)
551-15-5

$$$$
S3932 Astilbin.cdx
csChFnd80/10101813242D

 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
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    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
    8.5252    3.5087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7623    7.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5308    9.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419    7.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419    4.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5113    2.1225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7307    4.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7623    8.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366    6.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366    4.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419    2.8381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7326    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2949    1.4295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9386    3.4993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0145    9.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9411    2.0792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7108    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1424    4.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
 13 19  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  1  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 20 21  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 28 31  1  6  0  0  0
 14 32  1  0  0  0  0
M  END
>  <Mol_ID> (4,254)
4254

>  <Formula> (4,254)
C21H22O11

>  <MolWeight> (4,254)
450.39278

>  <Item Name> (4,254)
Astilbin

>  <Catalog Number> (4,254)
S3932

>  <Synonyms> (4,254)
Isoastilbin, Neoastilbin, Neoisoastilbin, Taxifolin 3-O-rhamnoside, Taxifolin 3-rhamnoside

>  <Target> (4,254)
Immunology & Inflammation related

>  <Form> (4,254)
free base

>  <URL> (4,254)
http://www.selleckchem.com/products/astilbin.html

>  <CAS Number> (4,254)
29838-67-3

$$$$
S3933 10-deacetyl-paclitaxel,10-DAT.cdx
csChFnd80/10101813242D

 61 67  0  0  0  0  0  0  0  0999 V2000
   16.6230    5.4612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7876    6.5983    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0308    5.6314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8706    4.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8806    4.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4572    6.0801    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3291    7.8902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3480    4.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5879    6.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7545    3.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1807    6.7916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3643    4.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7291    8.0447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8030    9.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9402    9.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1393    3.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2517    1.8721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2862    9.3522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7778   10.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8828    8.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0692    8.0061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0339    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8968    4.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8348    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0692   10.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4699    8.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8194    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557    8.0061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4699   10.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0339    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412    8.6946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2557    6.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412   10.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    8.0061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267   10.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557   10.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6278    8.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2557   12.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    8.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6278   10.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4133    6.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3700    5.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3923    5.3297    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  0  0  0  0
  2 60  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 61  1  6  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  1  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
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 21 29  1  0  0  0  0
 21 30  2  0  0  0  0
 23 31  1  1  0  0  0
 23 25  1  0  0  0  0
 25 32  2  0  0  0  0
 28 33  1  6  0  0  0
 28 32  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  2  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 34 38  2  0  0  0  0
 35 39  1  0  0  0  0
 37 40  1  0  0  0  0
 37 41  2  0  0  0  0
 38 42  1  0  0  0  0
 39 42  2  0  0  0  0
 40 43  1  0  0  0  0
 40 44  1  6  0  0  0
 43 45  1  0  0  0  0
 43 46  1  1  0  0  0
 45 47  2  0  0  0  0
 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
 47 50  1  0  0  0  0
 48 51  2  0  0  0  0
 49 52  1  0  0  0  0
 49 53  2  0  0  0  0
 50 54  2  0  0  0  0
 51 54  1  0  0  0  0
 52 55  2  0  0  0  0
 52 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56 58  2  0  0  0  0
 57 59  2  0  0  0  0
 58 59  1  0  0  0  0
M  END
>  <Mol_ID> (4,255)
4255

>  <Formula> (4,255)
C45H49NO13

>  <MolWeight> (4,255)
811.86946

>  <Item Name> (4,255)
10-deacetyl-paclitaxel

>  <Catalog Number> (4,255)
S3933

>  <Synonyms> (4,255)
10-DAT, Deacetyl Paclitaxel

>  <Target> (4,255)
Others

>  <Form> (4,255)
free base

>  <URL> (4,255)
http://www.selleckchem.com/products/10-deacetyl-paclitaxel.html

>  <CAS Number> (4,255)
78432-77-6

$$$$
S3754 4-Hydroxybenzoic acid.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2303    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2303    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0063    3.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4468    6.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219    6.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    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  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,256)
4256

>  <Formula> (4,256)
C7H6O3

>  <MolWeight> (4,256)
138.12074

>  <Item Name> (4,256)
4-Hydroxybenzoic acid

>  <Catalog Number> (4,256)
S3754

>  <Synonyms> (4,256)
p-hydroxybenzoic acid, PHBA, para-Hydroxybenzoic acid, 4-hydroxybenzoate

>  <Target> (4,256)
Others

>  <Form> (4,256)
free base

>  <URL> (4,256)
http://www.selleckchem.com/products/4-hydroxybenzoic-acid.html

>  <CAS Number> (4,256)
99-96-7

$$$$
S3755 Betaine.cdx
csChFnd80/10101813242D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 N   0  3  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
    0.5124    2.6124    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
    1.9124    0.1876    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
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  5  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
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,257)
4257

>  <Formula> (4,257)
C5H11NO2

>  <MolWeight> (4,257)
117.14634

>  <Item Name> (4,257)
Betaine

>  <Catalog Number> (4,257)
S3755

>  <Synonyms> (4,257)
trimethylglycine, glycine betaine, lycine, oxyneurine

>  <Target> (4,257)
Others

>  <Form> (4,257)
inner salt

>  <URL> (4,257)
http://www.selleckchem.com/products/betaine.html

>  <CAS Number> (4,257)
107-43-7

$$$$
S3757 2'-Deoxyinosine.cdx
csChFnd80/10101813242D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.7417    5.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1650    3.8724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.1623    1.6064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,258)
4258

>  <Formula> (4,258)
C10H12N4O4

>  <MolWeight> (4,258)
252.22668

>  <Item Name> (4,258)
2'-Deoxyinosine

>  <Catalog Number> (4,258)
S3757

>  <Synonyms> (4,258)
Guanine deoxyriboside, Deoxyinosine

>  <Target> (4,258)
Others

>  <Form> (4,258)
free base

>  <URL> (4,258)
http://www.selleckchem.com/products/2-deoxyinosine.html

>  <CAS Number> (4,258)
890-38-0

$$$$
S3837 Echinocystic acid.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,259)
4259

>  <Formula> (4,259)
C30H48O4

>  <MolWeight> (4,259)
472.69972

>  <Item Name> (4,259)
Echinocystic acid

>  <Catalog Number> (4,259)
S3837

>  <Synonyms> (4,259)
N/A

>  <Target> (4,259)
Immunology & Inflammation

>  <Form> (4,259)
free base

>  <URL> (4,259)
http://www.selleckchem.com/products/echinocystic-acid.html

>  <CAS Number> (4,259)
510-30-5

$$$$
S3844 Rosavin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,260)
4260

>  <Formula> (4,260)
C20H28O10

>  <MolWeight> (4,260)
428.43032

>  <Item Name> (4,260)
Rosavin

>  <Catalog Number> (4,260)
S3844

>  <Synonyms> (4,260)
N/A

>  <Target> (4,260)
Others

>  <Form> (4,260)
free base

>  <URL> (4,260)
http://www.selleckchem.com/products/rosavin.html

>  <CAS Number> (4,260)
84954-92-7

$$$$
S3846 Eupatilin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,261)
4261

>  <Formula> (4,261)
C18H16O7

>  <MolWeight> (4,261)
344.31544

>  <Item Name> (4,261)
Eupatilin

>  <Catalog Number> (4,261)
S3846

>  <Synonyms> (4,261)
NSC 122413

>  <Target> (4,261)
Others

>  <Form> (4,261)
free base

>  <URL> (4,261)
http://www.selleckchem.com/products/eupatilin.html

>  <CAS Number> (4,261)
22368-21-4

$$$$
S3848 Hydroxytyrosol Acetate.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,262)
4262

>  <Formula> (4,262)
C10H12O4

>  <MolWeight> (4,262)
196.19988

>  <Item Name> (4,262)
Hydroxytyrosol Acetate

>  <Catalog Number> (4,262)
S3848

>  <Synonyms> (4,262)
HTy-Ac

>  <Target> (4,262)
Others

>  <Form> (4,262)
free base

>  <URL> (4,262)
http://www.selleckchem.com/products/hydroxytyrosol-acetate.html

>  <CAS Number> (4,262)
69039-02-7

$$$$
S4766 Gibberellic acid.cdx
csChFnd80/10101813242D

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    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
    9.5729    4.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6003    1.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (4,263)
4263

>  <Formula> (4,263)
C19H22O6

>  <MolWeight> (4,263)
346.37438

>  <Item Name> (4,263)
Gibberellic acid

>  <Catalog Number> (4,263)
S4766

>  <Synonyms> (4,263)
Gibberellin, Gibberellin A3, GA3

>  <Target> (4,263)
Others

>  <Form> (4,263)
free base

>  <URL> (4,263)
http://www.selleckchem.com/products/gibberellic-acid.html

>  <CAS Number> (4,263)
77-06-5

$$$$
S3948 Spermine.cdx
csChFnd80/10101813242D

 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> (4,264)
4264

>  <Formula> (4,264)
C10H26N4

>  <MolWeight> (4,264)
202.34024

>  <Item Name> (4,264)
Spermine

>  <Catalog Number> (4,264)
S3948

>  <Synonyms> (4,264)
4,9-Diaza-1,12-dodecanediamine

>  <Target> (4,264)
Others

>  <Form> (4,264)
free base

>  <URL> (4,264)
http://www.selleckchem.com/products/spermine.html

>  <CAS Number> (4,264)
71-44-3

$$$$
S3947 Hydroumbellic acid.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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
    0.0000    0.0000    0.0000 O   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
    7.2746    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
  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
  7  9  2  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
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,265)
4265

>  <Formula> (4,265)
C9H10O4

>  <MolWeight> (4,265)
182.1733

>  <Item Name> (4,265)
Hydroumbellic acid

>  <Catalog Number> (4,265)
S3947

>  <Synonyms> (4,265)
2,4-Dihydroxyhydrocinnamic acid

>  <Target> (4,265)
Others

>  <Form> (4,265)
free base

>  <URL> (4,265)
http://www.selleckchem.com/products/hydroumbellic-acid.html

>  <CAS Number> (4,265)
5631-68-5

$$$$
S3946 Mesterolone.cdx
csChFnd80/10101813242D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.1036    2.8704    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8893    3.5644    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3220    3.5644    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1036    1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6709    2.8704    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8893    4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3220    4.9484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7549    3.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8893    0.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6709    1.4864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4565    3.5644    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6709    4.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    5.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5365    5.6423    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3220    6.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7549    4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4565    0.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2382    2.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4565    4.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5365    7.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2382    1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    4.3176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8893    2.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3220    2.3696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6709    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 23  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 24  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 25  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  1  0  0  0
  7 13  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 26  1  6  0  0  0
 11 18  1  0  0  0  0
 11 19  1  6  0  0  0
 14 20  1  1  0  0  0
 14 16  1  0  0  0  0
 17 21  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,266)
4266

>  <Formula> (4,266)
C20H32O2

>  <MolWeight> (4,266)
304.46688

>  <Item Name> (4,266)
Mesterolone

>  <Catalog Number> (4,266)
S3946

>  <Synonyms> (4,266)
Androviron, Mesteranum, Proviron

>  <Target> (4,266)
Androgen receptor

>  <Form> (4,266)
free base

>  <URL> (4,266)
http://www.selleckchem.com/products/mesterolone.html

>  <CAS Number> (4,266)
1424-00-6

$$$$
S3945 L-Cycloserine.cdx
csChFnd80/10101813242D

  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> (4,267)
4267

>  <Formula> (4,267)
C3H6N2O2

>  <MolWeight> (4,267)
102.09194

>  <Item Name> (4,267)
L-Cycloserine

>  <Catalog Number> (4,267)
S3945

>  <Synonyms> (4,267)
Levcycloserine, Levcicloserina, Levcycloserinum, (-)-Cycloserine, (S)-Cycloserine

>  <Target> (4,267)
3-ketodihydrosphingosine synthetase

>  <Form> (4,267)
free base

>  <URL> (4,267)
http://www.selleckchem.com/products/l-cycloserine.html

>  <CAS Number> (4,267)
339-72-0

$$$$
S3979 Zinc Undecylenate.cdx
csChFnd80/10101813242D

 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> (4,268)
4268

>  <Formula> (4,268)
C22H38O4Zn

>  <MolWeight> (4,268)
431.92472

>  <Item Name> (4,268)
Zinc Undecylenate

>  <Catalog Number> (4,268)
S3979

>  <Synonyms> (4,268)
Zinc diundec-10-enoate, Zinc 10-undecenoate

>  <Target> (4,268)
Antifection

>  <Form> (4,268)
zinc salt

>  <URL> (4,268)
http://www.selleckchem.com/products/zinc-undecylenate.html

>  <CAS Number> (4,268)
557-08-4

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/10101813242D

 72 78  0  0  0  0  0  0  0  0999 V2000
    6.0656    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6408    3.4994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6415    2.0994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8543    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4280    4.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    1.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756    8.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    7.7006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0642    6.3006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2770    5.6013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4891    6.3019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4884    7.7019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,269)
4269

>  <Formula> (4,269)
C48H82O18

>  <MolWeight> (4,269)
947.15388

>  <Item Name> (4,269)
Ginsenoside Re

>  <Catalog Number> (4,269)
S3811

>  <Synonyms> (4,269)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (4,269)
Others

>  <Form> (4,269)
free base

>  <URL> (4,269)
http://www.selleckchem.com/products/ginsenoside-re.html

>  <CAS Number> (4,269)
52286-59-6

$$$$
S3812 Monocrotaline.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,270)
4270

>  <Formula> (4,270)
C16H23NO6

>  <MolWeight> (4,270)
325.35692

>  <Item Name> (4,270)
Monocrotaline

>  <Catalog Number> (4,270)
S3812

>  <Synonyms> (4,270)
Crotaline

>  <Target> (4,270)
Others

>  <Form> (4,270)
free base

>  <URL> (4,270)
http://www.selleckchem.com/products/monocrotaline.html

>  <CAS Number> (4,270)
315-22-0

$$$$
S3885 Pyrogallol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,271)
4271

>  <Formula> (4,271)
C6H6O3

>  <MolWeight> (4,271)
126.11004

>  <Item Name> (4,271)
Pyrogallol

>  <Catalog Number> (4,271)
S3885

>  <Synonyms> (4,271)
1,2,3-trihydroxybenzene

>  <Target> (4,271)
ROS

>  <Form> (4,271)
free base

>  <URL> (4,271)
http://www.selleckchem.com/products/pyrogallol.html

>  <CAS Number> (4,271)
87-66-1

$$$$
S3886 Quinic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,272)
4272

>  <Formula> (4,272)
C7H12O6

>  <MolWeight> (4,272)
192.16658

>  <Item Name> (4,272)
Quinic acid

>  <Catalog Number> (4,272)
S3886

>  <Synonyms> (4,272)
Chinic acid, Kinic acid

>  <Target> (4,272)
Others

>  <Form> (4,272)
free base

>  <URL> (4,272)
http://www.selleckchem.com/products/quinic-acid.html

>  <CAS Number> (4,272)
77-95-2

$$$$
S3887 L-Rhamnose monohydrate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,273)
4273

>  <Formula> (4,273)
C6H14O6

>  <MolWeight> (4,273)
182.17176

>  <Item Name> (4,273)
L-Rhamnose monohydrate

>  <Catalog Number> (4,273)
S3887

>  <Synonyms> (4,273)
6-deoxy-L-mannose monohydrate

>  <Target> (4,273)
Others

>  <Form> (4,273)
hydrate

>  <URL> (4,273)
http://www.selleckchem.com/products/l-rhamnose-monohydrate.html

>  <CAS Number> (4,273)
6155-35-7

$$$$
S3888 3,4`,5-Trimethoxy-trans-stilbene.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,274)
4274

>  <Formula> (4,274)
C17H18O3

>  <MolWeight> (4,274)
270.32302

>  <Item Name> (4,274)
3,4',5-Trimethoxy-trans-stilbene

>  <Catalog Number> (4,274)
S3888

>  <Synonyms> (4,274)
MR-3

>  <Target> (4,274)
Others

>  <Form> (4,274)
free base

>  <URL> (4,274)
http://www.selleckchem.com/products/3-4-5-trimethoxy-trans-stilbene.html

>  <CAS Number> (4,274)
22255-22-7

$$$$
S3889 Arteether.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,275)
4275

>  <Formula> (4,275)
C17H28O5

>  <MolWeight> (4,275)
312.40122

>  <Item Name> (4,275)
Arteether

>  <Catalog Number> (4,275)
S3889

>  <Synonyms> (4,275)
N/A

>  <Target> (4,275)
Others

>  <Form> (4,275)
free base

>  <URL> (4,275)
http://www.selleckchem.com/products/arteether.html

>  <CAS Number> (4,275)
75887-54-6

$$$$
S3890 Leonurine.cdx
csChFnd80/10101813242D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 15  3  1  0  0  0  0
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 14  4  1  0  0  0  0
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 12  5  1  0  0  0  0
 10  6  2  0  0  0  0
 16  6  1  0  0  0  0
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M  END
>  <Mol_ID> (4,276)
4276

>  <Formula> (4,276)
C14H21N3O5

>  <MolWeight> (4,276)
311.33364

>  <Item Name> (4,276)
Leonurine

>  <Catalog Number> (4,276)
S3890

>  <Synonyms> (4,276)
N/A

>  <Target> (4,276)
Others

>  <Form> (4,276)
free base

>  <URL> (4,276)
http://www.selleckchem.com/products/leonurine.html

>  <CAS Number> (4,276)
24697-74-3

$$$$
S3892 Isopsoralen.cdx
csChFnd80/10101813242D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,277)
4277

>  <Formula> (4,277)
C11H6O3

>  <MolWeight> (4,277)
186.16354

>  <Item Name> (4,277)
Isopsoralen

>  <Catalog Number> (4,277)
S3892

>  <Synonyms> (4,277)
angelicin

>  <Target> (4,277)
Immunology & Inflammation related

>  <Form> (4,277)
free base

>  <URL> (4,277)
http://www.selleckchem.com/products/isopsoralen.html

>  <CAS Number> (4,277)
523-50-2

$$$$
S3873 Methyl 4-hydroxycinnamate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,278)
4278

>  <Formula> (4,278)
C10H10O3

>  <MolWeight> (4,278)
178.1846

>  <Item Name> (4,278)
Methyl 4-hydroxycinnamate

>  <Catalog Number> (4,278)
S3873

>  <Synonyms> (4,278)
OMpCA

>  <Target> (4,278)
Others

>  <Form> (4,278)
free base

>  <URL> (4,278)
http://www.selleckchem.com/products/methyl-4-hydroxycinnamate.html

>  <CAS Number> (4,278)
19367-38-5

$$$$
S3874 Curcumenol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,279)
4279

>  <Formula> (4,279)
C15H22O2

>  <MolWeight> (4,279)
234.33398

>  <Item Name> (4,279)
Curcumenol

>  <Catalog Number> (4,279)
S3874

>  <Synonyms> (4,279)
N/A

>  <Target> (4,279)
NF-¦ÊB

>  <Form> (4,279)
free base

>  <URL> (4,279)
http://www.selleckchem.com/products/curcumenol.html

>  <CAS Number> (4,279)
19431-84-6

$$$$
S3875 Alpinetin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,280)
4280

>  <Formula> (4,280)
C16H14O4

>  <MolWeight> (4,280)
270.27996

>  <Item Name> (4,280)
Alpinetin

>  <Catalog Number> (4,280)
S3875

>  <Synonyms> (4,280)
N/A

>  <Target> (4,280)
Others

>  <Form> (4,280)
free base

>  <URL> (4,280)
http://www.selleckchem.com/products/alpinetin.html

>  <CAS Number> (4,280)
36052-37-6

$$$$
S3877 Lysionotin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,281)
4281

>  <Formula> (4,281)
C18H16O7

>  <MolWeight> (4,281)
344.31544

>  <Item Name> (4,281)
Lysionotin

>  <Catalog Number> (4,281)
S3877

>  <Synonyms> (4,281)
N/A

>  <Target> (4,281)
Immunology & Inflammation related

>  <Form> (4,281)
free base

>  <URL> (4,281)
http://www.selleckchem.com/products/lysionotin.html

>  <CAS Number> (4,281)
152743-19-6

$$$$
S3878 Bavachinin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,282)
4282

>  <Formula> (4,282)
C21H22O4

>  <MolWeight> (4,282)
338.39698

>  <Item Name> (4,282)
Bavachinin

>  <Catalog Number> (4,282)
S3878

>  <Synonyms> (4,282)
7-O-Methylbavachin

>  <Target> (4,282)
PPAR

>  <Form> (4,282)
free base

>  <URL> (4,282)
http://www.selleckchem.com/products/bavachinin.html

>  <CAS Number> (4,282)
19879-30-2

$$$$
S3881 Scopoletin.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,283)
4283

>  <Formula> (4,283)
C10H8O4

>  <MolWeight> (4,283)
192.16812

>  <Item Name> (4,283)
Scopoletin

>  <Catalog Number> (4,283)
S3881

>  <Synonyms> (4,283)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (4,283)
Immunology & Inflammation related

>  <Form> (4,283)
free base

>  <URL> (4,283)
http://www.selleckchem.com/products/scopoletin.html

>  <CAS Number> (4,283)
92-61-5

$$$$
S3883 Protopine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,284)
4284

>  <Formula> (4,284)
C20H19NO5

>  <MolWeight> (4,284)
353.36856

>  <Item Name> (4,284)
Protopine

>  <Catalog Number> (4,284)
S3883

>  <Synonyms> (4,284)
Corydinine, Fumarine, Biflorine, Macleyine

>  <Target> (4,284)
Calcium channel/Histamine Receptor

>  <Form> (4,284)
free base

>  <URL> (4,284)
http://www.selleckchem.com/products/protopine.html

>  <CAS Number> (4,284)
130-86-9

$$$$
S3884 Jatrorrhizine.cdx
csChFnd80/10101813242D

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   12.1244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 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
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  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
M  END
>  <Mol_ID> (4,285)
4285

>  <Formula> (4,285)
C20H20NO4+

>  <MolWeight> (4,285)
338.3771

>  <Item Name> (4,285)
Jatrorrhizine

>  <Catalog Number> (4,285)
S3884

>  <Synonyms> (4,285)
neprotin, Yatrorizine

>  <Target> (4,285)
AChE

>  <Form> (4,285)
free base

>  <URL> (4,285)
http://www.selleckchem.com/products/jatrorrhizine.html

>  <CAS Number> (4,285)
3621-38-3

$$$$
S3800 Lycorine hydrochloride.cdx
csChFnd80/10101813242D

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.7871    2.8003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9973    2.0984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5771    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871    4.1968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9973    0.7019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2110    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5771    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3634    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    4.8987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5624    4.9062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4632    0.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2126    1.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2110    4.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3634    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1532    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    6.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1532    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8226    2.5335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8720    2.5745    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
  1 22  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 23  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  6  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 11  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  1  0  0  0
  9 14  1  0  0  0  0
 12 13  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,286)
4286

>  <Formula> (4,286)
C16H18ClNO4

>  <MolWeight> (4,286)
323.77142

>  <Item Name> (4,286)
Lycorine hydrochloride

>  <Catalog Number> (4,286)
S3800

>  <Synonyms> (4,286)
Galanthidine hydrochloride, Amarylline hydrochloride, Narcissine hydrochloride, Licorine hydrochlorid

>  <Target> (4,286)
HCV proteases

>  <Form> (4,286)
hydrochloride

>  <URL> (4,286)
http://www.selleckchem.com/products/lycorine-hydrochloride.html

>  <CAS Number> (4,286)
2188-68-3

$$$$
S3802 Trigonelline Hydrochloride.cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.4322    2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    3.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    5.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    3.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    1.1689    0.0000 Cl  0  5  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  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,287)
4287

>  <Formula> (4,287)
C7H8ClNO2

>  <MolWeight> (4,287)
173.59692

>  <Item Name> (4,287)
Trigonelline Hydrochloride

>  <Catalog Number> (4,287)
S3802

>  <Synonyms> (4,287)
Nicotinic acid N-methylbetaine Hydrochloride, Coffearine Hydrochloride, Coffearine Hydrochloride

>  <Target> (4,287)
Others

>  <Form> (4,287)
chloride

>  <URL> (4,287)
http://www.selleckchem.com/products/trigonelline-hydrochloride.html

>  <CAS Number> (4,287)
6138-41-6

$$$$
S3803 Angelic acid.cdx
csChFnd80/10101813242D

  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> (4,288)
4288

>  <Formula> (4,288)
C5H8O2

>  <MolWeight> (4,288)
100.11582

>  <Catalog Number> (4,288)
S3803

>  <Synonyms> (4,288)
(Z)-2-Methylbut-2-enoic acid

>  <Target> (4,288)
Others

>  <Form> (4,288)
free base

>  <URL> (4,288)
http://www.selleckchem.com/products/angelic-acid.html

>  <CAS Number> (4,288)
565-63-9

$$$$
S3804 Alpha-Mangostin.cdx
csChFnd80/10101813242D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.8632    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8632    0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    2.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    2.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    0.0265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    0.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4319    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    4.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    4.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3412    4.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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  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
  7 12  2  0  0  0  0
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  9 15  1  0  0  0  0
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 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
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 21 25  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
>  <Mol_ID> (4,289)
4289

>  <Formula> (4,289)
C24H26O6

>  <MolWeight> (4,289)
410.45964

>  <Item Name> (4,289)
Alpha-Mangostin

>  <Catalog Number> (4,289)
S3804

>  <Synonyms> (4,289)
N/A

>  <Target> (4,289)
Others

>  <Form> (4,289)
free base

>  <URL> (4,289)
http://www.selleckchem.com/products/alpha-mangostin.html

>  <CAS Number> (4,289)
6147-11-1

$$$$
S3807 Dehydroandrographolide.cdx
csChFnd80/10101813242D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6568    3.0971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6568    4.4971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8805    2.3971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4329    2.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    5.1874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8805    5.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6568    5.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    3.0971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3568    1.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455    1.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994    3.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    6.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994    4.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    4.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3133    2.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1488    8.2623    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 24  1  6  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
  3 10  1  6  0  0  0
  4 11  1  0  0  0  0
  5 12  1  6  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8 15  1  1  0  0  0
  8 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  1  0  0  0  0
  9 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,290)
4290

>  <Formula> (4,290)
C20H28O4

>  <MolWeight> (4,290)
332.43392

>  <Item Name> (4,290)
Dehydroandrographolide

>  <Catalog Number> (4,290)
S3807

>  <Synonyms> (4,290)
N/A

>  <Target> (4,290)
Others

>  <Form> (4,290)
free base

>  <URL> (4,290)
http://www.selleckchem.com/products/dehydroandrographolide.html

>  <CAS Number> (4,290)
134418-28-3

$$$$
S3808 Mangiferin.cdx
csChFnd80/10101813242D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.4961    4.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4961    5.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    3.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    3.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7132    6.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (4,291)
4291

>  <Formula> (4,291)
C19H18O11

>  <MolWeight> (4,291)
422.33962

>  <Item Name> (4,291)
Mangiferin

>  <Catalog Number> (4,291)
S3808

>  <Synonyms> (4,291)
Alpizarin, Chinomin, Hedysarid

>  <Target> (4,291)
Others

>  <Form> (4,291)
free base

>  <URL> (4,291)
http://www.selleckchem.com/products/mangiferin.html

>  <CAS Number> (4,291)
4773-96-0

$$$$
S3809 Imperatorin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,292)
4292

>  <Formula> (4,292)
C16H14O4

>  <MolWeight> (4,292)
270.27996

>  <Item Name> (4,292)
Imperatorin

>  <Catalog Number> (4,292)
S3809

>  <Synonyms> (4,292)
Ammidin, Marmelosin, Pentosalen, 8-Isoamylenoxypsoralen, 8-Isopentenyloxypsoralene

>  <Target> (4,292)
Calcium channel

>  <Form> (4,292)
free base

>  <URL> (4,292)
http://www.selleckchem.com/products/imperatorin.html

>  <CAS Number> (4,292)
482-44-0

$$$$
S3847 Panaxatriol.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,293)
4293

>  <Formula> (4,293)
C30H52O4

>  <MolWeight> (4,293)
476.73148

>  <Item Name> (4,293)
Panaxatriol

>  <Catalog Number> (4,293)
S3847

>  <Synonyms> (4,293)
N/A

>  <Target> (4,293)
Others

>  <Form> (4,293)
free base

>  <URL> (4,293)
http://www.selleckchem.com/products/panaxatriol.html

>  <CAS Number> (4,293)
32791-84-7

$$$$
S3915 Gracillin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,294)
4294

>  <Formula> (4,294)
C45H72O17

>  <MolWeight> (4,294)
885.04298

>  <Item Name> (4,294)
Gracillin

>  <Catalog Number> (4,294)
S3915

>  <Synonyms> (4,294)
N/A

>  <Target> (4,294)
Others

>  <Form> (4,294)
free base

>  <URL> (4,294)
http://www.selleckchem.com/products/gracillin.html

>  <CAS Number> (4,294)
19083-00-2

$$$$
S3916 Macranthoidin B.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,295)
4295

>  <Formula> (4,295)
C65H106O32

>  <MolWeight> (4,295)
1399.51794

>  <Item Name> (4,295)
Macranthoidin B

>  <Catalog Number> (4,295)
S3916

>  <Synonyms> (4,295)
 Macranthoiside I

>  <Target> (4,295)
Others

>  <Form> (4,295)
free base

>  <URL> (4,295)
http://www.selleckchem.com/products/macranthoidin-b.html

>  <CAS Number> (4,295)
136849-88-2

$$$$
S3919 Hederacoside C.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,296)
4296

>  <Formula> (4,296)
C59H96O26

>  <MolWeight> (4,296)
1221.37794

>  <Item Name> (4,296)
Hederacoside C

>  <Catalog Number> (4,296)
S3919

>  <Synonyms> (4,296)
Kalopanaxsaponin B

>  <Target> (4,296)
Others

>  <Form> (4,296)
free base

>  <URL> (4,296)
http://www.selleckchem.com/products/hederacoside-c.html

>  <CAS Number> (4,296)
14216-03-6

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/10101813242D

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 35 40  1  0  0  0  0
 36 43  1  0  0  0  0
 36 44  1  6  0  0  0
 37 45  1  0  0  0  0
 38 46  1  1  0  0  0
 38 39  1  0  0  0  0
 40 47  1  6  0  0  0
 41 48  1  0  0  0  0
 43 49  1  0  0  0  0
 43 50  1  1  0  0  0
 45 49  1  0  0  0  0
 46 51  1  0  0  0  0
 46 52  1  0  0  0  0
 46 53  1  0  0  0  0
 49 54  1  6  0  0  0
 29 58  1  6  0  0  0
M  END
>  <Mol_ID> (4,297)
4297

>  <Formula> (4,297)
C41H68O14

>  <MolWeight> (4,297)
784.97022

>  <Item Name> (4,297)
Astragaloside IV

>  <Catalog Number> (4,297)
S3901

>  <Synonyms> (4,297)
AST-IV, AS-IV

>  <Target> (4,297)
Others

>  <Form> (4,297)
free base

>  <URL> (4,297)
http://www.selleckchem.com/products/sastragaloside-iv.html

>  <CAS Number> (4,297)
84687-43-4

$$$$
S3778 Patchouli alcohol.cdx
csChFnd80/10101813242D

 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> (4,298)
4298

>  <Formula> (4,298)
C15H26O

>  <MolWeight> (4,298)
222.36634

>  <Item Name> (4,298)
Patchouli alcohol

>  <Catalog Number> (4,298)
S3778

>  <Synonyms> (4,298)
(-)-Patchouli Alcohol, Patchoulol, Patchouli camphor

>  <Target> (4,298)
Immunology & Inflammation related

>  <Form> (4,298)
free base

>  <URL> (4,298)
http://www.selleckchem.com/products/patchouli-alcohol.html

>  <CAS Number> (4,298)
5986-55-0

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/10101813242D

 32 37  0  0  0  0  0  0  0  0999 V2000
    6.0576    3.5342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2155    4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    3.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168    5.6360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6325    4.9289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6263    3.5288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8359    2.8234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0574    4.9185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2654    5.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.8968    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4490    3.5006    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8595    3.4670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8789    4.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    5.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4354    2.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2162    1.4191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7242    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7242    3.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    7.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    6.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    2.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1026    5.5434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    1.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8357    2.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6422    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7849    4.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2050    0.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6306    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6277    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0379    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
 11  1  1  0  0  0  0
  1  7  1  6  0  0  0
  1 15  1  0  0  0  0
  4  2  1  0  0  0  0
  2 23  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4 20  1  1  0  0  0
  5  4  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  1  0  0  0
  5  6  1  0  0  0  0
  6 22  1  1  0  0  0
  6  7  1  0  0  0  0
  7 25  1  1  0  0  0
  8 18  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 14 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  6  0  0  0
 12 13  1  0  0  0  0
 13 24  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  1  0  0  0
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (4,299)
4299

>  <Formula> (4,299)
C20H24O11

>  <MolWeight> (4,299)
440.39796

>  <Item Name> (4,299)
Ginkgolide C

>  <Catalog Number> (4,299)
S3781

>  <Synonyms> (4,299)
BN-52022

>  <Target> (4,299)
Others

>  <Form> (4,299)
free base

>  <URL> (4,299)
http://www.selleckchem.com/products/ginkgolide-c.html

>  <CAS Number> (4,299)
15291-76-6

$$$$
S3789 Tiglic acid.cdx
csChFnd80/10101813242D

  7  6  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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,300)
4300

>  <Formula> (4,300)
C5H8O2

>  <MolWeight> (4,300)
100.11582

>  <Item Name> (4,300)
Tiglic acid

>  <Catalog Number> (4,300)
S3789

>  <Synonyms> (4,300)
Cevadic acid, Sabadillic acid, Tiglinic acid

>  <Target> (4,300)
Others

>  <Form> (4,300)
free base

>  <URL> (4,300)
http://www.selleckchem.com/products/tiglic-acid.html

>  <CAS Number> (4,300)
80-59-1

$$$$
S3790 Methyl gallate.cdx
csChFnd80/10101813242D

 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> (4,301)
4301

>  <Formula> (4,301)
C8H8O5

>  <MolWeight> (4,301)
184.14612

>  <Item Name> (4,301)
Methyl gallate

>  <Catalog Number> (4,301)
S3790

>  <Synonyms> (4,301)
Methylgallate, Gallic acid methyl ester, Gallicin

>  <Target> (4,301)
Immunology & Inflammation related

>  <Form> (4,301)
free base

>  <URL> (4,301)
http://www.selleckchem.com/products/methyl-gallate.html

>  <CAS Number> (4,301)
99-24-1

$$$$
S3791 Succinic acid.cdx
csChFnd80/10101813242D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    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
    6.0622    2.1000    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
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  1  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
  6  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,302)
4302

>  <Formula> (4,302)
C4H6O4

>  <MolWeight> (4,302)
118.08804

>  <Item Name> (4,302)
Succinic acid

>  <Catalog Number> (4,302)
S3791

>  <Synonyms> (4,302)
1,4-Butandioic Acid; 1,2-Ethanedicarboxylic acid; Amber acid; Asuccin; Butanedioic acid

>  <Target> (4,302)
Others

>  <Form> (4,302)
free base

>  <URL> (4,302)
http://www.selleckchem.com/products/succinic-acid.html

>  <CAS Number> (4,302)
110-15-6

$$$$
S3794 Palmitic acid.cdx
csChFnd80/10101813242D

 18 17  0  0  0  0  0  0  0  0999 V2000
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    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
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    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
   19.3990    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 O   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    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  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
 11 14  2  0  0  0  0
 12 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
M  END
>  <Mol_ID> (4,303)
4303

>  <Formula> (4,303)
C16H32O2

>  <MolWeight> (4,303)
256.42408

>  <Item Name> (4,303)
Palmitic acid

>  <Catalog Number> (4,303)
S3794

>  <Synonyms> (4,303)
hexadecanoic acid, Cetylic acid

>  <Target> (4,303)
Others

>  <Form> (4,303)
free base

>  <URL> (4,303)
http://www.selleckchem.com/products/palmitic-acid.html

>  <CAS Number> (4,303)
57-10-3

$$$$
S3795 Phloretic acid.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6482    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4377    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    0.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8607    2.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    2.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2688    2.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5094    2.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2688    4.1447    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
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,304)
4304

>  <Formula> (4,304)
C9H10O3

>  <MolWeight> (4,304)
166.1739

>  <Item Name> (4,304)
Phloretic acid

>  <Catalog Number> (4,304)
S3795

>  <Synonyms> (4,304)
Desaminotyrosine, Hydro-p-coumaric acid, Phloretate, 3-(4-Hydroxyphenyl)propanoic acid

>  <Target> (4,304)
Others

>  <Form> (4,304)
free base

>  <URL> (4,304)
http://www.selleckchem.com/products/phloretic-acid.html

>  <CAS Number> (4,304)
501-97-3

$$$$
S3796 Rebaudioside A.cdx
csChFnd80/10101813242D

 70 77  0  0  0  0  0  0  0  0999 V2000
    9.8975    4.2874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7487    4.9233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0873    4.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8670    3.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8975    2.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899    4.2874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7487    6.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0873    6.2567    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5745    5.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7487    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899    2.9129    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4412    4.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899    5.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8975    6.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7483    7.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8774    5.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4412    2.2153    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2514    4.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1435    7.7766    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2514    2.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8873    1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9540    1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7895    9.0414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0130    6.6061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5230    0.9434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6771    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2270    9.1184    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9568   10.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3884    6.6538    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6717    2.0925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8733   10.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9672    7.9318    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.1674    5.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2770    3.4361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.9795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0544   11.1120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3641    8.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5643    5.5836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4258    4.5847    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3947    3.0975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6717    0.6665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0853   12.5697    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.3636   10.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9691    4.4311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9796    5.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8675   13.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3173   13.2628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.6096   11.1294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1794    5.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1589    7.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5511   12.5858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3064   14.6628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8274   10.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7578   13.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0397   11.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7487    3.7642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899    1.6103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3353   11.4700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1121   12.6370    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4898   13.8932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0908   13.9824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3140   12.8154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9363   11.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9168   12.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2954   14.1590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4693   15.2369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5093   12.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2656   15.0587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3441   10.4787    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  1  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 57  1  1  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
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  7 14  1  0  0  0  0
  8 15  1  6  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 58  1  1  0  0  0
 12 18  1  0  0  0  0
 19 15  1  1  0  0  0
 17 20  1  0  0  0  0
 17 21  1  6  0  0  0
 17 22  1  1  0  0  0
 18 20  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  2  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  6  0  0  0
 24 29  1  0  0  0  0
 30 25  1  1  0  0  0
 27 31  1  1  0  0  0
 27 32  1  0  0  0  0
 29 33  1  1  0  0  0
 29 32  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
 36 31  1  1  0  0  0
 32 37  1  6  0  0  0
 33 38  1  0  0  0  0
 34 39  1  0  0  0  0
 35 40  1  0  0  0  0
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 36 42  1  0  0  0  0
 36 43  1  0  0  0  0
 39 44  1  0  0  0  0
 39 45  1  1  0  0  0
 40 46  1  1  0  0  0
 40 44  1  0  0  0  0
 42 47  1  6  0  0  0
 42 48  1  0  0  0  0
 43 49  1  0  0  0  0
 44 50  1  6  0  0  0
 45 51  1  0  0  0  0
 48 52  1  0  0  0  0
 48 53  1  1  0  0  0
 49 54  1  1  0  0  0
 49 52  1  0  0  0  0
 52 55  1  6  0  0  0
 54 56  1  0  0  0  0
 28 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 59  1  0  0  0  0
 63 65  1  6  0  0  0
 65 66  1  0  0  0  0
 62 67  1  1  0  0  0
 60 68  1  1  0  0  0
 61 69  1  6  0  0  0
 59 70  1  1  0  0  0
M  END
>  <Mol_ID> (4,305)
4305

>  <Formula> (4,305)
C44H70O23

>  <MolWeight> (4,305)
967.0128

>  <Item Name> (4,305)
Rebaudioside A

>  <Catalog Number> (4,305)
S3796

>  <Synonyms> (4,305)
Reb A, Glycoside A3, Stevioside A3

>  <Target> (4,305)
Others

>  <Form> (4,305)
free base

>  <URL> (4,305)
http://www.selleckchem.com/products/rebaudioside-a.html

>  <CAS Number> (4,305)
58543-16-1

$$$$
S3797 Helicide.cdx
csChFnd80/10101813242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  2  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
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  1  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
    2.4249    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  1  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
    6.0622    3.5000    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
    1.2124    3.5000    0.0000 C   0  0  2  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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    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  1  6  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  1  1  0  0  0
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  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  6  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  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
M  END
>  <Mol_ID> (4,306)
4306

>  <Formula> (4,306)
C13H16O7

>  <MolWeight> (4,306)
284.26194

>  <Item Name> (4,306)
Helicide

>  <Catalog Number> (4,306)
S3797

>  <Synonyms> (4,306)
4-formylphenyl-O-¦Â-d-allopyranoside

>  <Target> (4,306)
Others

>  <Form> (4,306)
free base

>  <URL> (4,306)
http://www.selleckchem.com/products/helicide.html

>  <CAS Number> (4,306)
80154-34-3

$$$$
S3799 Gentisic acid.cdx
csChFnd80/10101813242D

 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> (4,307)
4307

>  <Formula> (4,307)
C7H6O4

>  <MolWeight> (4,307)
154.12014

>  <Item Name> (4,307)
Gentisic acid

>  <Catalog Number> (4,307)
S3799

>  <Synonyms> (4,307)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (4,307)
Immunology & Inflammation related

>  <Form> (4,307)
free base

>  <URL> (4,307)
http://www.selleckchem.com/products/gentisic-acid.html

>  <CAS Number> (4,307)
490-79-9

$$$$
S3920 7¦Â-Hydroxylathyrol.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.5544    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5544    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2229    3.9326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2229    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0738    1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4387    1.5386    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0461    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4387    4.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0738    4.3729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7903    5.2641    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
    3.4080    0.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8348    1.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2348    1.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5348    0.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4362    5.7252    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
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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free base

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34208-98-5

$$$$
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csChFnd80/10101813242D

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Lathyrol

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N/A

>  <Target> (4,309)
Others

>  <Form> (4,309)
free base

>  <URL> (4,309)
http://www.selleckchem.com/products/lathyrol.html

>  <CAS Number> (4,309)
34420-19-4

$$$$
S3931 Ginsenoside Rd.cdx
csChFnd80/10101813242D

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52705-93-8

$$$$
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 29 34  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
  3 37  1  6  0  0  0
  7 38  1  6  0  0  0
M  END
>  <Mol_ID> (4,311)
4311

>  <Formula> (4,311)
C23H28O13

>  <MolWeight> (4,311)
512.46062

>  <Item Name> (4,311)
Picroside II

>  <Catalog Number> (4,311)
S3765

>  <Synonyms> (4,311)
6-Vanilloylcatalpol, Vanilloyl catalpol

>  <Target> (4,311)
Immunology & Inflammation related

>  <Form> (4,311)
free base

>  <URL> (4,311)
http://www.selleckchem.com/products/picroside-ii.html

>  <CAS Number> (4,311)
39012-20-9

$$$$
S4754 Betulin.cdx
csChFnd80/10101813242D

 36 40  0  0  0  0  0  0  0  0999 V2000
    8.4282    6.1017    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2409    5.3920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6594    5.4113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7228    7.4919    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2602    3.9825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0340    6.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6594    4.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6971    6.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8033    4.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745    7.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250    8.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533    3.2728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    1.1489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4719    4.8369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1781    6.8691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8754    2.6694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879    0.3572    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
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  2  6  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
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  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  6  0  0  0
  6 15  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
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 27 29  1  0  0  0  0
 27 30  1  6  0  0  0
 27 31  1  1  0  0  0
 28 29  1  0  0  0  0
 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (4,312)
4312

>  <Formula> (4,312)
C30H50O2

>  <MolWeight> (4,312)
442.7168

>  <Item Name> (4,312)
Betulin

>  <Catalog Number> (4,312)
S4754

>  <Synonyms> (4,312)
betulinol, betuline, betulinic alcohol

>  <Target> (4,312)
Others

>  <Form> (4,312)
free base

>  <URL> (4,312)
http://www.selleckchem.com/products/betulin.html

>  <CAS Number> (4,312)
473-98-3

$$$$
S3925 (-)-Epicatechin gallate.cdx
csChFnd80/10101813242D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0625    2.8070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0625    4.1979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2716    2.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558    2.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558    4.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2716    4.8960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4928    2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2716    0.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    4.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2716    6.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7214    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4834    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792    6.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    6.9947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7214    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    2.8018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    2.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9166    0.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9068    6.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1161    6.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6928   10.4896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1168    9.0936    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  1  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
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
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 12 18  1  0  0  0  0
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 13 18  2  0  0  0  0
 14 20  2  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
 16 24  1  0  0  0  0
 18 25  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (4,313)
4313

>  <Formula> (4,313)
C22H18O10

>  <MolWeight> (4,313)
442.37232

>  <Item Name> (4,313)
(-)-Epicatechin gallate

>  <Catalog Number> (4,313)
S3925

>  <Synonyms> (4,313)
(-)-ECG, (-)-Epicatechin 3-gallate, (-)-Epicatechin-3-O-gallate

>  <Target> (4,313)
Others

>  <Form> (4,313)
free base

>  <URL> (4,313)
http://www.selleckchem.com/products/epicatechin-gallate.html

>  <CAS Number> (4,313)
1257-08-5

$$$$
S3926 Forsythin.cdx
csChFnd80/10101813242D

 40 44  0  0  0  0  0  0  0  0999 V2000
    8.2797    4.3286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3422    5.3682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5584    4.8989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5807    3.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    4.7978    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0413    6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7713    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4109    6.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2111    3.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    5.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9832    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    4.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9853    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1962    4.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0470    2.8055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   18.0459    4.2055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8317    6.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2600    2.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4047    6.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9863    0.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7744    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  1 37  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 38  1  6  0  0  0
  3  7  1  6  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  1  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
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 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
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 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 22  1  6  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  1  0  0  0
 29 32  1  0  0  0  0
 29 33  1  6  0  0  0
 30 34  1  6  0  0  0
 30 32  1  0  0  0  0
 32 35  1  1  0  0  0
 33 36  1  0  0  0  0
 15 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (4,314)
4314

>  <Formula> (4,314)
C27H34O11

>  <MolWeight> (4,314)
534.55226

>  <Item Name> (4,314)
Forsythin

>  <Catalog Number> (4,314)
S3926

>  <Synonyms> (4,314)
Phillyrin

>  <Target> (4,314)
Others

>  <Form> (4,314)
free base

>  <URL> (4,314)
http://www.selleckchem.com/products/forsythin.html

>  <CAS Number> (4,314)
487-41-2

$$$$
S3927 Swertiamarin.cdx
csChFnd80/10101813242D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.4764    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4764    3.4981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6327    3.4981    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2656    4.2009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6327    2.0929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4219    1.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0546    3.4981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4219    4.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,315)
4315

>  <Formula> (4,315)
C16H22O10

>  <MolWeight> (4,315)
374.33988

>  <Item Name> (4,315)
Swertiamarin

>  <Catalog Number> (4,315)
S3927

>  <Synonyms> (4,315)
Swertiamarin

>  <Target> (4,315)
Others

>  <Form> (4,315)
free base

>  <URL> (4,315)
http://www.selleckchem.com/products/swertiamarin.html

>  <CAS Number> (4,315)
17388-39-5

$$$$
S3928 Baccatin ¢ó.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,316)
4316

>  <Formula> (4,316)
C31H38O11

>  <MolWeight> (4,316)
586.62682

>  <Item Name> (4,316)
Baccatin ¢ó

>  <Catalog Number> (4,316)
S3928

>  <Synonyms> (4,316)
N/A

>  <Target> (4,316)
Others

>  <Form> (4,316)
free base

>  <URL> (4,316)
http://www.selleckchem.com/products/Baccatin-iii.html

>  <CAS Number> (4,316)
27548-93-2

$$$$
S3982 Batyl alcohol.cdx
csChFnd80/10101813242D

 24 23  0  0  0  0  0  0  0  0999 V2000
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,317)
4317

>  <Formula> (4,317)
C21H44O3

>  <MolWeight> (4,317)
344.57226

>  <Item Name> (4,317)
Batyl alcohol

>  <Catalog Number> (4,317)
S3982

>  <Synonyms> (4,317)
Batilol, Stearyl monoglyceride, 1-O-Octadecylglycerol, Batilolum

>  <Target> (4,317)
Immunology & Inflammation related

>  <Form> (4,317)
free base

>  <URL> (4,317)
http://www.selleckchem.com/products/batyl-alcohol.html

>  <CAS Number> (4,317)
544-62-7

$$$$
S3872 Guaiacol.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,318)
4318

>  <Formula> (4,318)
C7H8O2

>  <MolWeight> (4,318)
124.13722

>  <Item Name> (4,318)
Guaiacol

>  <Catalog Number> (4,318)
S3872

>  <Synonyms> (4,318)
o-methoxyphenol, 2-hydroxyanisole, O-methylcatechol

>  <Target> (4,318)
Others

>  <Form> (4,318)
free base

>  <URL> (4,318)
http://www.selleckchem.com/products/guaiacol.html

>  <CAS Number> (4,318)
90-05-1

$$$$
S3906 2,3,5,4-tetrahydroxyl diphenylethylene-2-o-glucoside.cdx
csChFnd80/10101813242D

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  1  7  1  1  0  0  0
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  5  9  1  1  0  0  0
  4 10  1  6  0  0  0
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  2 12  1  6  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 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> (4,319)
4319

>  <Formula> (4,319)
C20H22O9

>  <MolWeight> (4,319)
406.38328

>  <Item Name> (4,319)
Astragalus polyphenols

>  <Catalog Number> (4,319)
S3906

>  <Synonyms> (4,319)
N/A

>  <Target> (4,319)
Immunology & Inflammation related

>  <Form> (4,319)
free base

>  <URL> (4,319)
http://www.selleckchem.com/products/astragalus-polyphenols.html

>  <CAS Number> (4,319)
82373-94-2

$$$$
S3907 Bulleyaconi cine A.cdx
csChFnd80/10101813242D

 49 55  0  0  0  0  0  0  0  0999 V2000
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   10.8972    4.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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 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
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 38 41  1  0  0  0  0
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 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
>  <Mol_ID> (4,320)
4320

>  <Formula> (4,320)
C35H49NO9

>  <MolWeight> (4,320)
627.76486

>  <Item Name> (4,320)
Bulleyaconi cine A

>  <Catalog Number> (4,320)
S3907

>  <Synonyms> (4,320)
Bulleyaconitine A, Bulleyaconi cine A

>  <Target> (4,320)
Sodium channel

>  <Form> (4,320)
free base

>  <URL> (4,320)
http://www.selleckchem.com/products/bulleyaconi-cine-a.html

>  <CAS Number> (4,320)
107668-79-1

$$$$
S3908 4'-Demethylpodophyllotoxin.cdx
csChFnd80/10101813242D

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.8013    5.6099    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5874    6.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0338    6.3236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7754    4.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3519    5.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0338    7.7066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3627    5.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5622    3.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
 17 22  1  0  0  0  0
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M  END
>  <Mol_ID> (4,321)
4321

>  <Formula> (4,321)
C21H20O8

>  <MolWeight> (4,321)
400.3787

>  <Item Name> (4,321)
4'-Demethylpodophyllotoxin

>  <Catalog Number> (4,321)
S3908

>  <Synonyms> (4,321)
N/A

>  <Target> (4,321)
Others

>  <Form> (4,321)
free base

>  <URL> (4,321)
http://www.selleckchem.com/products/4-demethylpodophyllotoxin.html

>  <CAS Number> (4,321)
40505-27-9

$$$$
S3909 Catalpol.cdx
csChFnd80/10101813242D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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M  END
>  <Mol_ID> (4,322)
4322

>  <Formula> (4,322)
C15H22O10

>  <MolWeight> (4,322)
362.32918

>  <Item Name> (4,322)
Catalpol

>  <Catalog Number> (4,322)
S3909

>  <Synonyms> (4,322)
Catalpol, catalpinoside, Digitalis purpurea L

>  <Target> (4,322)
Others

>  <Form> (4,322)
free base

>  <URL> (4,322)
http://www.selleckchem.com/products/catalpol.html

>  <CAS Number> (4,322)
2415-24-9

$$$$
S3910 4',7-Dimethoxyisoflavone.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
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>  <Formula> (4,323)
C17H14O4

>  <MolWeight> (4,323)
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>  <Item Name> (4,323)
4',7-Dimethoxyisoflavone

>  <Catalog Number> (4,323)
S3910

>  <Synonyms> (4,323)
N/A

>  <Target> (4,323)
Others

>  <Form> (4,323)
free base

>  <URL> (4,323)
http://www.selleckchem.com/products/4-7-dimethoxyisoflavone.html

>  <CAS Number> (4,323)
1157-39-7

$$$$
S3922 (-)-epigallocatechin.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,324)
4324

>  <Formula> (4,324)
C15H14O7

>  <MolWeight> (4,324)
306.26746

>  <Item Name> (4,324)
(-)-epigallocatechin

>  <Catalog Number> (4,324)
S3922

>  <Synonyms> (4,324)
N/A

>  <Target> (4,324)
Others

>  <Form> (4,324)
free base

>  <URL> (4,324)
http://www.selleckchem.com/products/neg-rotation-epigallocatechin.html

>  <CAS Number> (4,324)
970-74-1

$$$$
S3923 Ginsenoside Rg1.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,325)
4325

>  <Formula> (4,325)
C42H72O14

>  <MolWeight> (4,325)
801.01268

>  <Item Name> (4,325)
Ginsenoside Rg1

>  <Catalog Number> (4,325)
S3923

>  <Synonyms> (4,325)
Ginsenoside A2, Panaxoside A, Panaxoside Rg1, Sanchinoside C1, Sanchinoside Rg1

>  <Target> (4,325)
Others

>  <Form> (4,325)
free base

>  <URL> (4,325)
http://www.selleckchem.com/products/ginsenoside-rg1.html

>  <CAS Number> (4,325)
22427-39-0

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,326)
4326

>  <Formula> (4,326)
C54H92O23

>  <MolWeight> (4,326)
1109.29448

>  <Item Name> (4,326)
Ginsenoside Rb1

>  <Catalog Number> (4,326)
S3924

>  <Synonyms> (4,326)
Gypenoside ¢ó

>  <Target> (4,326)
Others

>  <Form> (4,326)
free base

>  <URL> (4,326)
http://www.selleckchem.com/products/ginsenoside-rb1.html

>  <CAS Number> (4,326)
41753-43-9

$$$$
4'-Demethylepipodophyllotoxin.cdx
csChFnd80/10101813242D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,327)
4327

>  <Formula> (4,327)
C21H20O8

>  <MolWeight> (4,327)
400.3787

>  <Item Name> (4,327)
4'-Demethylepipodophyllotoxin

>  <Catalog Number> (4,327)
S2254

>  <Synonyms> (4,327)
DMEP

>  <Target> (4,327)
Microtubule Associated

>  <Form> (4,327)
free base

>  <URL> (4,327)
http://www.selleckchem.com/products/4-Demethylepipodophyllotoxin.html

>  <CAS Number> (4,327)
6559-91-7

$$$$
S3862 Gallic acid trimethyl ether.cdx
csChFnd80/10101813242D

 15 15  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
    4.8497    2.8000    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
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   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    4.9000    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
    0.0000    2.8000    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
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    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
  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
  6 11  1  0  0  0  0
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  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,328)
4328

>  <Formula> (4,328)
C10H12O5

>  <MolWeight> (4,328)
212.19928

>  <Item Name> (4,328)
Gallic acid trimethyl ether

>  <Catalog Number> (4,328)
S3862

>  <Synonyms> (4,328)
Eudesmic acid; Tri-O-methylgallic acid; Benzoic acid; 3,4,5-Trimethoxybenzoic acid

>  <Target> (4,328)
Others

>  <Form> (4,328)
free base

>  <URL> (4,328)
http://www.selleckchem.com/products/gallic-acid-trimethyl-ether.html

>  <CAS Number> (4,328)
118-41-2

$$$$
S3863 Methyl EudesMate.cdx
csChFnd80/10101813242D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2254    2.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4449    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    2.0912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    2.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4449    0.7021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4178    4.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,329)
4329

>  <Formula> (4,329)
C11H14O5

>  <MolWeight> (4,329)
226.22586

>  <Item Name> (4,329)
Methyl EudesMate

>  <Catalog Number> (4,329)
S3863

>  <Synonyms> (4,329)
3,4,5-Trimethoxybenzoic acid methyl ester; Trimethylgallic acid methyl ester

>  <Target> (4,329)
Others

>  <Form> (4,329)
free base

>  <URL> (4,329)
http://www.selleckchem.com/products/methyl-eudesMate.html

>  <CAS Number> (4,329)
1916-07-0

$$$$
S3864 Dulcitol.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0622    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,330)
4330

>  <Formula> (4,330)
C6H14O6

>  <MolWeight> (4,330)
182.17176

>  <Item Name> (4,330)
Dulcitol

>  <Catalog Number> (4,330)
S3864

>  <Synonyms> (4,330)
Galactitol, D-Galactitol, Dulcose

>  <Target> (4,330)
Others

>  <Form> (4,330)
free base

>  <URL> (4,330)
http://www.selleckchem.com/products/dulcitol.html

>  <CAS Number> (4,330)
608-66-2

$$$$
S3865 Taurochenodeoxycholic acid.cdx
csChFnd80/10101813242D

 39 42  0  0  0  0  0  0  0  0999 V2000
    7.0113    3.5343    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7919    2.8366    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.5829    3.5343    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7919    1.4261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2358    5.5853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7919    5.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9389    6.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4707    4.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3429    2.8366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5829    4.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5829    0.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2358    6.8098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3429    1.4261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1080    3.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635    4.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4482    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0234    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1080    0.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    2.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6607    6.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    1.4261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8731    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0855    6.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8731    8.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2980    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5104    6.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7228    7.5098    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.4228    6.2974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9353    8.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0228    8.7223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0784    2.2166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7970    4.2575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5776    2.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3429    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5928    5.9489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0096    0.7255    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 34  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 35  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 36  1  6  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  1  0  0  0
 13 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  6  0  0  0
 15 20  1  0  0  0  0
 15 37  1  1  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  6  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 26 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
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
  7 38  1  6  0  0  0
  6 39  1  6  0  0  0
M  END
>  <Mol_ID> (4,331)
4331

>  <Formula> (4,331)
C26H45NO6S

>  <MolWeight> (4,331)
499.7036

>  <Item Name> (4,331)
Taurochenodeoxycholic acid

>  <Catalog Number> (4,331)
S3865

>  <Synonyms> (4,331)
Taurochenodeoxycholate, TCDCA, 12-Deoxycholyltaurine, Chenodeoxycholyltaurine, Chenyltaurine

>  <Target> (4,331)
Others

>  <Form> (4,331)
free base

>  <URL> (4,331)
http://www.selleckchem.com/products/taurochenodeoxycholic-acid.html

>  <CAS Number> (4,331)
516-35-8

$$$$
S3866 Galanthamine.cdx
csChFnd80/10101813242D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.9209    2.7509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6020    2.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8272    1.3780    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1920    1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3779    3.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0925    0.6475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891    1.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7594    3.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6392    1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7380    3.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0228    5.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3545    2.0604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7722    5.7820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4295    2.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3429    0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6598    7.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6984    0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6017    5.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1961    3.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5583    4.1040    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  5  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  6  0  0  0
  4  9  2  0  0  0  0
  4  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 12  1  0  0  0  0
 21  8  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 12 19  1  1  0  0  0
 13 16  1  0  0  0  0
 13 20  1  0  0  0  0
 15 17  1  0  0  0  0
 21  1  1  0  0  0  0
  1 22  1  6  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,332)
4332

>  <Formula> (4,332)
C17H21NO3

>  <MolWeight> (4,332)
287.35354

>  <Item Name> (4,332)
Galanthamine

>  <Catalog Number> (4,332)
S3866

>  <Synonyms> (4,332)
Nivalin, Razadyne, Razadyne ER, Reminyl, Lycoremine

>  <Target> (4,332)
acetylcholinesterase

>  <Form> (4,332)
free base

>  <URL> (4,332)
http://www.selleckchem.com/products/galanthamine.html

>  <CAS Number> (4,332)
357-70-0

$$$$
S3868 Harmine.cdx
csChFnd80/10101813242D

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.3186    2.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9463    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0313    1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0112    3.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8022    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238    2.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0983    0.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4312    1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4198    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5527    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5494    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1355    2.4085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087    0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1357    0.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  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  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,333)
4333

>  <Formula> (4,333)
C13H12N2O

>  <MolWeight> (4,333)
212.24718

>  <Item Name> (4,333)
Harmine

>  <Catalog Number> (4,333)
S3868

>  <Synonyms> (4,333)
telepathine

>  <Target> (4,333)
PPAR¦Ã,MAO-A

>  <Form> (4,333)
free base

>  <URL> (4,333)
http://www.selleckchem.com/products/harmine.html

>  <CAS Number> (4,333)
442-51-3

$$$$
S3869 Methyl protocatechuate.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6226    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    2.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    2.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0450    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203    2.7972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2636    2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0064    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
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,334)
4334

>  <Formula> (4,334)
C8H8O4

>  <MolWeight> (4,334)
168.14672

>  <Item Name> (4,334)
Methyl protocatechuate

>  <Catalog Number> (4,334)
S3869

>  <Synonyms> (4,334)
Methyl 3,4-dihydroxybenzoate; 3,4-Dihydroxybenzoic acid methyl ester

>  <Target> (4,334)
Others

>  <Form> (4,334)
free base

>  <URL> (4,334)
http://www.selleckchem.com/products/methyl-protocatechuate.html

>  <CAS Number> (4,334)
2150-43-8

$$$$
S3870 D-Pinitol.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4229    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.7977    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6390    2.8002    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4229    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    4.1982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    2.0977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    4.1974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8514    2.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0019    4.8982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    4.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    6.2988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  1  0  0  0
  7 12  1  6  0  0  0
  7 10  1  0  0  0  0
 10 13  1  1  0  0  0
M  END
>  <Mol_ID> (4,335)
4335

>  <Formula> (4,335)
C7H14O6

>  <MolWeight> (4,335)
194.18246

>  <Item Name> (4,335)
D-Pinitol

>  <Catalog Number> (4,335)
S3870

>  <Synonyms> (4,335)
Methylinositol, Pinitol, 3-O-Methyl-D-chiro-inositol, D-(+)-Pinitol, Inzitol

>  <Target> (4,335)
Others

>  <Form> (4,335)
free base

>  <URL> (4,335)
http://www.selleckchem.com/products/d-pinitol.html

>  <CAS Number> (4,335)
10284-63-6

$$$$
S3849 D-Galactose.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.1000    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  1  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
    4.2000    2.4249    0.0000 C   0  0  3  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
    3.5000    1.2124    0.0000 C   0  0  2  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
    5.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    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  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  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  1  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  6  0  0  0
M  END
>  <Mol_ID> (4,336)
4336

>  <Formula> (4,336)
C6H12O6

>  <MolWeight> (4,336)
180.15588

>  <Item Name> (4,336)
D-Galactose

>  <Catalog Number> (4,336)
S3849

>  <Synonyms> (4,336)
D-Galactopyranose, D-(+)-Galactose

>  <Target> (4,336)
Others

>  <Form> (4,336)
free base

>  <URL> (4,336)
http://www.selleckchem.com/products/d-galactose.html

>  <CAS Number> (4,336)
59-23-4

$$$$
S3851 Camphor.cdx
csChFnd80/10101813242D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    1.6529    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7041    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    2.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    2.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    2.8641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3545    4.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    4.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7168    5.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2364    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,337)
4337

>  <Formula> (4,337)
C10H16O

>  <MolWeight> (4,337)
152.23344

>  <Item Name> (4,337)
Camphor

>  <Catalog Number> (4,337)
S3851

>  <Synonyms> (4,337)
2-Bornanone, Bornan-2-one, 2-Camphanone, Formosa

>  <Target> (4,337)
Others

>  <Form> (4,337)
free base

>  <URL> (4,337)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (4,337)
76-22-2

$$$$
S3854 Tetrahydropalmatine hydrochloride.cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.3062    4.2163    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5187    4.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3062    2.8314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873    4.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7374    4.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5187    6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873    2.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5187    2.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8688    4.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9561    4.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7374    2.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7374    6.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8688    2.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    4.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9561    6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7374    8.3711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6746    2.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    4.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750    6.9863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9315    9.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    2.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6929    0.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3876    6.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    2.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4455    0.5972    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  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 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,338)
4338

>  <Formula> (4,338)
C21H26ClNO4

>  <MolWeight> (4,338)
391.88844

>  <Item Name> (4,338)
Tetrahydropalmatine hydrochloride

>  <Catalog Number> (4,338)
S3854

>  <Synonyms> (4,338)
Gindarine hydrochloride, 1-Tetrahydropalmitine HCl

>  <Target> (4,338)
Others

>  <Form> (4,338)
hydrochloride

>  <URL> (4,338)
http://www.selleckchem.com/products/tetrahydropalmatine-hydrochloride.html

>  <CAS Number> (4,338)
6024-85-7

$$$$
S3855 Ethyl ferulate.cdx
csChFnd80/10101813242D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.6314    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    4.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    0.7008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2498    4.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4348    4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2498    6.3281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792    4.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8571    4.2509    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  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,339)
4339

>  <Formula> (4,339)
C12H14O4

>  <MolWeight> (4,339)
222.23716

>  <Item Name> (4,339)
Ethyl ferulate

>  <Catalog Number> (4,339)
S3855

>  <Synonyms> (4,339)
Ferulic acid ethyl ester, Ethyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (4,339)
Others

>  <Form> (4,339)
free base

>  <URL> (4,339)
http://www.selleckchem.com/products/ethyl-ferulate.html

>  <CAS Number> (4,339)
4046-02-0

$$$$
S3856 Allantoin.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6434    0.7015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9245    0.1443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.0015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8573    1.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1597    2.3948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7468    3.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2505    1.0592    0.0000 O   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
    1.2168    2.0975    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
  3  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
  5  6  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,340)
4340

>  <Formula> (4,340)
C4H6N4O3

>  <MolWeight> (4,340)
158.11544

>  <Item Name> (4,340)
Allantoin

>  <Catalog Number> (4,340)
S3856

>  <Synonyms> (4,340)
Glyoxyldiureide, 5-Ureidohydantoin

>  <Target> (4,340)
Others

>  <Form> (4,340)
free base

>  <URL> (4,340)
http://www.selleckchem.com/products/allantoin.html

>  <CAS Number> (4,340)
97-59-6

$$$$
S3857 4-Hydroxybenzyl alcohol.cdx
csChFnd80/10101813242D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2185    4.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    3.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    5.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171    2.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0088    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4660    6.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981    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
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,341)
4341

>  <Formula> (4,341)
C7H8O2

>  <MolWeight> (4,341)
124.13722

>  <Item Name> (4,341)
4-Hydroxybenzyl alcohol

>  <Catalog Number> (4,341)
S3857

>  <Synonyms> (4,341)
P-Methylolphenol, 4-Methylolphenol

>  <Target> (4,341)
Others

>  <Form> (4,341)
free base

>  <URL> (4,341)
http://www.selleckchem.com/products/4-hydroxybenzyl-alcohol.html

>  <CAS Number> (4,341)
623-05-2

$$$$
S3858 Lawsone.cdx
csChFnd80/10101813242D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    4.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    4.2025    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
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,342)
4342

>  <Formula> (4,342)
C10H6O3

>  <MolWeight> (4,342)
174.15284

>  <Item Name> (4,342)
Lawsone

>  <Catalog Number> (4,342)
S3858

>  <Synonyms> (4,342)
Hennotannic acid; 2-hydroxy-1,4-naphthoquinone

>  <Target> (4,342)
Others

>  <Form> (4,342)
free base

>  <URL> (4,342)
http://www.selleckchem.com/products/lawsone.html

>  <CAS Number> (4,342)
83-72-7

$$$$
S3859 Vanillyl Alcohol.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8493    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    4.2001    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  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  8  9  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,343)
4343

>  <Formula> (4,343)
C8H10O3

>  <MolWeight> (4,343)
154.1632

>  <Item Name> (4,343)
Vanillyl Alcohol

>  <Catalog Number> (4,343)
S3859

>  <Synonyms> (4,343)
4-Hydroxy-3-methoxybenzyl alcohol, Vanillin alcohol, Vanillic alcohol

>  <Target> (4,343)
Others

>  <Form> (4,343)
free base

>  <URL> (4,343)
http://www.selleckchem.com/products/vanillyl-alcohol.html

>  <CAS Number> (4,343)
498-00-0

$$$$
S3894 Cycloastragenol.cdx
csChFnd80/10101813242D

 38 43  0  0  0  0  0  0  0  0999 V2000
    1.2084    3.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    2.0995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4209    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    2.0995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6332    3.4995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4209    4.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    1.3995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0582    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0582    3.4995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8457    4.1995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2707    4.1995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2707    5.5995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0582    6.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    5.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6021    3.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250    4.8995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6021    6.0320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2357    6.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8805    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3406    2.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8202    4.8995    0.0000 O   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
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  2 19  1  1  0  0  0
  7 20  1  6  0  0  0
 11 21  1  6  0  0  0
 16 22  1  1  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
 10 25  1  1  0  0  0
  5 25  1  1  0  0  0
 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 28 29  1  0  0  0  0
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 30 26  1  0  0  0  0
 28 31  1  6  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
  4 35  1  6  0  0  0
  9 36  1  1  0  0  0
 17 37  1  6  0  0  0
 26 38  1  1  0  0  0
M  END
>  <Mol_ID> (4,344)
4344

>  <Formula> (4,344)
C30H50O5

>  <MolWeight> (4,344)
490.715

>  <Item Name> (4,344)
Cycloastragenol

>  <Catalog Number> (4,344)
S3894

>  <Synonyms> (4,344)
Cyclogalegigenin, Astramembrangenin

>  <Target> (4,344)
telomerase

>  <Form> (4,344)
free base

>  <URL> (4,344)
http://www.selleckchem.com/products/cycloastragenol.html

>  <CAS Number> (4,344)
84605-18-5

$$$$
S3895 Sophoridine.cdx
csChFnd80/10101813242D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.4421    2.1222    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6631    2.8239    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2211    2.8239    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6631    4.2239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8842    2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    4.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6631    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8842    4.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    6.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    6.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6631    7.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    7.0066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    3.3227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    1.6030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    1.5616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    5.4863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1 19  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  1  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  1  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
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M  END
>  <Mol_ID> (4,345)
4345

>  <Formula> (4,345)
C15H24N2O

>  <MolWeight> (4,345)
248.36386

>  <Item Name> (4,345)
Sophoridine

>  <Catalog Number> (4,345)
S3895

>  <Synonyms> (4,345)
5-Epidihydrosophocarpine, Dihydro-5-episophocarpine

>  <Target> (4,345)
Others

>  <Form> (4,345)
free base

>  <URL> (4,345)
http://www.selleckchem.com/products/sophoridine.html

>  <CAS Number> (4,345)
6882-68-4

$$$$
S3896 DACH-BOC.cdx
csChFnd80/10101813242D

 15 15  0  0  0  0  0  0  0  0999 V2000
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    3.6374    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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  2  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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.8000    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
    0.0001    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  3  2  1  6  0  0  0
  7  3  1  0  0  0  0
  9  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  1  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,346)
4346

>  <Formula> (4,346)
C11H22N2O2

>  <MolWeight> (4,346)
214.30458

>  <Item Name> (4,346)
(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine

>  <Catalog Number> (4,346)
S3896

>  <Synonyms> (4,346)
N/A

>  <Target> (4,346)
Others

>  <Form> (4,346)
free base

>  <URL> (4,346)
http://www.selleckchem.com/products/1r-2r-trans-n-boc-1-2-cyclohexanediamine.html

>  <CAS Number> (4,346)
146504-07-6

$$$$
S3897 (-)-Arctigenin.cdx
csChFnd80/10101813242D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.3586    2.1648    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9538    2.1536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1716    3.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8030    0.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1222    3.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320    0.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5637    3.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1366    0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7325    3.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3785    4.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500    1.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730    1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9011    4.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7736    4.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5453    1.7532    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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 14 18  1  0  0  0  0
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 17 21  1  0  0  0  0
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 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,347)
4347

>  <Formula> (4,347)
C21H24O6

>  <MolWeight> (4,347)
372.41166

>  <Item Name> (4,347)
(-)-Arctigenin

>  <Catalog Number> (4,347)
S3897

>  <Synonyms> (4,347)
N/A

>  <Target> (4,347)
Others

>  <Form> (4,347)
free base

>  <URL> (4,347)
http://www.selleckchem.com/products/neg-rotation-arctigenin.html

>  <CAS Number> (4,347)
7770-78-7

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/10101813242D

 27 31  0  0  0  0  0  0  0  0999 V2000
    9.4336    2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2459    4.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0378    1.7141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0787    3.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6639    5.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6272    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4145    1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6854    1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1416    0.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    4.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2868    5.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4702    6.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1172    4.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8840    4.0681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6574    4.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    6.1751    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
  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  6  0  0  0
  3  9  1  1  0  0  0
  4 10  2  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
  7 14  2  0  0  0  0
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  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
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M  END
>  <Mol_ID> (4,348)
4348

>  <Formula> (4,348)
C20H16N2O5

>  <MolWeight> (4,348)
364.35144

>  <Item Name> (4,348)
Hydroxy Camptothecine

>  <Catalog Number> (4,348)
S3898

>  <Synonyms> (4,348)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (4,348)
DNA topoisomerase I

>  <Form> (4,348)
free base

>  <URL> (4,348)
http://www.selleckchem.com/products/hydroxy-camptothecine.html

>  <CAS Number> (4,348)
64439-81-2

$$$$
S3899 Hederagenin.cdx
csChFnd80/10101813242D

 37 41  0  0  0  0  0  0  0  0999 V2000
    7.2610    5.0654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2610    6.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,349)
4349

>  <Formula> (4,349)
C30H48O4

>  <MolWeight> (4,349)
472.69972

>  <Item Name> (4,349)
Hederagenin

>  <Catalog Number> (4,349)
S3899

>  <Synonyms> (4,349)
Caulosapogenin, Hederagenol, Hederagenic acid, Astrantiagenin E

>  <Target> (4,349)
Others

>  <Form> (4,349)
free base

>  <URL> (4,349)
http://www.selleckchem.com/products/hederagenin.html

>  <CAS Number> (4,349)
465-99-6

$$$$
S3900 Betulonic acid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,350)
4350

>  <Formula> (4,350)
C30H46O3

>  <MolWeight> (4,350)
454.68444

>  <Item Name> (4,350)
Betulonic acid

>  <Catalog Number> (4,350)
S3900

>  <Synonyms> (4,350)
Liquidambaric acid

>  <Target> (4,350)
Others

>  <Form> (4,350)
free base

>  <URL> (4,350)
http://www.selleckchem.com/products/betulonic-acid.html

>  <CAS Number> (4,350)
4481-62-3

$$$$
S3902 Ursonic acid.cdx
csChFnd80/10101813242D

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    6.0606    3.4192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5210    6.2233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6364    3.4192    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7330    5.5359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8484    4.1248    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6364    2.0081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4242    1.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,351)
4351

>  <Formula> (4,351)
C30H46O3

>  <MolWeight> (4,351)
454.68444

>  <Item Name> (4,351)
Ursonic acid

>  <Catalog Number> (4,351)
S3902

>  <Synonyms> (4,351)
Prunol, Malol, beta-Ursolic acid, NSC4060, CCRIS 7123, TOS-BB-0966

>  <Target> (4,351)
Others

>  <Form> (4,351)
free base

>  <URL> (4,351)
http://www.selleckchem.com/products/ursonic-acid.html

>  <CAS Number> (4,351)
6246-46-4

$$$$
S3903 Lycorine.cdx
csChFnd80/10101813242D

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>  <Formula> (4,352)
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>  <Item Name> (4,352)
Lycorine

>  <Catalog Number> (4,352)
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>  <Synonyms> (4,352)
Galanthidine, Amarylline, Narcissine, Licorine, Belamarine

>  <Target> (4,352)
acetylcholinesterase 

>  <Form> (4,352)
free base

>  <URL> (4,352)
http://www.selleckchem.com/products/lycorine.html

>  <CAS Number> (4,352)
476-28-8

$$$$
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csChFnd80/10101813242D

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>  <Formula> (4,353)
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>  <MolWeight> (4,353)
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>  <Item Name> (4,353)
Isoimperatorin

>  <Catalog Number> (4,353)
S3904

>  <Synonyms> (4,353)
N/A

>  <Target> (4,353)
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>  <Form> (4,353)
free base

>  <URL> (4,353)
http://www.selleckchem.com/products/isoimperatorin.html

>  <CAS Number> (4,353)
482-45-1

$$$$
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csChFnd80/10101813242D

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4354

>  <Formula> (4,354)
C20H30O3

>  <MolWeight> (4,354)
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>  <Item Name> (4,354)
Iso-Steviol

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S3905

>  <Synonyms> (4,354)
N/A

>  <Target> (4,354)
Others

>  <Form> (4,354)
free base

>  <URL> (4,354)
http://www.selleckchem.com/products/iso-steviol.html

>  <CAS Number> (4,354)
27975-19-5

$$$$
S3876 Indigo.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,355)
4355

>  <Formula> (4,355)
C16H10N2O2

>  <MolWeight> (4,355)
262.2628

>  <Item Name> (4,355)
Indigo

>  <Catalog Number> (4,355)
S3876

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Indigotin

>  <Target> (4,355)
Others

>  <Form> (4,355)
free base

>  <URL> (4,355)
http://www.selleckchem.com/products/indigo.html

>  <CAS Number> (4,355)
482-89-3

$$$$
S4761 Thymoquinone.cdx
csChFnd80/10101813242D

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>  <Formula> (4,356)
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>  <Target> (4,356)
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>  <Form> (4,356)
free base

>  <URL> (4,356)
http://www.selleckchem.com/products/thymoquinone.html

>  <CAS Number> (4,356)
490-91-5

$$$$
S3816 Dehydroevodiamine.cdx
csChFnd80/10101813242D

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4357

>  <Formula> (4,357)
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>  <MolWeight> (4,357)
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>  <Item Name> (4,357)
Dehydroevodiamine

>  <Catalog Number> (4,357)
S3816

>  <Synonyms> (4,357)
DHED

>  <Target> (4,357)
Others

>  <Form> (4,357)
inner salt

>  <URL> (4,357)
http://www.selleckchem.com/products/dehydroevodiamine.html

>  <CAS Number> (4,357)
67909-49-3

$$$$
S3818 Tectoridin.cdx
csChFnd80/10101813242D

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 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (4,358)
4358

>  <Formula> (4,358)
C22H22O11

>  <MolWeight> (4,358)
462.40348

>  <Item Name> (4,358)
Tectoridin

>  <Catalog Number> (4,358)
S3818

>  <Synonyms> (4,358)
Shekanin

>  <Target> (4,358)
Others

>  <Form> (4,358)
free base

>  <URL> (4,358)
http://www.selleckchem.com/products/tectoridin.html

>  <CAS Number> (4,358)
611-40-5

$$$$
S4779 Menadiol Diacetate.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4206    5.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2108    3.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6274    7.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,359)
4359

>  <Formula> (4,359)
C15H14O4

>  <MolWeight> (4,359)
258.26926

>  <Item Name> (4,359)
Menadiol Diacetate

>  <Catalog Number> (4,359)
S4779

>  <Synonyms> (4,359)
Vitamin K4, Acetomenaphthone, Kapilin

>  <Target> (4,359)
Others

>  <Form> (4,359)
free base

>  <URL> (4,359)
http://www.selleckchem.com/products/menadiol-diacetate.html

>  <CAS Number> (4,359)
573-20-6

$$$$
S4780 7-Methoxy-4-methylcoumarin.cdx
csChFnd80/10101813242D

 14 15  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
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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 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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,360)
4360

>  <Formula> (4,360)
C11H10O3

>  <MolWeight> (4,360)
190.1953

>  <Item Name> (4,360)
7-Methoxy-4-methylcoumarin

>  <Catalog Number> (4,360)
S4780

>  <Synonyms> (4,360)
N/A

>  <Target> (4,360)
Others

>  <Form> (4,360)
free base

>  <URL> (4,360)
http://www.selleckchem.com/products/7-methoxy-4-methylcoumarin.html

>  <CAS Number> (4,360)
2555-28-4

$$$$
S4781 Xanthoxyline.cdx
csChFnd80/10101813242D

 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
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  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
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  5 10  1  0  0  0  0
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  6 12  2  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,361)
4361

>  <Formula> (4,361)
C10H12O4

>  <MolWeight> (4,361)
196.19988

>  <Item Name> (4,361)
Xanthoxyline

>  <Catalog Number> (4,361)
S4781

>  <Synonyms> (4,361)
Brevifolin

>  <Target> (4,361)
Others

>  <Form> (4,361)
free base

>  <URL> (4,361)
http://www.selleckchem.com/products/xanthoxyline.html

>  <CAS Number> (4,361)
90-24-4

$$$$
S4769 L-5-Hydroxytryptophan.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.1392    5.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7668    3.1499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7768    4.1398    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4064    3.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9691    2.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7879    1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9612    0.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    0.0000    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
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  7  8  1  0  0  0  0
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  1 14  2  0  0  0  0
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M  END
>  <Mol_ID> (4,362)
4362

>  <Formula> (4,362)
C11H12N2O3

>  <MolWeight> (4,362)
220.22458

>  <Item Name> (4,362)
L-5-Hydroxytryptophan

>  <Catalog Number> (4,362)
S4769

>  <Synonyms> (4,362)
L-oxitriptan

>  <Target> (4,362)
Others

>  <Form> (4,362)
free base

>  <URL> (4,362)
http://www.selleckchem.com/products/l-5-hydroxytryptophan.html

>  <CAS Number> (4,362)
4350-09-8

$$$$
S4771 ¦Â-thujaplicin.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.5490    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8377    2.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5490    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1472    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3336    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084    4.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8596    5.1448    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  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
  4  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  2  0  0  0  0
  9 12  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,363)
4363

>  <Formula> (4,363)
C10H12O2

>  <MolWeight> (4,363)
164.20108

>  <Item Name> (4,363)
¦Â-thujaplicin

>  <Catalog Number> (4,363)
S4771

>  <Synonyms> (4,363)
Hinokitiol, 4-Isopropyltropolone

>  <Target> (4,363)
Others

>  <Form> (4,363)
free base

>  <URL> (4,363)
http://www.selleckchem.com/products/beta-thujaplicin.html

>  <CAS Number> (4,363)
499-44-5

$$$$
S4772 alpha-Asarone.cdx
csChFnd80/10101813242D

 15 15  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
    4.8497    2.8000    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
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    6.0622    2.1000    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
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
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  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,364)
4364

>  <Formula> (4,364)
C12H16O3

>  <MolWeight> (4,364)
208.25364

>  <Item Name> (4,364)
alpha-Asarone

>  <Catalog Number> (4,364)
S4772

>  <Synonyms> (4,364)
trans-Asarone

>  <Target> (4,364)
Others

>  <Form> (4,364)
free base

>  <URL> (4,364)
http://www.selleckchem.com/products/alpha-asarone.html

>  <CAS Number> (4,364)
2883-98-9

$$$$
S4773 Adrenosterone.cdx
csChFnd80/10101813242D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.8506    2.8640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6417    2.1623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0783    2.1813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8200    4.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683    0.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    2.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6227    3.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2910    2.9402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0783    0.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0403    5.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6111    4.9651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8962    0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482    0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897    2.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2530    4.3396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6448    2.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5953    4.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4322    5.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4341    3.6571    0.0000 C   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
    9.0109    6.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8696    1.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0707    3.2566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3368    1.9715    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 23  1  6  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
  3 24  1  1  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 25  1  6  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  1  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,365)
4365

>  <Formula> (4,365)
C19H24O3

>  <MolWeight> (4,365)
300.39206

>  <Item Name> (4,365)
Adrenosterone

>  <Catalog Number> (4,365)
S4773

>  <Synonyms> (4,365)
Reichstein's substance G, 11-ketoandrostenedione, 11-oxoandrostenedione

>  <Target> (4,365)
Others

>  <Form> (4,365)
free base

>  <URL> (4,365)
http://www.selleckchem.com/products/adrenosterone.html

>  <CAS Number> (4,365)
382-45-6

$$$$
S4774 Xanthurenic Acid.cdx
csChFnd80/10101813242D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4446    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4316    3.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    1.3965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226    4.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8592    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0064    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    3.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577    5.5865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    1.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2824    2.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    0.0036    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
  4  8  2  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 13  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,366)
4366

>  <Formula> (4,366)
C10H7NO4

>  <MolWeight> (4,366)
205.16688

>  <Item Name> (4,366)
Xanthurenic Acid

>  <Catalog Number> (4,366)
S4774

>  <Synonyms> (4,366)
xanthurenate; 8-Hydroxykynurenic acid; 4,8-Dihydroxyquinaldic acid

>  <Target> (4,366)
mGlu2,mGlu3

>  <Form> (4,366)
free base

>  <URL> (4,366)
http://www.selleckchem.com/products/xanthurenic-acid.html

>  <CAS Number> (4,366)
59-00-7

$$$$
S4775 Cortodoxone.cdx
csChFnd80/10101813242D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.3181    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1062    2.1177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3181    4.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6509    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1201    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6509    4.6391    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0784    4.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4495    3.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    2.1177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8756    4.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    5.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0347    4.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    2.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    3.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5873    6.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3861    7.0444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4185    4.9456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    0.7152    0.0000 C   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
    4.8896    1.4186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1062    3.5177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3181    1.4186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3181    5.6165    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
  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  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  6  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
  5 25  1  6  0  0  0
  2 26  1  1  0  0  0
  1 27  1  6  0  0  0
  3 28  1  1  0  0  0
M  END
>  <Mol_ID> (4,367)
4367

>  <Formula> (4,367)
C21H30O4

>  <MolWeight> (4,367)
346.4605

>  <Item Name> (4,367)
Cortodoxone

>  <Catalog Number> (4,367)
S4775

>  <Synonyms> (4,367)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (4,367)
Glucocorticoid Receptor

>  <Form> (4,367)
free base

>  <URL> (4,367)
http://www.selleckchem.com/products/cortodoxone.html

>  <CAS Number> (4,367)
152-58-9

$$$$
S4776 Harmaline.cdx
csChFnd80/10101813242D

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.4943    2.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0943    2.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9327    1.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4266    3.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1530    3.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8037    0.7869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3034    1.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7972    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2993    1.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7849    3.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2356    2.3740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3581    2.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    2.0473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,368)
4368

>  <Formula> (4,368)
C13H14N2O

>  <MolWeight> (4,368)
214.26306

>  <Item Name> (4,368)
Harmaline

>  <Catalog Number> (4,368)
S4776

>  <Synonyms> (4,368)
Others

>  <Target> (4,368)
acetylcholinesterase

>  <Form> (4,368)
free base

>  <URL> (4,368)
http://www.selleckchem.com/products/harmaline.html

>  <CAS Number> (4,368)
304-21-2

$$$$
S4777 Plumbagin.cdx
csChFnd80/10101813242D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    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 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
    3.6373    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
    4.8497    3.5000    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
    0.0000    3.5000    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 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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,369)
4369

>  <Formula> (4,369)
C11H8O3

>  <MolWeight> (4,369)
188.17942

>  <Item Name> (4,369)
Plumbagin

>  <Catalog Number> (4,369)
S4777

>  <Synonyms> (4,369)
Plumbagine, Plumbaein, Plumbagone

>  <Target> (4,369)
Others

>  <Form> (4,369)
free base

>  <URL> (4,369)
http://www.selleckchem.com/products/plumbagin.html

>  <CAS Number> (4,369)
481-42-5

$$$$
S4778 o-Veratraldehyde.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4166    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2334    2.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6290    2.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060    2.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2334    4.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433    0.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0251    4.9024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4459    4.9047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,370)
4370

>  <Formula> (4,370)
C9H10O3

>  <MolWeight> (4,370)
166.1739

>  <Item Name> (4,370)
o-Veratraldehyde

>  <Catalog Number> (4,370)
S4778

>  <Synonyms> (4,370)
 2,3-Dimethoxybenzaldehyde

>  <Target> (4,370)
Others

>  <Form> (4,370)
free base

>  <URL> (4,370)
http://www.selleckchem.com/products/o-veratraldehyde.html

>  <CAS Number> (4,370)
86-51-1

$$$$
S3830 Protodioscin.cdx
csChFnd80/10101813242D

 78 86  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,371)
4371

>  <Formula> (4,371)
C51H84O22

>  <MolWeight> (4,371)
1049.19946

>  <Item Name> (4,371)
Protodioscin

>  <Catalog Number> (4,371)
S3830

>  <Synonyms> (4,371)
Furostanol I

>  <Target> (4,371)
Androgen Receptor

>  <Form> (4,371)
free base

>  <URL> (4,371)
http://www.selleckchem.com/products/protodioscin.html

>  <CAS Number> (4,371)
55056-80-9

$$$$
S4762 2,4-Dihydroxyacetophenone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,372)
4372

>  <Formula> (4,372)
C8H8O3

>  <MolWeight> (4,372)
152.14732

>  <Item Name> (4,372)
2,4-Dihydroxyacetophenone

>  <Catalog Number> (4,372)
S4762

>  <Synonyms> (4,372)
Resacetophenone, 4-Acetylresorcinol

>  <Target> (4,372)
Others

>  <Form> (4,372)
free base

>  <URL> (4,372)
http://www.selleckchem.com/products/2-4-dihydroxyacetophenone.html

>  <CAS Number> (4,372)
89-84-9

$$$$
S4763 4-Hydroxychalcone.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,373)
4373

>  <Formula> (4,373)
C15H12O2

>  <MolWeight> (4,373)
224.25458

>  <Item Name> (4,373)
4-Hydroxychalcone

>  <Catalog Number> (4,373)
S4763

>  <Synonyms> (4,373)
P-Cinnamoylphenol

>  <Target> (4,373)
Others

>  <Form> (4,373)
free base

>  <URL> (4,373)
http://www.selleckchem.com/products/4-hydroxychalcone.html

>  <CAS Number> (4,373)
20426-12-4

$$$$
S4764 Melezitose.cdx
csChFnd80/10101813242D

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A   35
xH2O
M  END
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4374

>  <Formula> (4,374)
C18H32O16R

>  <MolWeight> (4,374)
504.43708

>  <Item Name> (4,374)
Melezitose

>  <Catalog Number> (4,374)
S4764

>  <Synonyms> (4,374)
melicitose

>  <Target> (4,374)
Others

>  <Form> (4,374)
hydrate

>  <URL> (4,374)
http://www.selleckchem.com/products/melezitose.html

>  <CAS Number> (4,374)
207511-10-2

$$$$
S4765 Syringaldehyde.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,375)
4375

>  <Formula> (4,375)
C9H10O4

>  <MolWeight> (4,375)
182.1733

>  <Item Name> (4,375)
Syringaldehyde

>  <Catalog Number> (4,375)
S4765

>  <Synonyms> (4,375)
Syringic aldehyde

>  <Target> (4,375)
Others

>  <Form> (4,375)
free base

>  <URL> (4,375)
http://www.selleckchem.com/products/syringaldehyde.html

>  <CAS Number> (4,375)
134-96-3

$$$$
S4767 7-Hydroxy-3,4-dihydrocarbostyril.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,376)
4376

>  <Formula> (4,376)
C9H9NO2

>  <MolWeight> (4,376)
163.17326

>  <Item Name> (4,376)
7-Hydroxy-3,4-dihydrocarbostyril

>  <Catalog Number> (4,376)
S4767

>  <Synonyms> (4,376)
N/A

>  <Target> (4,376)
Others

>  <Form> (4,376)
free base

>  <URL> (4,376)
http://www.selleckchem.com/products/7-hydroxy-3-4-dihydrocarbostyril.html

>  <CAS Number> (4,376)
22246-18-0

$$$$
S4768 Melibiose.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,377)
4377

>  <Formula> (4,377)
C12H22O11

>  <MolWeight> (4,377)
342.29648

>  <Item Name> (4,377)
Melibiose

>  <Catalog Number> (4,377)
S4768

>  <Synonyms> (4,377)
Galalpha1-6Glcbeta

>  <Target> (4,377)
Others

>  <Form> (4,377)
free base

>  <URL> (4,377)
http://www.selleckchem.com/products/melibiose.html

>  <CAS Number> (4,377)
585-99-9

$$$$
S3949 N-Sulfo-glucosamine sodium salt.cdx
csChFnd80/10101813242D

 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
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    1.4000    3.7786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,378)
4378

>  <Formula> (4,378)
C6H12NNaO8S

>  <MolWeight> (4,378)
281.21615

>  <Item Name> (4,378)
N-Sulfo-glucosamine sodium salt

>  <Catalog Number> (4,378)
S3949

>  <Synonyms> (4,378)
N-sulfoglucosamine sodium salt, N-Sulfo-D-glucosamine sodium salt

>  <Target> (4,378)
Others

>  <Form> (4,378)
sodium salt

>  <URL> (4,378)
http://www.selleckchem.com/products/n-sulfo-glucosamine-sodium-salt.html

>  <CAS Number> (4,378)
38899-05-7

$$$$
S3950 Maltitol.cdx
csChFnd80/10101813242D

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    3.4956    4.8497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,379)
4379

>  <Formula> (4,379)
C12H24O11

>  <MolWeight> (4,379)
344.31236

>  <Item Name> (4,379)
Maltitol

>  <Catalog Number> (4,379)
S3950

>  <Synonyms> (4,379)
Maltisorb, 4-O-¦Á-glucopyranosyl-D-sorbitol

>  <Target> (4,379)
Others

>  <Form> (4,379)
free base

>  <URL> (4,379)
http://www.selleckchem.com/products/maltitol.html

>  <CAS Number> (4,379)
585-88-6

$$$$
S3951 Tannic acid.cdx
csChFnd80/10101813242D

122132  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,380)
4380

>  <Formula> (4,380)
C76H52O46

>  <MolWeight> (4,380)
1701.19848

>  <Item Name> (4,380)
Tannic acid

>  <Catalog Number> (4,380)
S3951

>  <Synonyms> (4,380)
Gallotannic acid

>  <Target> (4,380)
CXCR4 

>  <Form> (4,380)
free base

>  <URL> (4,380)
http://www.selleckchem.com/products/tannic-acid.html

>  <CAS Number> (4,380)
1401-55-4

$$$$
S3967 Flavone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,381)
4381

>  <Formula> (4,381)
C15H10O2

>  <MolWeight> (4,381)
222.2387

>  <Item Name> (4,381)
Flavone

>  <Catalog Number> (4,381)
S3967

>  <Synonyms> (4,381)
 2-Phenylchromone, 2-Phenyl-4-chromone, 2-Phenyl-4-benzopyron

>  <Target> (4,381)
Others

>  <Form> (4,381)
free base

>  <URL> (4,381)
http://www.selleckchem.com/products/flavone.html

>  <CAS Number> (4,381)
525-82-6

$$$$
S3975 Protocatechuic acid.cdx
csChFnd80/10101813242D

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  2  5  1  0  0  0  0
  3  6  2  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  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,382)
4382

>  <Formula> (4,382)
C7H6O4

>  <MolWeight> (4,382)
154.12014

>  <Item Name> (4,382)
Protocatechuic acid

>  <Catalog Number> (4,382)
S3975

>  <Synonyms> (4,382)
3,4-Dihydroxybenzoic acid, Protocatechuate

>  <Target> (4,382)
Others

>  <Form> (4,382)
free base

>  <URL> (4,382)
http://www.selleckchem.com/products/protocatechuic-acid.html

>  <CAS Number> (4,382)
99-50-3

$$$$
S3976 Acetylvanillin.cdx
csChFnd80/10101813242D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    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 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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 H   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
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,383)
4383

>  <Formula> (4,383)
C10H10O4

>  <MolWeight> (4,383)
194.184

>  <Item Name> (4,383)
Acetylvanillin
Acetylvanillin

>  <Catalog Number> (4,383)
S3976

>  <Synonyms> (4,383)
Acetovanillin, Vanillin acetate, 4-Acetoxy-3-methoxybenzaldehyde, 4-Formyl-2-methoxyphenyl acetate

>  <Target> (4,383)
Others

>  <Form> (4,383)
free base

>  <URL> (4,383)
http://www.selleckchem.com/products/acetylvanillin.html

>  <CAS Number> (4,383)
881-68-5

$$$$
S3977 (-)-Borneol.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7041    1.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    2.2429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7020    2.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    2.6063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3545    3.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    4.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7168    5.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    3.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960    3.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    0.0000    0.0000 H   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
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  6  0  0  0
  4 11  1  6  0  0  0
  2 12  1  1  0  0  0
M  END
>  <Mol_ID> (4,384)
4384

>  <Formula> (4,384)
C10H18O

>  <MolWeight> (4,384)
154.24932

>  <Item Name> (4,384)
(-)-Borneol

>  <Catalog Number> (4,384)
S3977

>  <Synonyms> (4,384)
L-Borneol

>  <Target> (4,384)
Others

>  <Form> (4,384)
free base

>  <URL> (4,384)
http://www.selleckchem.com/products/l-borneol.html

>  <CAS Number> (4,384)
464-45-9

$$$$
S3978 5-Phenyl-2,4-pentadienoic acid.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    2.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    0.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8465    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0456    2.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051    0.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2580    2.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4690    2.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814    1.9186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4690    4.0386    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
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  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
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,385)
4385

>  <Formula> (4,385)
C11H10O2

>  <MolWeight> (4,385)
174.1959

>  <Item Name> (4,385)
5-Phenyl-2,4-pentadienoic acid

>  <Catalog Number> (4,385)
S3978

>  <Synonyms> (4,385)
5-Phenylpenta-2,4-dienoic acid

>  <Target> (4,385)
Others

>  <Form> (4,385)
free base

>  <URL> (4,385)
http://www.selleckchem.com/products/5-phenyl-2-4-pentadienoic-acid.html

>  <CAS Number> (4,385)
1552-94-9

$$$$
S3980 Pyridoxine.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6436    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0317    2.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    4.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0505    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,386)
4386

>  <Formula> (4,386)
C8H11NO3

>  <MolWeight> (4,386)
169.17784

>  <Item Name> (4,386)
Pyridoxine

>  <Catalog Number> (4,386)
S3980

>  <Synonyms> (4,386)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (4,386)
Others

>  <Form> (4,386)
free base

>  <URL> (4,386)
http://www.selleckchem.com/products/pyridoxine.html

>  <CAS Number> (4,386)
65-23-6

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/10101813242D

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.3817    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    2.3481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7817    2.3481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7817    3.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    1.6481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    2.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    4.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4148    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6230    3.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8313    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    5.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2024    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2024    7.9359    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4106    8.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    7.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8271    8.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9817    2.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    2.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    0.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    3.7408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    4.4408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298    1.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    0.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7817    0.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8313    5.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0395    3.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9942    8.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9700    2.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6604    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385    0.2466    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  1  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
  8  4  1  0  0  0  0
  1  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
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
 12 31  2  0  0  0  0
 12 32  1  0  0  0  0
 16 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 28  2  0  0  0  0
M  END
>  <Mol_ID> (4,387)
4387

>  <Formula> (4,387)
C20H22N4O10S

>  <MolWeight> (4,387)
510.47448

>  <Item Name> (4,387)
Cefuroxime axetil

>  <Catalog Number> (4,387)
S4813

>  <Synonyms> (4,387)
N/A

>  <Target> (4,387)
Antifection

>  <Form> (4,387)
free base

>  <URL> (4,387)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (4,387)
64544-07-6

$$$$
S4843 Potassium acetate.cdx
csChFnd80/10101813242D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4000    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    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 K   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <Mol_ID> (4,388)
4388

>  <Formula> (4,388)
C2H3KO2

>  <MolWeight> (4,388)
98.14232

>  <Item Name> (4,388)
Potassium acetate

>  <Catalog Number> (4,388)
S4843

>  <Synonyms> (4,388)
Diuretic salt, Potassium ethanoate

>  <Target> (4,388)
Others

>  <Form> (4,388)
potassium salt

>  <URL> (4,388)
http://www.selleckchem.com/products/potassium-acetate.html

>  <CAS Number> (4,388)
127-08-2

$$$$
S4844 Cefcapene Pivoxil Hydrochloride.cdx
csChFnd80/10101813242D

 41 41  0  0  0  0  0  0  0  0999 V2000
    9.8469    3.9919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8469    5.3985    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0326    3.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3224    3.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3224    5.3985    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0326    6.1425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    3.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0326    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3871    3.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2176    6.2751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5073    3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2405    1.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8469    1.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625    5.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6633    4.0286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4703    1.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6987    6.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6633    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7224    1.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4837    5.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6987    7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5439    6.1939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8714    6.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9376    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689    4.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2611    6.0616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9803    8.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1823    1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9376    3.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1062    3.8298    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3331    5.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3826    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6003    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8837    6.6799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6352    0.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7052    1.6925    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9803    9.7223    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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 38  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 27  2  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  2  0  0  0  0
 27 32  1  0  0  0  0
 28 33  2  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
 30 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 37  1  0  0  0  0
 29 41  1  0  0  0  0
M  END
>  <Mol_ID> (4,389)
4389

>  <Formula> (4,389)
C23H32ClN5O9S2

>  <MolWeight> (4,389)
622.11128

>  <Item Name> (4,389)
Cefcapene Pivoxil Hydrochloride

>  <Catalog Number> (4,389)
S4844

>  <Synonyms> (4,389)
N/A

>  <Target> (4,389)
Others

>  <Form> (4,389)
hydrochloride, hydrate

>  <URL> (4,389)
http://www.selleckchem.com/products/cefcapene-pivoxil-hydrochloride.html

>  <CAS Number> (4,389)
147816-24-8

$$$$
S3985 Methyl 4-hydroxybenzoate.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6354    2.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362    0.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337    2.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8478    2.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174    2.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0632    2.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8478    4.1906    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
    7.2742    2.7915    0.0000 C   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  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
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,390)
4390

>  <Formula> (4,390)
C8H8O3

>  <MolWeight> (4,390)
152.14732

>  <Item Name> (4,390)
Methyl 4-hydroxybenzoate

>  <Catalog Number> (4,390)
S3985

>  <Synonyms> (4,390)
Methylparaben, Methyl paraben, Methyl p-hydroxybenzoate, Nipagin, Methyl parahydroxybenzoate

>  <Target> (4,390)
Others

>  <Form> (4,390)
free base

>  <URL> (4,390)
http://www.selleckchem.com/products/methyl-4-hydroxybenzoate.html

>  <CAS Number> (4,390)
99-76-3

$$$$
S3986 L(+)-Arabinose.cdx
csChFnd80/10101813242D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.5107    1.2154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1047    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2102    2.4456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4909    3.6567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0861    3.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2107    0.0030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4047    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6102    2.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  1  7  1  6  0  0  0
  5  2  1  0  0  0  0
  2  8  1  1  0  0  0
  4  3  1  0  0  0  0
  3  9  1  6  0  0  0
  6  4  1  0  0  0  0
  5 10  1  1  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (4,391)
4391

>  <Formula> (4,391)
C5H10O5

>  <MolWeight> (4,391)
150.1299

>  <Item Name> (4,391)
L(+)-Arabinose

>  <Catalog Number> (4,391)
S3986

>  <Synonyms> (4,391)
L(+)-Pectinose

>  <Target> (4,391)
Others

>  <Form> (4,391)
free base

>  <URL> (4,391)
http://www.selleckchem.com/products/l-arabinose.html

>  <CAS Number> (4,391)
87-72-9

$$$$
S3987 L-Tryptophan.cdx
csChFnd80/10101813242D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.7841    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1152    1.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2133    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3275    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1152    0.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7841    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5708    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8230    3.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5398    1.8313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7485    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5398    0.4337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9607    1.8313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7485    3.9335    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  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  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  1  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,392)
4392

>  <Formula> (4,392)
C11H12N2O2

>  <MolWeight> (4,392)
204.22518

>  <Item Name> (4,392)
L-Tryptophan

>  <Catalog Number> (4,392)
S3987

>  <Synonyms> (4,392)
N/A

>  <Target> (4,392)
Others

>  <Form> (4,392)
free base

>  <URL> (4,392)
http://www.selleckchem.com/products/l-tryptophan.html

>  <CAS Number> (4,392)
73-22-3

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6380    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686    3.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9733    1.6727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    5.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7672    5.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    1.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7062    4.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1971    6.8966    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  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
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,393)
4393

>  <Formula> (4,393)
C9H10N4O4

>  <MolWeight> (4,393)
238.2001

>  <Item Name> (4,393)
Theophylline-7-acetic acid

>  <Catalog Number> (4,393)
S3988

>  <Synonyms> (4,393)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (4,393)
adenosine receptor

>  <Form> (4,393)
free base

>  <URL> (4,393)
http://www.selleckchem.com/products/theophylline-7-acetic.html

>  <CAS Number> (4,393)
652-37-9

$$$$
S3990 Trans-Anethole.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6483    0.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8591    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4385    0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8446    2.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    0.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    0.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0672    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2769    2.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4895    2.1123    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
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,394)
4394

>  <Formula> (4,394)
C10H12O

>  <MolWeight> (4,394)
148.20168

>  <Item Name> (4,394)
Trans-Anethole

>  <Catalog Number> (4,394)
S3990

>  <Synonyms> (4,394)
4-Propenylanisole

>  <Target> (4,394)
Others

>  <Form> (4,394)
free base

>  <URL> (4,394)
http://www.selleckchem.com/products/trans-tnethole.html

>  <CAS Number> (4,394)
4180-23-8

$$$$
S3991 Ketoisophorone.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.5030    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2955    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7142    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030    5.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2955    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2058    4.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7142    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9453    4.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030    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  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,395)
4395

>  <Formula> (4,395)
C9H12O2

>  <MolWeight> (4,395)
152.19038

>  <Item Name> (4,395)
Ketoisophorone

>  <Catalog Number> (4,395)
S3991

>  <Synonyms> (4,395)
4-Oxoisophorone; 2,6,6-Trimethyl-2-cyclohexene-1,4-dione

>  <Target> (4,395)
Others

>  <Form> (4,395)
free base

>  <URL> (4,395)
http://www.selleckchem.com/products/ketoisophorone.html

>  <CAS Number> (4,395)
1125-21-9

$$$$
S3992 D-(+)-Trehalose dihydrate.cdx
csChFnd80/10101813242D

 25 24  0  0  0  0  0  0  0  0999 V2000
    8.1650    4.8521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8836    4.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3837    4.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1650    6.2929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6648    3.5308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5740    4.8976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3837    6.9820    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9520    7.0219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4462    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    2.1243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5740    6.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8153    4.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3837    8.3717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388    3.5308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4462    1.3897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8836    1.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8153    6.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8746    5.0856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388    2.1243    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0145    4.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4462    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0145    1.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722    3.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   12.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  6  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  6  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  1  1  0  0  0
  7 13  1  1  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  6  0  0  0
 11 17  1  6  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  1  0  0  0
 15 21  1  1  0  0  0
 15 19  1  0  0  0  0
 19 22  1  6  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,396)
4396

>  <Formula> (4,396)
C12H26O13

>  <MolWeight> (4,396)
378.32704

>  <Item Name> (4,396)
D-(+)-Trehalose dihydrate

>  <Catalog Number> (4,396)
S3992

>  <Synonyms> (4,396)
N/A

>  <Target> (4,396)
Others

>  <Form> (4,396)
dihydrate

>  <URL> (4,396)
http://www.selleckchem.com/products/d-trehalose-dihyd.html

>  <CAS Number> (4,396)
6138-23-4

$$$$
S3993 Ethyl Vanillate.cdx
csChFnd80/10101813242D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6372    4.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    4.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0631    4.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    6.3115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2223    2.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    0.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2733    4.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6438    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845    4.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,397)
4397

>  <Formula> (4,397)
C10H12O4

>  <MolWeight> (4,397)
196.19988

>  <Item Name> (4,397)
Ethyl Vanillate

>  <Catalog Number> (4,397)
S3993

>  <Synonyms> (4,397)
Bourbonal, Ethylprotal

>  <Target> (4,397)
Others

>  <Form> (4,397)
free base

>  <URL> (4,397)
http://www.selleckchem.com/products/ethylvanillate.html

>  <CAS Number> (4,397)
617-05-0

$$$$
S3994 Methyl Cholate.cdx
csChFnd80/10101813242D

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.0724    2.8136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2790    3.5126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8547    3.5126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0724    1.4039    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2790    4.9221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6154    3.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    2.8136    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8547    4.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    0.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2790    0.6992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6154    5.3394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0724    5.6044    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2790    6.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4160    4.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    1.4039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4302    3.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0722    6.6927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0724    7.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302    0.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4421    6.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417    7.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.4039    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8820    8.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2465    8.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1919    7.5571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6632    9.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5461    7.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0724    4.2229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2790    2.1312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    2.1031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 31  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 32  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 33  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  6  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  1  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  1  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 14  1  1  0  0  0
 12 19  1  6  0  0  0
 15 20  1  0  0  0  0
 15 34  1  1  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  6  0  0  0
 20 24  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (4,398)
4398

>  <Formula> (4,398)
C25H42O5

>  <MolWeight> (4,398)
422.59798

>  <Item Name> (4,398)
Methyl Cholate

>  <Catalog Number> (4,398)
S3994

>  <Synonyms> (4,398)
Cholic acid methyl ester

>  <Target> (4,398)
Others

>  <Form> (4,398)
free base

>  <URL> (4,398)
http://www.selleckchem.com/products/methyl-cholate.html

>  <CAS Number> (4,398)
1448-36-8

$$$$
S3995 Guaiazulene.cdx
csChFnd80/10101813242D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.2834    3.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7571    2.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6124    4.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    4.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4600    1.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3549    2.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7629    3.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091    5.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8563    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    1.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9739    3.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9739    5.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863    3.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  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  8  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,399)
4399

>  <Formula> (4,399)
C15H18

>  <MolWeight> (4,399)
198.30342

>  <Item Name> (4,399)
Guaiazulene

>  <Catalog Number> (4,399)
S3995

>  <Synonyms> (4,399)
azulon, Vetivazulen

>  <Target> (4,399)
Others

>  <Form> (4,399)
free base

>  <URL> (4,399)
http://www.selleckchem.com/products/guaiazulene.html

>  <CAS Number> (4,399)
489-84-9

$$$$
S3996 Thioctic acid.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.2085    1.6794    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9567    2.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0418    0.2839    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4206    2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6374    1.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8472    2.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0605    1.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2721    2.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4839    1.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2721    3.7742    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
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  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
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,400)
4400

>  <Formula> (4,400)
C8H14O2S2

>  <MolWeight> (4,400)
206.32556

>  <Item Name> (4,400)
Thioctic acid

>  <Catalog Number> (4,400)
S3996

>  <Synonyms> (4,400)
DL-¦Á-Lipoic Acid

>  <Target> (4,400)
Others

>  <Form> (4,400)
free base

>  <URL> (4,400)
http://www.selleckchem.com/products/thioctic-acid.html

>  <CAS Number> (4,400)
1077-28-7

$$$$
S3997 Oxaceprol.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.6218    2.9090    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4980    2.1016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2046    4.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9496    2.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774    2.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4894    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171    4.2467    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9939    3.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2261    1.0846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6937    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2686    0.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  6  0  0  0
M  END
>  <Mol_ID> (4,401)
4401

>  <Formula> (4,401)
C7H11NO4

>  <MolWeight> (4,401)
173.16654

>  <Item Name> (4,401)
Oxaceprol

>  <Catalog Number> (4,401)
S3997

>  <Synonyms> (4,401)
N-acetyl-L-hydroxyproline

>  <Target> (4,401)
Others

>  <Form> (4,401)
free base

>  <URL> (4,401)
http://www.selleckchem.com/products/oxaceprol.html

>  <CAS Number> (4,401)
33996-33-7

$$$$
S3998 Lipoic acid.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    1.5306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.0999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0694    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2777    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0653    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2777    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4902    2.0999    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
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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M  END
>  <Mol_ID> (4,402)
4402

>  <Formula> (4,402)
C8H14O2S2

>  <MolWeight> (4,402)
206.32556

>  <Item Name> (4,402)
(+)-¦Á-Lipoic acid

>  <Catalog Number> (4,402)
S3998

>  <Synonyms> (4,402)
(R)-(+)-¦Á-Lipoic acid, ¦Á-Lipoic acid, Alpha-Lipoic acid

>  <Target> (4,402)
Others

>  <Form> (4,402)
free base

>  <URL> (4,402)
http://www.selleckchem.com/products/alpha-lipoic-acid.html

>  <CAS Number> (4,402)
1200-22-2

$$$$
S3999 ¦Á-santonin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,403)
4403

>  <Formula> (4,403)
C15H18O3

>  <MolWeight> (4,403)
246.30162

>  <Item Name> (4,403)
¦Á-santonin

>  <Catalog Number> (4,403)
S3999

>  <Synonyms> (4,403)
N/A

>  <Target> (4,403)
Others

>  <Form> (4,403)
free base

>  <URL> (4,403)
http://www.selleckchem.com/products/alpha-santonin.html

>  <CAS Number> (4,403)
481-06-1

$$$$
S4812 Ceftizoxime.cdx
csChFnd80/10101813242D

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 15  4  1  0  0  0  0
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M  END
>  <Mol_ID> (4,404)
4404

>  <Formula> (4,404)
C13H13N5O5S2

>  <MolWeight> (4,404)
383.40282

>  <Item Name> (4,404)
Ceftizoxime

>  <Catalog Number> (4,404)
S4812

>  <Synonyms> (4,404)
N/A

>  <Target> (4,404)
Others

>  <Form> (4,404)
free base

>  <URL> (4,404)
http://www.selleckchem.com/products/ceftizoxime.html

>  <CAS Number> (4,404)
68401-81-0

$$$$
S4817 Atenolol.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,405)
4405

>  <Formula> (4,405)
C14H22N2O3

>  <MolWeight> (4,405)
266.33608

>  <Item Name> (4,405)
Atenolol

>  <Catalog Number> (4,405)
S4817

>  <Synonyms> (4,405)
Tenormin, Normiten, Blokium

>  <Target> (4,405)
¦Â1 receptor,¦Â2 receptor

>  <Form> (4,405)
free base

>  <URL> (4,405)
http://www.selleckchem.com/products/atenolol.html

>  <CAS Number> (4,405)
29122-68-7

$$$$
S4838 Acotiamide hydrochloride.cdx
csChFnd80/10101813242D

 35 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,406)
4406

>  <Formula> (4,406)
C21H37ClN4O8S

>  <MolWeight> (4,406)
541.05848

>  <Item Name> (4,406)
Acotiamide hydrochloride

>  <Catalog Number> (4,406)
S4838

>  <Synonyms> (4,406)
YM-443 HCl, Z-338 HCl

>  <Target> (4,406)
acetylcholinesterase

>  <Form> (4,406)
hydrochloride trihydrate

>  <URL> (4,406)
http://www.selleckchem.com/products/acotiamide-hydrochloride.html

>  <CAS Number> (4,406)
773092-05-0

$$$$
S4854 Bedaquiline fumarate.cdx
csChFnd80/10101813242D

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C36H35BrN2O6

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Bedaquiline fumarate

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TMC-207

>  <Target> (4,407)
Antifection

>  <Form> (4,407)
fumarate

>  <URL> (4,407)
http://www.selleckchem.com/products/bedaquiline-fumarate.html

>  <CAS Number> (4,407)
845533-86-0

$$$$
S4927 Cyclen.cdx
csChFnd80/10101813242D

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>  <Formula> (4,408)
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Cyclen

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S4927

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1,4,7,10-tetraazacyclododecane

>  <Target> (4,408)
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free base

>  <URL> (4,408)
http://www.selleckchem.com/products/cyclen.html

>  <CAS Number> (4,408)
294-90-6

$$$$
S4928 Brivaracetam.cdx
csChFnd80/10101813242D

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free base

>  <URL> (4,409)
http://www.selleckchem.com/products/brivaracetam.html

>  <CAS Number> (4,409)
357336-20-0

$$$$
S4935 Asunaprevir.cdx
csChFnd80/10101813242D

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>  <Formula> (4,410)
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>  <MolWeight> (4,410)
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>  <Catalog Number> (4,410)
S4935

>  <Synonyms> (4,410)
BMS-650032

>  <Target> (4,410)
hepatitis C virus enzyme serine protease NS

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free base

>  <URL> (4,410)
http://www.selleckchem.com/products/asunaprevir.html

>  <CAS Number> (4,410)
630420-16-5

$$$$
S3879 kaempferide.cdx
csChFnd80/10101813242D

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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,411)
4411

>  <Formula> (4,411)
C16H12O6

>  <MolWeight> (4,411)
300.26288

>  <Item Name> (4,411)
kaempferide

>  <Catalog Number> (4,411)
S3879

>  <Synonyms> (4,411)
4'-Methylkaempferol, 4'-O-Methylkaempferol, Kaempferol 4'-methyl ether

>  <Target> (4,411)
Others

>  <Form> (4,411)
free base

>  <URL> (4,411)
http://selleckchem.com/products/kaempferide.html

>  <CAS Number> (4,411)
491-54-3
491-54-3

$$$$
S3074 Chlortalidone.cdx
csChFnd80/10101813242D

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    3.7581    3.5690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  8 13  2  0  0  0  0
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 14 17  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,412)
4412

>  <Formula> (4,412)
C14H11ClN2O4S

>  <MolWeight> (4,412)
338.76614

>  <Item Name> (4,412)
Chlorthalidone

>  <Catalog Number> (4,412)
S3074

>  <Synonyms> (4,412)
Chlortalidone

>  <Target> (4,412)
Others

>  <Form> (4,412)
free base

>  <URL> (4,412)
http://selleckchem.com/products/chlorthalidone-chlortalidone.html

>  <CAS Number> (4,412)
77-36-1

$$$$
S3843 Madecassoside.cdx
csChFnd80/10101813242D

 71 78  0  0  0  0  0  0  0  0999 V2000
    9.6787   16.8703    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4117   17.5500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6787   15.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8378   17.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4117   14.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7302   14.7120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1359   16.6590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,413)
4413

>  <Formula> (4,413)
C48H78O20

>  <MolWeight> (4,413)
975.12092

>  <Item Name> (4,413)
Madecassoside

>  <Catalog Number> (4,413)
S3843

>  <Synonyms> (4,413)
Asiaticoside A

>  <Target> (4,413)
Others

>  <Form> (4,413)
free base
free base
free b

>  <URL> (4,413)
http://selleckchem.com/products/madecassoside.html

>  <CAS Number> (4,413)
34540-22-2

$$$$
S4867 Propacetamol hydrochloride.cdx
csChFnd80/10101813242D

 20 19  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,414)
4414

>  <Formula> (4,414)
C14H21ClN2O3

>  <MolWeight> (4,414)
300.78114

>  <Item Name> (4,414)
Propacetamol hydrochloride

>  <Catalog Number> (4,414)
S4867

>  <Synonyms> (4,414)
N/A

>  <Target> (4,414)
Others

>  <Form> (4,414)
hydrochloride 

>  <URL> (4,414)
http://selleckchem.com/products/propacetamol-hydrochloride.html

>  <CAS Number> (4,414)
66532-86-3

$$$$
S4896 Elagolix Sodium.cdx
csChFnd80/10101813242D

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 40 28  1  0  0  0  0
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 42 45  1  0  0  0  0
M  END
>  <Mol_ID> (4,415)
4415

>  <Formula> (4,415)
C32H29F5N3NaO5

>  <MolWeight> (4,415)
653.571546

>  <Item Name> (4,415)
Elagolix Sodium

>  <Catalog Number> (4,415)
S4896

>  <Synonyms> (4,415)
NBI-56418, ABT-620

>  <Target> (4,415)
Estrogen/progestogen Receptor

>  <URL> (4,415)
http://selleckchem.com/products/elagolix-sodium.html

>  <CAS Number> (4,415)
832720-36-2

$$$$
S3776 Sophoricoside.cdx
csChFnd80/10101813242D

 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
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 22 24  1  0  0  0  0
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 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (4,416)
4416

>  <Formula> (4,416)
C21H20O10

>  <MolWeight> (4,416)
432.3775

>  <Item Name> (4,416)
Sophoricoside

>  <Catalog Number> (4,416)
S3776

>  <Synonyms> (4,416)
N/A

>  <Target> (4,416)
Immunology & Inflammation related

>  <URL> (4,416)
http://selleckchem.com/products/sophoricoside.html

>  <CAS Number> (4,416)
152-95-4

$$$$
S4834 Propantheline bromide.cdx
csChFnd80/10101813242D

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.6285    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6285    4.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8353    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1515    7.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (4,417)
4417

>  <Formula> (4,417)
C23H30BrNO3

>  <MolWeight> (4,417)
448.3932

>  <Item Name> (4,417)
Propantheline bromide

>  <Catalog Number> (4,417)
S4834

>  <Synonyms> (4,417)
Pro-Banthine, Neometantyl, Neopepulsan

>  <Target> (4,417)
AChR

>  <Form> (4,417)
bromide 

>  <URL> (4,417)
http://selleckchem.com/products/propantheline-bromide.html

>  <CAS Number> (4,417)
50-34-0

$$$$
S4877 Eperisone hydrochloride.cdx
csChFnd80/10101813242D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.8592    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0655    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8592    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,418)
4418

>  <Formula> (4,418)
C17H26ClNO

>  <MolWeight> (4,418)
295.84744

>  <Item Name> (4,418)
Eperisone hydrochloride

>  <Catalog Number> (4,418)
S4877

>  <Synonyms> (4,418)
N/A

>  <Target> (4,418)
Others

>  <Form> (4,418)
hydrochloride 

>  <URL> (4,418)
http://selleckchem.com/products/eperisone-hydrochloride.html

>  <CAS Number> (4,418)
56839-43-1

$$$$
S4878 Neticonazole Hydrochloride.cdx
csChFnd80/10101813242D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,419)
4419

>  <Formula> (4,419)
C17H23ClN2OS

>  <MolWeight> (4,419)
338.89532

>  <Item Name> (4,419)
Neticonazole Hydrochloride

>  <Catalog Number> (4,419)
S4878

>  <Synonyms> (4,419)
N/A

>  <Target> (4,419)
Anti-infection

>  <Form> (4,419)
hydrochloride 

>  <URL> (4,419)
http://selleckchem.com/products/neticonazole-hydrochloride.html

>  <CAS Number> (4,419)
130773-02-3

$$$$
S4836 Nilutamide.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,420)
4420

>  <Formula> (4,420)
C12H10F3N3O4

>  <MolWeight> (4,420)
317.2207096

>  <Item Name> (4,420)
Nilutamide

>  <Catalog Number> (4,420)
S4836

>  <Synonyms> (4,420)
RU23908

>  <Target> (4,420)
Androgen Receptor

>  <URL> (4,420)
http://selleckchem.com/products/nilutamide.html

>  <CAS Number> (4,420)
63612-50-0

$$$$
S4837 Ibudilast.cdx
csChFnd80/10101813242D

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>  <Mol_ID> (4,421)
4421

>  <Formula> (4,421)
C14H18N2O

>  <MolWeight> (4,421)
230.30552

>  <Item Name> (4,421)
Ibudilast

>  <Catalog Number> (4,421)
S4837

>  <Synonyms> (4,421)
KC-404, AV411, MN166

>  <Target> (4,421)
PDE

>  <Form> (4,421)
free base

>  <URL> (4,421)
http://selleckchem.com/products/Ibudilast.html

>  <CAS Number> (4,421)
50847-11-5

$$$$
S4848 Dalbavancin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,422)
4422

>  <Formula> (4,422)
C88H100Cl2N10O28

>  <MolWeight> (4,422)
1816.6918

>  <Item Name> (4,422)
Dalbavancin

>  <Catalog Number> (4,422)
S4848

>  <Synonyms> (4,422)
zeven

>  <Target> (4,422)
Anti-infection

>  <Form> (4,422)
free base

>  <URL> (4,422)
http://selleckchem.com/products/dalbavancin.html

>  <CAS Number> (4,422)
171500-79-1

$$$$
S4852 Gadopentetate Dimeglumine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,423)
4423

>  <Formula> (4,423)
C28H54GdN5O20

>  <MolWeight> (4,423)
937.99986

>  <Item Name> (4,423)
Gadopentetate Dimeglumine

>  <Catalog Number> (4,423)
S4852

>  <Synonyms> (4,423)
Gadopentetic acid dimeglumine, Gd-DTPA, Meglumine gadopentetate

>  <Target> (4,423)
Others

>  <Form> (4,423)
dimeglumine salt

>  <URL> (4,423)
http://selleckchem.com/products/gadopentetate-dimeglumine.html

>  <CAS Number> (4,423)
86050-77-3

$$$$
S4856 Iproniazid.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,424)
4424

>  <Formula> (4,424)
C9H13N3O

>  <MolWeight> (4,424)
179.21902

>  <Item Name> (4,424)
Iproniazid

>  <Catalog Number> (4,424)
S4856

>  <Synonyms> (4,424)
Marsilid, Iprazid

>  <Target> (4,424)
MAO

>  <Form> (4,424)
free base

>  <URL> (4,424)
http://selleckchem.com/products/Iproniazid.html

>  <CAS Number> (4,424)
54-92-2

$$$$
S4931 Propiverine hydrochloride.cdx
csChFnd80/10101813242D

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    2.4397    3.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726    1.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5099    1.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    3.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4517    1.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    1.8658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5481    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  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,425)
4425

>  <Formula> (4,425)
C23H30ClNO3

>  <MolWeight> (4,425)
403.9422

>  <Item Name> (4,425)
Propiverine hydrochloride

>  <Catalog Number> (4,425)
S4931

>  <Synonyms> (4,425)
N/A

>  <Target> (4,425)
Others

>  <URL> (4,425)
http://selleckchem.com/products/propiverine-hydrochloride.html

>  <CAS Number> (4,425)
54556-98-8

$$$$
S4932 Proxyphylline.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6401    3.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    3.9565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455    1.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910    1.6915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7905    2.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3608    5.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    5.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    2.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7265    5.6013    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    1.3825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7164    4.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0888    6.9536    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  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
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,426)
4426

>  <Formula> (4,426)
C10H14N4O3

>  <MolWeight> (4,426)
238.24316

>  <Item Name> (4,426)
Proxyphylline

>  <Catalog Number> (4,426)
S4932

>  <Synonyms> (4,426)
Monophylline, Spasmolysin

>  <Target> (4,426)
Adenosine Receptor

>  <Form> (4,426)
free base

>  <URL> (4,426)
http://selleckchem.com/products/proxyphylline.html

>  <CAS Number> (4,426)
603-00-9

$$$$
S4849 Levocetirizine Dihydrochloride.cdx
csChFnd80/10101813242D

 29 29  0  0  0  0  0  0  0  0999 V2000
   22.1836    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9712    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1836    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3960    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7587    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5463    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3339    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1214    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1214    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9090    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6966    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6966    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9090    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4841    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4841    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6966    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6966    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4841    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0593    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0593    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6344    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   28.1035    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   28.1035    0.0000 Cl  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
  6  7  1  0  0  0  0
  5  6  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
  8 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 15  1  6  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
 14 11  1  0  0  0  0
  7  8  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (4,427)
4427

>  <Formula> (4,427)
C21H27Cl3N2O3

>  <MolWeight> (4,427)
461.80968

>  <Item Name> (4,427)
Levocetirizine Dihydrochloride

>  <Catalog Number> (4,427)
S4849

>  <Synonyms> (4,427)
Xyzal Dihydrochloride, (-)-Cetirizine Dihydrochloride

>  <Target> (4,427)
Histamine Receptor

>  <Form> (4,427)
dihydrochloride 

>  <URL> (4,427)
http://selleckchem.com/products/levocetirizine-dihydrochloride.html

>  <CAS Number> (4,427)
130018-87-0

$$$$
S4858 Tryptophol.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4383    2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    2.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7602    0.2721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5770    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1790    3.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0017    0.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5471    4.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9735    5.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,428)
4428

>  <Formula> (4,428)
C10H11NO

>  <MolWeight> (4,428)
161.20044

>  <Item Name> (4,428)
Tryptophol

>  <Catalog Number> (4,428)
S4858

>  <Synonyms> (4,428)
Indole-3-ethanol

>  <Target> (4,428)
Others

>  <URL> (4,428)
http://selleckchem.com/products/tryptophol.html

>  <CAS Number> (4,428)
526-55-6

$$$$
S4859 TriacetonaMine.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.5912    0.6156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1823    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    4.8156    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
  2  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
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,429)
4429

>  <Formula> (4,429)
C9H17NO

>  <MolWeight> (4,429)
155.23738

>  <Item Name> (4,429)
TriacetonaMine

>  <Catalog Number> (4,429)
S4859

>  <Synonyms> (4,429)
2,2,6,6-Tetramethyl-4-piperidinone; tempidon; tmpone; Odoratine; Vincubine

>  <Target> (4,429)
Others

>  <Form> (4,429)
free base

>  <URL> (4,429)
http://selleckchem.com/products/triacetonamine.html

>  <CAS Number> (4,429)
826-36-8

$$$$
S4863 4-Hydroxyphenylacetic acid.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6234    2.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6513    0.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4317    2.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8358    2.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    2.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0458    2.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2595    2.7839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0458    0.6846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0005    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
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  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
M  END
>  <Mol_ID> (4,430)
4430

>  <Formula> (4,430)
C8H8O3

>  <MolWeight> (4,430)
152.14732

>  <Item Name> (4,430)
4-Hydroxyphenylacetic acid

>  <Catalog Number> (4,430)
S4863

>  <Synonyms> (4,430)
p-Hydroxyphenylacetic acid, parahydroxy phenylacetate

>  <Target> (4,430)
Others

>  <Form> (4,430)
free base

>  <URL> (4,430)
http://selleckchem.com/products/4-hydroxyphenylacetic-acid.html

>  <CAS Number> (4,430)
156-38-7

$$$$
S4864 2-Furoic acid.cdx
csChFnd80/10101813242D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.1625    1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3302    2.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3400    0.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2604    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060    0.4973    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
  7  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,431)
4431

>  <Formula> (4,431)
C5H4O3

>  <MolWeight> (4,431)
112.08346

>  <Item Name> (4,431)
2-Furoic acid

>  <Catalog Number> (4,431)
S4864

>  <Synonyms> (4,431)
2-Furancarboxylic acid, Pyromucic acid, 2-Carboxyfuran, ¦Á-furancarboxylic acid, ¦Á-furoic acid

>  <Target> (4,431)
Others

>  <Form> (4,431)
free base

>  <URL> (4,431)
http://selleckchem.com/products/2-furoic-acid.html

>  <CAS Number> (4,431)
88-14-2

$$$$
S4868 Xanthinol Nicotinate.cdx
csChFnd80/10101813242D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6398    3.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6449    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9697    3.9418    0.0000 N   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
    4.9780    1.6766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4350    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7967    2.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3975    5.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    3.4956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7658    5.5709    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0102    1.3912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8317    8.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1826    9.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5401   10.3663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6655    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9655    1.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9655    3.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0655    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    1.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    3.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7655    1.2975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7655    3.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8655    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 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
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 31  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (4,432)
4432

>  <Formula> (4,432)
C19H26N6O6

>  <MolWeight> (4,432)
434.44634

>  <Item Name> (4,432)
Xanthinol Nicotinate

>  <Catalog Number> (4,432)
S4868

>  <Synonyms> (4,432)
Complamin, Angioamin

>  <Target> (4,432)
Others

>  <URL> (4,432)
http://selleckchem.com/products/xanthinol-nicotinate.html

>  <CAS Number> (4,432)
437-74-1

$$$$
S4876 Robenidine Hydrochoride.cdx
csChFnd80/10101813242D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.6176    3.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    4.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790    2.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8420    2.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790    5.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1894    3.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    3.1173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1894    4.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2559    2.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1885    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4735    3.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7189    2.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4735    4.5518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9712    3.1173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1888    2.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4342    3.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4342    4.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6587    2.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6236    5.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8831    3.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8831    4.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0657    5.2236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2538    0.0000    0.0000 Cl  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  2  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
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  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  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,433)
4433

>  <Formula> (4,433)
C15H14Cl3N5

>  <MolWeight> (4,433)
370.66416

>  <Item Name> (4,433)
Robenidine Hydrochoride

>  <Catalog Number> (4,433)
S4876

>  <Synonyms> (4,433)
Dexium, Nugatex, Rasexinium, Toraxine

>  <Target> (4,433)
Anti-infection

>  <Form> (4,433)
hydrochloride 

>  <URL> (4,433)
http://selleckchem.com/products/robenidine-hydrochoride.html

>  <CAS Number> (4,433)
25875-50-7

$$$$
S4881 Calcium Dobesilate.cdx
csChFnd80/10101813242D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4299    4.2391    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    2.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312    4.2391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    5.6391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8312    4.2391    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6354    2.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    2.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9807    4.3344    0.0000 R   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  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
A   13
?0.5Ca2+?
M  END
>  <Mol_ID> (4,434)
4434

>  <Formula> (4,434)
C6H5O5RS-

>  <MolWeight> (4,434)
189.1659

>  <Item Name> (4,434)
Calcium Dobesilate

>  <Catalog Number> (4,434)
S4881

>  <Synonyms> (4,434)
calcium dihydroxy-2,5-benzenesulfonate

>  <Target> (4,434)
Others

>  <URL> (4,434)
http://selleckchem.com/products/calcium-dobesilate.html

>  <CAS Number> (4,434)
20123-80-2

$$$$
S4892 Phenibut.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 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
    3.6310    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237    2.7935    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
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310    4.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237    4.1808    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
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295    4.8796    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
  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
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,435)
4435

>  <Formula> (4,435)
C10H13NO2

>  <MolWeight> (4,435)
179.21572

>  <Item Name> (4,435)
Phenibut

>  <Catalog Number> (4,435)
S4892

>  <Synonyms> (4,435)
Aminophenylbutyric acid, Fenibut, Fenigam, Phenigam, Phenybut, PhGABA, ¦Â-Phenyl-¦Ã-aminobutyric acid

>  <Target> (4,435)
GABA Receptor

>  <Form> (4,435)
free base

>  <URL> (4,435)
http://selleckchem.com/products/phenibut.html

>  <CAS Number> (4,435)
1078-21-3

$$$$
S2501 Pyrantel pamoate.cdx
csChFnd80/10101813242D

 43 47  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    9.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8649    5.6348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8711    4.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6629    3.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440    4.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4401    5.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6506    6.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6629    2.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0793    3.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2896    4.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4968    3.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7761    4.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7129    3.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0129    1.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6435    2.1512    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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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
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 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 13 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 14  1  0  0  0  0
  9 22  1  0  0  0  0
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 22 24  2  0  0  0  0
  8 25  1  0  0  0  0
 17 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 32 36  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 39  1  0  0  0  0
M  END
>  <Mol_ID> (4,436)
4436

>  <Formula> (4,436)
C34H30N2O6S

>  <MolWeight> (4,436)
594.6768

>  <Item Name> (4,436)
Pyrantel Pamoate 

>  <Catalog Number> (4,436)
S2501

>  <Synonyms> (4,436)
Pyrantel Embonate

>  <Target> (4,436)
Anti-infection

>  <Form> (4,436)
salt

>  <URL> (4,436)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

>  <CAS Number> (4,436)
22204-24-6

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/10101813242D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.8389    5.3842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1771    3.9947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3358    3.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0022    2.4833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2089    1.7079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3626    2.7803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9317    4.1661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5939    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0264    6.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    1.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    5.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    6.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0678    0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773    5.2227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9461    6.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3209    3.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0420    2.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    3.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8852    1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5843    1.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8088    7.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0746    7.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9029    9.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1909    4.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1933    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6965    3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8944    5.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0593    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5333    7.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639    2.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867    5.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    5.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701    1.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2780    3.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0636    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
 13  1  1  0  0  0  0
  1 16  1  1  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 42  1  6  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  3 43  1  6  0  0  0
 29  4  1  0  0  0  0
 30  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5 41  1  6  0  0  0
 20  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  6  0  0  0
 14  6  1  0  0  0  0
 21  6  1  0  0  0  0
  7 18  1  1  0  0  0
  8 17  1  1  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
 12 10  1  0  0  0  0
 24 10  2  0  0  0  0
 11 14  1  0  0  0  0
 31 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  1  0  0  0
 22 16  1  0  0  0  0
 19 17  1  0  0  0  0
 23 18  1  0  0  0  0
 25 19  2  0  0  0  0
 28 19  1  0  0  0  0
 20 21  1  0  0  0  0
 26 22  2  0  0  0  0
 35 22  1  0  0  0  0
 27 23  2  0  0  0  0
 34 23  1  0  0  0  0
 32 28  1  0  0  0  0
 36 32  2  0  0  0  0
 37 32  1  0  0  0  0
 39 36  1  0  0  0  0
 38 37  2  0  0  0  0
 40 38  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (4,437)
4437

>  <Formula> (4,437)
C32H40O8

>  <MolWeight> (4,437)
552.6552

>  <Item Name> (4,437)
Euphorbiasteroid

>  <Catalog Number> (4,437)
S3832

>  <Synonyms> (4,437)
Euphorbia factor L1

>  <Target> (4,437)
Others

>  <Form> (4,437)
free base

>  <URL> (4,437)
http://selleckchem.com/products/euphorbiasteroid.html

>  <CAS Number> (4,437)
28649-59-4

$$$$
S4815 L-Cysteine HCL.cdx
csChFnd80/10101813242D

  8  6  0  0  0  0  0  0  0  0999 V2000
    2.4142    1.5948    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6264    2.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    2.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    0.2008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8419    1.5948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    3.6991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5948    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0024    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  1  1  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> (4,438)
4438

>  <Formula> (4,438)
C3H8ClNO2S

>  <MolWeight> (4,438)
157.61912

>  <Item Name> (4,438)
L-Cysteine HCl

>  <Catalog Number> (4,438)
S4815

>  <Synonyms> (4,438)
N/A

>  <Target> (4,438)
Others

>  <Form> (4,438)
hydrochloride 

>  <URL> (4,438)
http://selleckchem.com/products/l-cysteine-hcl.html

>  <CAS Number> (4,438)
52-89-1

$$$$
S4816 Diatrizoate sodium.cdx
csChFnd80/10101813242D

 21 20  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    3.5000    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
    7.2746    1.4000    0.0000 N   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
    7.2746    4.2000    0.0000 I   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    0.0000    0.0000 I   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    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
    2.4249    1.4000    0.0000 N   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
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  5  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    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
    7.2212    6.3392    0.0000 Na  0  3  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
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,439)
4439

>  <Formula> (4,439)
C11H8I3N2NaO4

>  <MolWeight> (4,439)
635.8954

>  <Item Name> (4,439)
Diatrizoate sodium

>  <Catalog Number> (4,439)
S4816

>  <Synonyms> (4,439)
amidotrizoate sodium, Hypaque sodium, Triombrin

>  <Target> (4,439)
Others

>  <URL> (4,439)
http://selleckchem.com/products/diatrizoate-sodium.html

>  <CAS Number> (4,439)
737-31-5

$$$$
S4819 Saccharin.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4266    1.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    3.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471    1.2832    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7457    3.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    3.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5721    2.3956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9538    0.5734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898    4.8691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014    3.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5  7  1  0  0  0  0
  6 12  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,440)
4440

>  <Formula> (4,440)
C7H5NO3S

>  <MolWeight> (4,440)
183.1845

>  <Item Name> (4,440)
Saccharin

>  <Catalog Number> (4,440)
S4819

>  <Synonyms> (4,440)
Benzoic sulfimide, O-Sulfobenzimide, O-Benzoic sulfimide, Saccharimide

>  <Target> (4,440)
Others

>  <Form> (4,440)
free base

>  <URL> (4,440)
http://selleckchem.com/products/saccharin.html

>  <CAS Number> (4,440)
81-07-2

$$$$
S4830 Maltose.cdx
csChFnd80/10101813242D

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.4892    4.2666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4892    5.6663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958    3.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    6.3597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6696    2.0610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2204    2.1836    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970    5.6630    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    7.7663    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3888    1.3929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8820    1.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0080    1.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    6.3646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8970    4.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4749    8.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    8.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    2.0537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3233    5.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    7.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611    7.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3233    4.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3380    6.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3092    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  1  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  1  6  0  0  0
  7 13  1  6  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  1  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  1  0  0  0
 16 21  1  0  0  0  0
 19 22  2  0  0  0  0
  5 23  1  1  0  0  0
 11 24  1  1  0  0  0
M  END
>  <Mol_ID> (4,441)
4441

>  <Formula> (4,441)
C12H22O11

>  <MolWeight> (4,441)
342.29648

>  <Item Name> (4,441)
Maltose

>  <Catalog Number> (4,441)
S4830

>  <Synonyms> (4,441)
maltobiose, malt sugar, Beta-maltose, D-Maltose

>  <Target> (4,441)
Others

>  <Form> (4,441)
free base

>  <URL> (4,441)
http://selleckchem.com/products/maltose.html

>  <CAS Number> (4,441)
 69-79-4

$$$$
S4831 Piperonyl butoxide.cdx
csChFnd80/10101813242D

 24 25  0  0  0  0  0  0  0  0999 V2000
   16.9679    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9679    0.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7533    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2878    2.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7582    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3144    0.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1236    1.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5416    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3348    2.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3414    0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255    2.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1395    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9218    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,442)
4442

>  <Formula> (4,442)
C19H30O5

>  <MolWeight> (4,442)
338.4385

>  <Item Name> (4,442)
Piperonyl butoxide

>  <Catalog Number> (4,442)
S4831

>  <Synonyms> (4,442)
Butacide, Ethanol butoxide, Pyrenone 606

>  <Target> (4,442)
Others

>  <URL> (4,442)
http://selleckchem.com/products/piperonyl-butoxide.html

>  <CAS Number> (4,442)
51-03-6

$$$$
S4832 Tolmetin.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.2409    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4533    1.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9614    1.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6634    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4533    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7264    3.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1327    4.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281    2.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8976    1.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6634    3.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1505    5.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0969    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3185    4.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  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  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,443)
4443

>  <Formula> (4,443)
C15H15NO3

>  <MolWeight> (4,443)
257.2845

>  <Item Name> (4,443)
Tolmetin

>  <Catalog Number> (4,443)
S4832

>  <Synonyms> (4,443)
Tolectin

>  <Target> (4,443)
Immunology & Inflammation related

>  <Form> (4,443)
free base

>  <URL> (4,443)
http://selleckchem.com/products/tolmetin.html

>  <CAS Number> (4,443)
26171-23-3

$$$$
S4835 Aceclofenac.cdx
csChFnd80/10101813242D

 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
    3.6373    2.8000    0.0000 N   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    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
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 Cl  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
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    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  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,444)
4444

>  <Formula> (4,444)
C16H13Cl2NO4

>  <MolWeight> (4,444)
354.18472

>  <Item Name> (4,444)
Aceclofenac

>  <Catalog Number> (4,444)
S4835

>  <Synonyms> (4,444)
Preservex, Airtal

>  <Target> (4,444)
Immunology & Inflammation related

>  <Form> (4,444)
free base

>  <URL> (4,444)
http://selleckchem.com/products/aceclofenac.html

>  <CAS Number> (4,444)
89796-99-6

$$$$
S4839 Mosapride.cdx
csChFnd80/10101813242D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6390    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    3.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    4.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136    3.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    5.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4041    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2758    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032    4.2041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0647    6.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4883    2.0999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4883    3.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    1.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7003    4.2006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7003    5.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9124    3.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9129    6.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255    5.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3378    6.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1254    8.4009    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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  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
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
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  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,445)
4445

>  <Formula> (4,445)
C21H25ClFN3O3

>  <MolWeight> (4,445)
421.8929032

>  <Item Name> (4,445)
Mosapride

>  <Catalog Number> (4,445)
S4839

>  <Synonyms> (4,445)
N/A

>  <Target> (4,445)
5-HT Receptor

>  <URL> (4,445)
http://selleckchem.com/products/mosapride.html

>  <CAS Number> (4,445)
112885-41-3

$$$$
S4860 Indole-3-carboxylic acid.cdx
csChFnd80/10101813242D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4258    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7576    2.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7561    0.2657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1911    3.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5557    4.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2550    4.9031    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
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  4  9  2  0  0  0  0
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  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,446)
4446

>  <Formula> (4,446)
C9H7NO2

>  <MolWeight> (4,446)
161.15738

>  <Item Name> (4,446)
Indole-3-carboxylic acid

>  <Catalog Number> (4,446)
S4860

>  <Synonyms> (4,446)
3-Indoleformic acid, 3-Carboxyindole, ¦Â-Indolylcarboxylic acid, 3-indolecarboxylate, 3-indoleformate

>  <Target> (4,446)
Others

>  <URL> (4,446)
http://selleckchem.com/products/indole-carboxylic-acid.html

>  <CAS Number> (4,446)
771-50-6

$$$$
S4861 Oxindole.cdx
csChFnd80/10101813242D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4520    2.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    0.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7822    2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2258    2.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770    0.2613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015    1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7096    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
  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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  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,447)
4447

>  <Formula> (4,447)
C8H7NO

>  <MolWeight> (4,447)
133.14728

>  <Item Name> (4,447)
Oxindole

>  <Catalog Number> (4,447)
S4861

>  <Synonyms> (4,447)
2-indolone, 2-Oxindole, Indolin-2-one

>  <Target> (4,447)
Others

>  <Form> (4,447)
free base

>  <URL> (4,447)
http://selleckchem.com/products/oxindole.html

>  <CAS Number> (4,447)
59-48-3

$$$$
S4871 Pyridoxal 5-phosphate monohydrate.cdx
csChFnd80/10101813242D

 18 17  0  0  0  0  0  0  0  0999 V2000
    4.7097    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9222    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7097    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4972    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1346    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9222    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9222    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2848    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1346    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3470    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1346    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725    2.8001    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.3470    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  2  0  0  0  0
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M  END
>  <Mol_ID> (4,448)
4448

>  <Formula> (4,448)
C8H12NO7P

>  <MolWeight> (4,448)
265.157141

>  <Item Name> (4,448)
Pyridoxal 5-phosphate monohydrate

>  <Catalog Number> (4,448)
S4871

>  <Synonyms> (4,448)
N/A

>  <Target> (4,448)
Vitamin

>  <Form> (4,448)
hydrate 

>  <URL> (4,448)
http://selleckchem.com/products/pyridoxal-phosphate-monohydrate.html

>  <CAS Number> (4,448)
 41468-25-1

$$$$
S4874 Cefazedone.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,449)
4449

>  <Formula> (4,449)
C18H15Cl2N5O5S3

>  <MolWeight> (4,449)
548.4432

>  <Item Name> (4,449)
Cefazedone

>  <Catalog Number> (4,449)
S4874

>  <Synonyms> (4,449)
Refosporen, Cefazedonum 

>  <Target> (4,449)
Anti-infection

>  <Form> (4,449)
free base

>  <URL> (4,449)
http://selleckchem.com/products/cefazedone.html

>  <CAS Number> (4,449)
56187-47-4

$$$$
S4875 Cephapirin Benzathine.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,450)
4450

>  <Formula> (4,450)
C50H54N8O12S4

>  <MolWeight> (4,450)
1087.27016

>  <Item Name> (4,450)
Cephapirin Benzathine

>  <Catalog Number> (4,450)
S4875

>  <Synonyms> (4,450)
N/A

>  <Target> (4,450)
Anti-infection

>  <Form> (4,450)
salt

>  <URL> (4,450)
http://selleckchem.com/products/cephapirin-benzathine.html

>  <CAS Number> (4,450)
97468-37-6

$$$$
S4882 Resorantel.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,451)
4451

>  <Formula> (4,451)
C13H10BrNO3

>  <MolWeight> (4,451)
308.1274

>  <Item Name> (4,451)
Resorantel

>  <Catalog Number> (4,451)
S4882

>  <Synonyms> (4,451)
N/A

>  <Target> (4,451)
Anti-infection

>  <Form> (4,451)
free base

>  <URL> (4,451)
http://selleckchem.com/products/resorantel.html

>  <CAS Number> (4,451)
20788-07-2

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/10101813242D

 16 17  0  0  0  0  0  0  0  0999 V2000
    8.6046    2.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4268    1.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2720    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8471    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    2.1008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2729    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2120    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4257    6.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (4,452)
4452

>  <Formula> (4,452)
C10H13N5O

>  <MolWeight> (4,452)
219.24312

>  <Item Name> (4,452)
Trans-Zeatin

>  <Catalog Number> (4,452)
S4884

>  <Synonyms> (4,452)
(E)-Zeatin

>  <Target> (4,452)
Others

>  <URL> (4,452)
http://selleckchem.com/products/trans-zeatin.html

>  <CAS Number> (4,452)
1637-39-4

$$$$
S4885 Taurolidine.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.6240    2.1531    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3867    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6240    0.7652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9751    1.8112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9861    3.5205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2065    2.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4030    0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1902    0.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9570    0.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7808    0.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7808    2.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5682    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5845    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3391    0.6961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7652    3.3659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  2  0  0  0  0
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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (4,453)
4453

>  <Formula> (4,453)
C7H16N4O4S2

>  <MolWeight> (4,453)
284.35634

>  <Item Name> (4,453)
Taurolidine

>  <Catalog Number> (4,453)
S4885

>  <Synonyms> (4,453)
Taurolin, Tauroline, Tauroflex

>  <Target> (4,453)
Anti-infection

>  <Form> (4,453)
free base

>  <URL> (4,453)
http://selleckchem.com/products/taurolidine.html

>  <CAS Number> (4,453)
19388-87-5

$$$$
S4886 Menbutone.cdx
csChFnd80/10101813242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.0532    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2621    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372    2.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2550    0.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    4.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2762    4.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4851    4.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0391    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6361    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8956    2.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
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  6 12  2  0  0  0  0
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  8 10  2  0  0  0  0
  9 12  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,454)
4454

>  <Formula> (4,454)
C15H14O4

>  <MolWeight> (4,454)
258.26926

>  <Item Name> (4,454)
Menbutone

>  <Catalog Number> (4,454)
S4886

>  <Synonyms> (4,454)
Genabilin, Naftobil, Genabilic acid

>  <Target> (4,454)
Others

>  <URL> (4,454)
http://selleckchem.com/products/menbutone.html

>  <CAS Number> (4,454)
3562-99-0

$$$$
S4887 Nikethamide.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7001    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
    4.8497    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    4.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
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M  END
>  <Mol_ID> (4,455)
4455

>  <Formula> (4,455)
C10H14N2O

>  <MolWeight> (4,455)
178.23096

>  <Item Name> (4,455)
Nikethamide

>  <Catalog Number> (4,455)
S4887

>  <Synonyms> (4,455)
Corvin, Anacardone

>  <Target> (4,455)
Others

>  <Form> (4,455)
free base

>  <URL> (4,455)
http://selleckchem.com/products/nikethamide.html

>  <CAS Number> (4,455)
59-26-7

$$$$
S4893 Cytosine.cdx
csChFnd80/10101813242D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4245    2.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473    0.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781    4.1994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2465    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6710    0.0395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0228    0.6802    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
  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  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,456)
4456

>  <Formula> (4,456)
C4H5N3O

>  <MolWeight> (4,456)
111.102

>  <Item Name> (4,456)
Cytosine

>  <Catalog Number> (4,456)
S4893

>  <Synonyms> (4,456)
4-Amino-2-hydroxypyrimidine, Cytosinimine

>  <Target> (4,456)
Others

>  <Form> (4,456)
free base

>  <URL> (4,456)
http://selleckchem.com/products/cytosine.html

>  <CAS Number> (4,456)
71-30-7

$$$$
S4894 D-Glucurone.cdx
csChFnd80/10101813242D

 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
    4.2961    3.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4289    2.4641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.8196    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3314    1.1316    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  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  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
  9  6  1  0  0  0  0
  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> (4,457)
4457

>  <Formula> (4,457)
C6H8O6

>  <MolWeight> (4,457)
176.12412

>  <Item Name> (4,457)
D-Glucurone

>  <Catalog Number> (4,457)
S4894

>  <Synonyms> (4,457)
N/A

>  <Target> (4,457)
Others

>  <Form> (4,457)
free base

>  <URL> (4,457)
http://selleckchem.com/products/d-glucurone.html

>  <CAS Number> (4,457)
32449-92-6

$$$$
S4897 Nortropine Hydrochloride.cdx
csChFnd80/10101813242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.5867    2.4524    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7933    1.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5867    4.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023    2.4210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8867    3.3974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3209    2.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
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M  END
>  <Mol_ID> (4,458)
4458

>  <Formula> (4,458)
C7H14ClNO

>  <MolWeight> (4,458)
163.64516

>  <Item Name> (4,458)
Nortropine Hydrochloride

>  <Catalog Number> (4,458)
S4897

>  <Synonyms> (4,458)
Nortropeno Hydrochloride

>  <Target> (4,458)
Others

>  <Form> (4,458)
hydrochloride

>  <URL> (4,458)
http://selleckchem.com/products/nortropine-hydrochloride.html

>  <CAS Number> (4,458)
14383-51-8

$$$$
S4898 Sulfalozine sodium.cdx
csChFnd80/10101813242D

 18 19  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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   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
    5.5497    2.2876    0.0000 O   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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    8.4871    4.2000    0.0000 C   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
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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  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
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,459)
4459

>  <Formula> (4,459)
C10H9ClN4O2S

>  <MolWeight> (4,459)
284.72206

>  <Item Name> (4,459)
Sulfalozine sodium

>  <Catalog Number> (4,459)
S4898

>  <Synonyms> (4,459)
sulfaclozine sodium, sulfachlopryrazine sodium

>  <Target> (4,459)
Anti-infection

>  <Form> (4,459)
free base

>  <URL> (4,459)
http://selleckchem.com/products/sulfalozine-sodium.html

>  <CAS Number> (4,459)
102-65-8

$$$$
S4899 Sulfogaiacol.cdx
csChFnd80/10101813242D

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.2034    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5102    2.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5102    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    1.3967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1178    2.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1136    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0034    1.3967    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4178    3.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0220    3.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1563    1.3983    0.0000 K   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  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  2  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 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,460)
4460

>  <Formula> (4,460)
C7H7KO5S

>  <MolWeight> (4,460)
242.29078

>  <Item Name> (4,460)
Sulfogaiacol

>  <Catalog Number> (4,460)
S4899

>  <Synonyms> (4,460)
guaiacolsulfonate

>  <Target> (4,460)
Others

>  <URL> (4,460)
http://selleckchem.com/products/sulfogaiacol.html

>  <CAS Number> (4,460)
1321-14-8

$$$$
S4936 Antiarol.cdx
csChFnd80/10101813242D

 13 13  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
    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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    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
    4.8497    4.2000    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
    0.0000    4.2000    0.0000 C   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
  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
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,461)
4461

>  <Formula> (4,461)
C9H12O4

>  <MolWeight> (4,461)
184.18918

>  <Item Name> (4,461)
Antiarol

>  <Catalog Number> (4,461)
S4936

>  <Synonyms> (4,461)
3,4,5-trimethoxyphenol

>  <Target> (4,461)
Others

>  <Form> (4,461)
free base

>  <URL> (4,461)
http://selleckchem.com/products/antiarol.html

>  <CAS Number> (4,461)
642-71-7

$$$$
S4938 Cedrol.cdx
csChFnd80/10101813242D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4888    2.2394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3996    1.4737    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4888    4.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6422    1.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4230    1.1264    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7234    2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9880    3.5546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7045    2.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9611    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8058    1.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1634    4.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272    2.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2054    3.1735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4618    4.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5274    3.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8007    4.7654    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
  2 17  1  6  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  6  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 18  1  6  0  0  0
  9 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  6  0  0  0
M  END
>  <Mol_ID> (4,462)
4462

>  <Formula> (4,462)
C15H26O

>  <MolWeight> (4,462)
222.36634

>  <Item Name> (4,462)
Cedrol

>  <Catalog Number> (4,462)
S4938

>  <Synonyms> (4,462)
N/A

>  <Target> (4,462)
P450 (e.g. CYP17)

>  <Form> (4,462)
free base

>  <URL> (4,462)
http://selleckchem.com/products/cedrol.html

>  <CAS Number> (4,462)
77-53-2

$$$$
S4939 cis-Aconitic acid.cdx
csChFnd80/10101813242D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.1205    1.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8137    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068    3.6254    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
    4.1999    4.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7205    1.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8274    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0137    2.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8931    6.0739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9068    3.6491    0.0000 O   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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,463)
4463

>  <Formula> (4,463)
C6H6O6

>  <MolWeight> (4,463)
174.10824

>  <Item Name> (4,463)
cis-Aconitic acid

>  <Catalog Number> (4,463)
S4939

>  <Synonyms> (4,463)
cis-aconitate, Achilleic acid, Citridinic acid, Equisetic acid, Pyrocitric acid

>  <Target> (4,463)
Others

>  <Form> (4,463)
free base

>  <URL> (4,463)
http://selleckchem.com/products/cis-aconitic-acid.html

>  <CAS Number> (4,463)
585-84-2

$$$$
S4847 Faropenem Sodium.cdx
csChFnd80/10101813242D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.8090    3.5085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    2.0886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1651    3.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    3.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    2.0886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1651    1.6567    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9614    2.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5819    5.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4199    4.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    1.4123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3627    2.8059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6428    6.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9494    5.5707    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1326    3.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2115    1.6901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4662    3.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4662    2.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    0.6912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    0.7211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034    5.6131    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.3727    1.8160    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 20  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  6  0  0  0
  6  7  1  0  0  0  0
 11  7  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  6  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 11 23  1  6  0  0  0
M  END
>  <Mol_ID> (4,464)
4464

>  <Formula> (4,464)
C12H14NNaO5S

>  <MolWeight> (4,464)
307.29803

>  <Item Name> (4,464)
Faropenem Sodium

>  <Catalog Number> (4,464)
S4847

>  <Synonyms> (4,464)
N/A

>  <Target> (4,464)
Anti-infection

>  <URL> (4,464)
http://selleckchem.com/products/faropenem-sodium.html

>  <CAS Number> (4,464)
122547-49-3

$$$$
S4870 Cefodizime Sodium.cdx
csChFnd80/10101813242D

 40 41  0  0  0  0  0  0  0  0999 V2000
    6.0171    2.3096    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   19.8464    0.0413    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.4364    5.0577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6509    4.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8613    5.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8571    6.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6426    7.1613    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4323    6.4577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0323    6.4536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0364    5.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6551    2.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8696    2.2649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4447    2.2578    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.0758    4.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2861    5.0721    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.6511    2.9838    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5006    4.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7779    4.9489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7178    3.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0214    2.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1097    4.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5946    1.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9873    1.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8069    2.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5605    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0394    7.4406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6882    7.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3298    5.7209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6953    8.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3441    7.6949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3512    8.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284   11.6764    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2818   11.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3592    9.9202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0537    9.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1694   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3672   12.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  2  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 29 30  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
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 36 37  2  0  0  0  0
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 29 36  1  0  0  0  0
 26 27  1  0  0  0  0
  9 26  1  1  0  0  0
  8 39  1  6  0  0  0
 10 40  2  0  0  0  0
M  END
>  <Mol_ID> (4,465)
4465

>  <Formula> (4,465)
C20H18N6Na2O7S4

>  <MolWeight> (4,465)
628.63246

>  <Item Name> (4,465)
Cefodizime Sodium

>  <Catalog Number> (4,465)
S4870

>  <Synonyms> (4,465)
N/A

>  <Target> (4,465)
Anti-infection

>  <Form> (4,465)
disodium salt

>  <URL> (4,465)
http://selleckchem.com/products/cefodizime-sodium.html

>  <CAS Number> (4,465)
86329-79-5

$$$$
S4883 Lynestrenol.cdx
csChFnd80/10101813242D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.0665    2.8034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0665    4.2034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8532    2.1017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3973    2.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8532    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2233    3.5017    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
  1  4  1  0  0  0  0
  1 22  1  6  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
  3 23  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  6  0  0  0
  5 12  1  0  0  0  0
  5 10  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 13  1  0  0  0  0
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 11 16  3  0  0  0  0
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 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,466)
4466

>  <Formula> (4,466)
C20H28O

>  <MolWeight> (4,466)
284.43572

>  <Item Name> (4,466)
Lynestrenol

>  <Catalog Number> (4,466)
S4883

>  <Synonyms> (4,466)
Ethinylestrenol

>  <Target> (4,466)
Estrogen/progestogen Receptor

>  <Form> (4,466)
free base

>  <URL> (4,466)
http://selleckchem.com/products/lynestrenol.html

>  <CAS Number> (4,466)
52-76-6

$$$$
QUTENZA (capsaicin).cdx
csChFnd80/10101813242D

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.4291    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.3951    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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    8.5039    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9288    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7785    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2034    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    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
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,467)
4467

>  <Formula> (4,467)
C18H27NO3

>  <MolWeight> (4,467)
305.41188

>  <Item Name> (4,467)
Capsaicin

>  <Catalog Number> (4,467)
S1990

>  <Synonyms> (4,467)
Qutenza, Vanilloid

>  <Target> (4,467)
Others

>  <URL> (4,467)
http://www.selleckchem.com/products/Capsaicin(Qutenza).html

>  <CAS Number> (4,467)
404-86-4

$$$$
S4866 Nicarbazin.cdx
csChFnd80/10101813242D

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.5902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.5902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.6995    2.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    3.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    3.3902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    2.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.7902    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   18.9823    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7512    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3083    0.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1947    0.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  3  6  2  0  0  0  0
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  5  9  2  0  0  0  0
  5  8  1  0  0  0  0
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 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (4,468)
4468

>  <Formula> (4,468)
C19H18N6O6

>  <MolWeight> (4,468)
426.38282

>  <Item Name> (4,468)
Nicarbazin

>  <Catalog Number> (4,468)
S4866

>  <Synonyms> (4,468)
N/A

>  <Target> (4,468)
Anti-infection

>  <Form> (4,468)
salt

>  <URL> (4,468)
http://selleckchem.com/products/nicarbazin.html

>  <CAS Number> (4,468)
330-95-0

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/10101813242D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.2689    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689    3.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5114    1.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0567    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4818    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7280    2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4201    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  2  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
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,469)
4469

>  <Formula> (4,469)
C15H12O2

>  <MolWeight> (4,469)
224.25458

>  <Item Name> (4,469)
4'-Hydroxychalcone

>  <Catalog Number> (4,469)
S4937

>  <Synonyms> (4,469)
P-Cinnamoylphenol

>  <Target> (4,469)
Others

>  <Form> (4,469)
free base

>  <URL> (4,469)
http://selleckchem.com/products/hydroxychalcone.html

>  <CAS Number> (4,469)
2657-25-2

$$$$
Sodium valproate.cdx
csChFnd80/10101813242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
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    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    1.4000    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
  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
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,470)
4470

>  <Formula> (4,470)
C8H15NaO2

>  <MolWeight> (4,470)
166.19327

>  <Item Name> (4,470)
Valproic acid sodium salt (Sodium valproate)

>  <Catalog Number> (4,470)
S1168

>  <Synonyms> (4,470)
N/A 

>  <Target> (4,470)
GABA Receptor, HDAC

>  <URL> (4,470)
http://www.selleckchem.com/products/Sodium-valproate.html

>  <CAS Number> (4,470)
1069-66-5, 99-66-1 (FREE BASE)

$$$$
S4623 5,5-Dimethyloxazolidine-2,4-dione.cdx
csChFnd80/10101813242D

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M  END
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>  <Formula> (4,471)
C5H7NO3

>  <MolWeight> (4,471)
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>  <Item Name> (4,471)
5,5-Dimethyloxazolidine-2,4-dione

>  <Catalog Number> (4,471)
S4624

>  <Synonyms> (4,471)
Dimethadione, Dimethyloxazolidinedione, Dimethadion

>  <Target> (4,471)
Others

>  <Form> (4,471)
free base

>  <URL> (4,471)
http://selleckchem.com/products/5-5-dimethyloxazolidine-2-4-dione.html

>  <CAS Number> (4,471)
695-53-4

$$$$
S3882 Brassinolide.cdx
csChFnd80/10101813242D

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>  <Formula> (4,472)
C28H48O6

>  <MolWeight> (4,472)
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>  <Item Name> (4,472)
Brassinolide

>  <Catalog Number> (4,472)
S3882

>  <Synonyms> (4,472)
N/A

>  <Target> (4,472)
Others

>  <Form> (4,472)
free base

>  <URL> (4,472)
http://selleckchem.com/products/brassinolide.html

>  <CAS Number> (4,472)
72962-43-7

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/10101813242D

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>  <Formula> (4,473)
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>  <Item Name> (4,473)
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>  <Catalog Number> (4,473)
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>  <Synonyms> (4,473)
Sanchinoside R1

>  <Target> (4,473)
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>  <Form> (4,473)
free base

>  <URL> (4,473)
http://selleckchem.com/products/notoginsenoside-r1.html

>  <CAS Number> (4,473)
80418-24-2

$$$$
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csChFnd80/10101813242D

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   12.4208   13.1588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5356    6.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1416    5.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7273   14.3709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8236   13.1501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8873   15.5943    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.4179   16.7943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6252   16.7975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0953    2.4412    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.4524   19.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  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
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  1  0  0  0
  8 13  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 26 32  1  0  0  0  0
 27 33  1  1  0  0  0
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 30 36  1  0  0  0  0
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 40 46  1  0  0  0  0
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M  END
>  <Mol_ID> (4,474)
4474

>  <Formula> (4,474)
C38H60O18

>  <MolWeight> (4,474)
804.8722

>  <Item Name> (4,474)
Stevioside

>  <Catalog Number> (4,474)
S3805

>  <Synonyms> (4,474)
N/A

>  <Target> (4,474)
Others

>  <Form> (4,474)
free base

>  <URL> (4,474)
http://selleckchem.com/products/stevioside.html

>  <CAS Number> (4,474)
57817-89-7

$$$$
S3952 3,4-Dihydroxybenzaldehyde.cdx
csChFnd80/10101813242D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6376    3.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6512    2.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    4.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2188    3.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4604    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    5.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0654    3.5118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760    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
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,475)
4475

>  <Formula> (4,475)
C7H6O3

>  <MolWeight> (4,475)
138.12074

>  <Item Name> (4,475)
3,4-Dihydroxybenzaldehyde

>  <Catalog Number> (4,475)
S3952

>  <Synonyms> (4,475)
protocatechuic aldehyde

>  <Target> (4,475)
Others

>  <Form> (4,475)
free base

>  <URL> (4,475)
http://selleckchem.com/products/3-4-dihydroxybenzaldehyde.html

>  <CAS Number> (4,475)
139-85-5

$$$$
S3958 3,5-Diiodotyrosine Dihydrate.cdx
csChFnd80/10101813242D

 17 15  0  0  0  0  0  0  0  0999 V2000
    5.6555    3.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4424    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6555    2.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8649    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330    3.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4424    1.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0779    3.4987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2330    2.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0200    4.1977    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.4424    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    9.2874    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0779    2.0970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  6 10  1  0  0  0  0
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M  END
>  <Mol_ID> (4,476)
4476

>  <Formula> (4,476)
C9H13I2NO5

>  <MolWeight> (4,476)
469.01216

>  <Item Name> (4,476)
3,5-Diiodotyrosine Dihydrate

>  <Catalog Number> (4,476)
S3958

>  <Synonyms> (4,476)
Iodogorgoic acid, apothyrin, jodgorgon

>  <Target> (4,476)
Others

>  <Form> (4,476)
dihydrate 

>  <URL> (4,476)
http://selleckchem.com/products/3-5-diiodotyrosine-dihydrate.html

>  <CAS Number> (4,476)
18835-59-1

$$$$
S3969 Veratric acid.cdx
csChFnd80/10101813242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4262    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    4.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0009    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    6.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    2.7991    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
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  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,477)
4477

>  <Formula> (4,477)
C9H10O4

>  <MolWeight> (4,477)
182.1733

>  <Item Name> (4,477)
Veratric acid

>  <Catalog Number> (4,477)
S3969

>  <Synonyms> (4,477)
3,4-Dimethoxybenzoic acid

>  <Target> (4,477)
Immunology & Inflammation related

>  <Form> (4,477)
free base

>  <URL> (4,477)
http://selleckchem.com/products/veratric-acid.html

>  <CAS Number> (4,477)
93-07-2

$$$$
Clindamycin hydrochloride.cdx
csChFnd80/10101813242D

 28 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.3521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    3.9521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.2521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.9521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6331    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.8521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    3.2521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    1.1521    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.9497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.9944    5.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6250    5.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477    2.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
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  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  6  0  0  0
 15 13  1  6  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
  6 22  1  1  0  0  0
 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,478)
4478

>  <Formula> (4,478)
C18H34Cl2N2O5S

>  <MolWeight> (4,478)
461.44396

>  <Item Name> (4,478)
Clindamycin HCl 

>  <Catalog Number> (4,478)
S2457

>  <Target> (4,478)
50S ribosomal 

>  <Form> (4,478)
hydrochloride

>  <URL> (4,478)
http://www.selleckchem.com/products/Clindamycin-

>  <CAS Number> (4,478)
21462-39-5 

$$$$
Clindamycin hydrochloride.cdx
csChFnd80/10101813242D

 45 45  0  0  0  0  0  0  0  0999 V2000
   20.5777    5.8771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5777    4.4771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.7902    3.7771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.0026    4.4771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.0026    5.8771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    6.5771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.7902    2.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0026    1.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2150    2.3771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.2150    3.7771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.4275    1.6771    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   26.6399    2.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6399    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4275    4.4771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.8481    4.4747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.1271    3.9052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0639    4.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3639    6.1581    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9945    5.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695    3.7795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695    6.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    7.9722    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.9313    7.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5819    8.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4172    2.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3188    7.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8863    8.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7989    4.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7448    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9464    0.0000    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  6  0  0  0
  5  6  1  0  0  0  0
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  3  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 11  1  1  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
  6 22  1  1  0  0  0
 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
>  <Mol_ID> (4,479)
4479

>  <Formula> (4,479)
C34H64Cl2N2O6S

>  <MolWeight> (4,479)
699.85276

>  <Item Name> (4,479)
Clindamycin palmitate HCl

>  <Catalog Number> (4,479)
S2596

>  <Synonyms> (4,479)
N/A

>  <Target> (4,479)
Others

>  <Form> (4,479)
hydrochloride

>  <URL> (4,479)
http://selleckchem.com/products/clindamycin-palmitate-hcl.html

>  <CAS Number> (4,479)
25507-04-4 

$$$$
GW 5074.cdx
csChFnd80/10101813242D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6971    3.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8638    5.0218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0001    2.3634    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.9935    7.0990    0.0000 Br  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
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 12 13  1  4  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
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,480)
4480

>  <Formula> (4,480)
C15H8Br2INO2

>  <MolWeight> (4,480)
520.94199

>  <Item Name> (4,480)
GW5074

>  <Catalog Number> (4,480)
S2872

>  <Synonyms> (4,480)
N/A

>  <Target> (4,480)
Raf

>  <Form> (4,480)
free base

>  <URL> (4,480)
http://selleckchem.com/products/gw5074.html

>  <CAS Number> (4,480)
220904-83-6

$$$$
Isotretinoin.cdx
csChFnd80/10101813242D

 22 22  0  0  0  0  0  0  0  0999 V2000
   12.1461    0.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1457    2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9294    2.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7080    2.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9376    0.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    2.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2845    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    2.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8312    2.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    2.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    2.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3624    0.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9291    4.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    4.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4066    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    0.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    0.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1133    3.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3163    3.8751    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
  5  1  2  0  0  0  0
  4  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 11  1  0  0  0  0
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 11  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,481)
4481

>  <Formula> (4,481)
C20H28O2

>  <MolWeight> (4,481)
300.43512

>  <Item Name> (4,481)
Isotretinoin 

>  <Catalog Number> (4,481)
S1379 

>  <Synonyms> (4,481)
13-cis retinoic acid

>  <Target> (4,481)
hydroxylase

>  <Form> (4,481)
free base

>  <URL> (4,481)
http://www.selleckchem.com/products/Isotretinoin.html

>  <CAS Number> (4,481)
4759-48-2

$$$$
Ulipristal acetate.cdx
csChFnd80/10101813242D

 37 41  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  2  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
    7.2746    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  2  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
    9.8185    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1708    4.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6206    6.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1608    4.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5131    4.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7984    2.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  1  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  2 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  3  1  0  0  0  0
 16 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 17  2  0  0  0  0
 22 24  2  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  6  0  0  0
  5 29  1  1  0  0  0
  3 30  1  1  0  0  0
  4 31  1  6  0  0  0
 27 32  2  0  0  0  0
 27 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 25 37  1  0  0  0  0
M  END
>  <Mol_ID> (4,482)
4482

>  <Formula> (4,482)
C30H37NO4

>  <MolWeight> (4,482)
475.61908

>  <Item Name> (4,482)
Ulipristal acetate

>  <Catalog Number> (4,482)
S3081

>  <Synonyms> (4,482)
CDB-2914

>  <Target> (4,482)
Estrogen/progestogen Receptor

>  <URL> (4,482)
http://selleckchem.com/products/ulipristal.html

>  <CAS Number> (4,482)
126784-99-4

$$$$
spiramycin.cdx
csChFnd80/10101813242D

 59 62  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    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> (4,483)
4483

>  <Formula> (4,483)
C43H74N2O14

>  <MolWeight> (4,483)
843.05266

>  <Item Name> (4,483)
spiramycin

>  <Catalog Number> (4,483)
S4082

>  <Synonyms> (4,483)
Formacidine

>  <Target> (4,483)
Anti-infection

>  <URL> (4,483)
http://selleckchem.com/products/spiramycin.html

>  <CAS Number> (4,483)
8025-81-8

$$$$
Methyl-Hesperidin.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,484)
4484

>  <Formula> (4,484)
C29H36O15

>  <MolWeight> (4,484)
624.58714

>  <Item Name> (4,484)
Methyl-Hesperidin

>  <Catalog Number> (4,484)
S2323

>  <Form> (4,484)
free base

>  <CAS Number> (4,484)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/10101813242D

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M  END
>  <Mol_ID> (4,485)
4485

>  <Formula> (4,485)
C19H19ClN6O4S3

>  <MolWeight> (4,485)
527.03996

>  <Item Name> (4,485)
SNS-314 Mesylate

>  <Catalog Number> (4,485)
S1154

>  <Synonyms> (4,485)
N/A

>  <Target> (4,485)
Aurora Kinase

>  <Form> (4,485)
Mesylate

>  <URL> (4,485)
http://www.selleckchem.com/products/SNS-314.html

>  <CAS Number> (4,485)
1146618-41-8

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/10101813242D

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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.6000    0.0000 N   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
    1.2124    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
    3.6373    7.7000    0.0000 C   0  0  2  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
    4.8455    8.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 14 19  1  0  0  0  0
  9 15  1  0  0  0  0
  3  9  1  0  0  0  0
 23 25  1  1  0  0  0
M  END
>  <Mol_ID> (4,486)
4486

>  <Formula> (4,486)
C18H21N5O2

>  <MolWeight> (4,486)
339.39164

>  <Item Name> (4,486)
Alogliptin£¨SYR-322£©

>  <Catalog Number> (4,486)
S2868

>  <Synonyms> (4,486)
N/A

>  <Target> (4,486)
DPP-4

>  <Form> (4,486)
Free Base

>  <URL> (4,486)
http://www.selleckchem.com/products/alogliptin-syr-322.html

>  <CAS Number> (4,486)
850649-61-5

$$$$
Propranolol HCl.cdx
csChFnd80/10101813242D

 20 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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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 O   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
    6.0538    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8075    1.7063    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 10  2  0  0  0  0
 10  5  1  0  0  0  0
 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
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 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,487)
4487

>  <Formula> (4,487)
C16H22ClNO2

>  <MolWeight> (4,487)
295.80438

>  <Item Name> (4,487)
Propranolol HCl

>  <Catalog Number> (4,487)
S4076

>  <Synonyms> (4,487)
N/A

>  <Target> (4,487)
Adrenergic Receptor

>  <Form> (4,487)
Hydrochloride

>  <URL> (4,487)
http://www.selleckchem.com/products/propranolol-hcl.html

>  <CAS Number> (4,487)
318-98-9

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/10101813242D

 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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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M  END
>  <Mol_ID> (4,488)
4488

>  <Formula> (4,488)
C15H14O6

>  <MolWeight> (4,488)
290.26806

>  <Item Name> (4,488)
(+)-Catechin

>  <Catalog Number> (4,488)
S4722

>  <Synonyms> (4,488)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (4,488)
Others

>  <Form> (4,488)
Free Base

>  <URL> (4,488)
http://www.selleckchem.com/products/catechin.html

>  <CAS Number> (4,488)
154-23-4

$$$$
S3810 Scutellarin.cdx
csChFnd80/10101813242D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    2.0260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    2.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    6.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 11  2  0  0  0  0
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 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
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 29 32  1  0  0  0  0
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M  END
>  <Mol_ID> (4,489)
4489

>  <Formula> (4,489)
C21H18O12

>  <MolWeight> (4,489)
462.36042

>  <Item Name> (4,489)
Scutellarin

>  <Catalog Number> (4,489)
S3810

>  <Synonyms> (4,489)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (4,489)
Others

>  <Form> (4,489)
free base

>  <URL> (4,489)
http://www.selleckchem.com/products/scutellarin.html

>  <CAS Number> (4,489)
27740-01-8

$$$$
