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$$$$
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912444-00-9

$$$$
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Axitinib

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AG 013736

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VEGFR, PDGFR, c-Kit

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Free Base

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

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319460-85-0

$$$$
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Saracatinib (AZD0530)

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N/A 

>  <Target> (5)
Src, Bcr-Abl

>  <Form> (5)
Free Base

>  <URL> (5)
http://www.selleckchem.com/products/AZD0530.html

>  <CAS Number> (5)
379231-04-6

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7

>  <Formula> (6)
C17H15BrClFN4O3

>  <MolWeight> (6)
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>  <Item Name> (6)
AZD6244 (Selumetinib)

>  <Catalog Number> (6)
S1008

>  <Synonyms> (6)
ARRY-142886 

>  <Target> (6)
MEK

>  <Form> (6)
Free Base

>  <URL> (6)
http://www.selleckchem.com/products/AZD6244.html

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

$$$$
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>  <Item Name> (7)
Nintedanib (BIBF 1120)

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N/A 

>  <Target> (7)
VEGFR, PDGFR, FGFR

>  <Form> (7)
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>  <URL> (7)
http://www.selleckchem.com/products/BIBF1120.html

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656247-17-5

$$$$
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>  <Mol_ID> (8)
10

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>  <Item Name> (8)
Bortezomib (Velcade)

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S1013

>  <Synonyms> (8)
MG-341, PS-341

>  <Target> (8)
Proteasome

>  <Form> (8)
Free Base

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

>  <CAS Number> (8)
179324-69-7

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/07171813082D

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>  <Mol_ID> (9)
11

>  <Formula> (9)
C26H29Cl2N5O3

>  <MolWeight> (9)
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>  <Item Name> (9)
Bosutinib (SKI-606)

>  <Catalog Number> (9)
S1014

>  <Synonyms> (9)
N/A 

>  <Target> (9)
Src

>  <Form> (9)
Free Base

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

>  <CAS Number> (9)
380843-75-4

$$$$
untitled.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (10)
12

>  <Formula> (10)
C25H27FN4O3

>  <MolWeight> (10)
450.5052832

>  <Item Name> (10)
Cediranib (AZD2171)

>  <Catalog Number> (10)
S1017

>  <Synonyms> (10)
Recentin 

>  <Target> (10)
VEGFR, Flt

>  <Form> (10)
Free Base

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

>  <CAS Number> (10)
288383-20-0

$$$$
untitled.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (11)
13

>  <Formula> (11)
C24H25ClFN5O3

>  <MolWeight> (11)
485.9384032

>  <Item Name> (11)
CI-1033 (Canertinib)

>  <Catalog Number> (11)
S1019

>  <Synonyms> (11)
PD-183805 

>  <Target> (11)
EGFR, HER2

>  <Form> (11)
Free Base

>  <URL> (11)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

>  <CAS Number> (11)
267243-28-7

$$$$
CI1040.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (12)
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N/A 

>  <Target> (12)
MEK 

>  <Form> (12)
Free Base

>  <URL> (12)
http://www.selleckchem.com/products/CI-1040-(PD184352).html

>  <CAS Number> (12)
212631-79-3

$$$$
Dasatinib.cdx
csChFnd80/07171813082D

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Dasatinib

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BMS-354825

>  <Target> (13)
Src, Bcr-Abl, c-Kit

>  <Form> (13)
Free Base

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

>  <CAS Number> (13)
302962-49-8

$$$$
untitled.cdx
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>  <Mol_ID> (14)
17

>  <Formula> (14)
C53H84NO14P

>  <MolWeight> (14)
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>  <Item Name> (14)
Deforolimus (MK-8669) 

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S1022

>  <Synonyms> (14)
AP23573, MK-8669

>  <Target> (14)
mTOR

>  <Form> (14)
Free Base

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

>  <CAS Number> (14)
572924-54-0

$$$$
untitled.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (15)
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>  <Formula> (15)
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>  <MolWeight> (15)
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>  <Item Name> (15)
Gefitinib (ZD1839)

>  <Catalog Number> (15)
S1025

>  <Synonyms> (15)
N/A

>  <Target> (15)
EGFR

>  <Form> (15)
Free Base

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

>  <CAS Number> (15)
184475-35-2

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (16)
21

>  <Formula> (16)
C43H42ClFN4O10S3

>  <MolWeight> (16)
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>  <Item Name> (16)
Lapatinib (GW-572016) Ditosylate

>  <Catalog Number> (16)
S1028

>  <Synonyms> (16)
GW-57201

>  <Target> (16)
EGFR, HER2

>  <Form> (16)
Ditosylat

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

>  <CAS Number> (16)
388082-77-7

$$$$
untitled.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (17)
22

>  <Formula> (17)
C13H13N3O3

>  <MolWeight> (17)
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>  <Item Name> (17)
Lenalidomide (CC-5013)

>  <Catalog Number> (17)
S1029

>  <Synonyms> (17)
CC-5013

>  <Target> (17)
TNF-alpha

>  <Form> (17)
Free Base

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

>  <CAS Number> (17)
191732-72-6

$$$$
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>  <Mol_ID> (18)
24

>  <Formula> (18)
C22H29N5O9P2

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>  <Item Name> (18)
Motesanib Diphosphate (AMG-706)

>  <Catalog Number> (18)
S1032

>  <Synonyms> (18)
AMG-706

>  <Target> (18)
VEGFR, PDGFR, c-Kit

>  <Form> (18)
Diphosphate

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

>  <CAS Number> (18)
857876-30-3

$$$$
untitled.cdx
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>  <Mol_ID> (19)
25

>  <Formula> (19)
C28H22F3N7O

>  <MolWeight> (19)
529.5157896

>  <Item Name> (19)
Nilotinib (AMN-107)

>  <Catalog Number> (19)
S1033

>  <Synonyms> (19)
Tasigna 

>  <Target> (19)
Bcr-Abl

>  <Form> (19)
Free Base

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

>  <CAS Number> (19)
641571-10-0

$$$$
untitled.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (20)
26

>  <Formula> (20)
C21H24ClN7O2S

>  <MolWeight> (20)
473.97896

>  <Item Name> (20)
Pazopanib HCl

>  <Catalog Number> (20)
S1035

>  <Synonyms> (20)
GW786034

>  <Target> (20)
VEGFR, PDGFR, c-Kit

>  <Form> (20)
Hydrochloride

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

>  <CAS Number> (20)
635702-64-6

$$$$
untitled.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (21)
27

>  <Formula> (21)
C16H14F3IN2O4

>  <MolWeight> (21)
482.1930396

>  <Item Name> (21)
PD0325901

>  <Catalog Number> (21)
S1036

>  <Synonyms> (21)
N/A

>  <Target> (21)
MEK 

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/PD-0325901.html

>  <CAS Number> (21)
391210-10-9

$$$$
Dimesna.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (22)
28

>  <Formula> (22)
C4H8Na2O6S4

>  <MolWeight> (22)
326.34226

>  <Item Name> (22)
Dimesna

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S1201 

>  <Synonyms> (22)
BNP7787, Tavocept, BioNumerik

>  <Target> (22)
Others

>  <Form> (22)
Disodium salt

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

>  <CAS Number> (22)
16208-51-8

$$$$
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csChFnd80/07171813082D

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HDAC 

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935881-37-1

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DNA-PK, PI3K, mTOR

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371935-74-9

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Immunology & Inflammation related

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Complex

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http://www.selleckchem.com/products/corm-3.html

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475473-26-8

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S1039

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>  <Target> (26)
mTOR 

>  <Form> (26)
Free Base

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

>  <CAS Number> (26)
53123-88-9

$$$$

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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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Free Base

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315702-99-9

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Flt

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387867-13-2

$$$$
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S1046

>  <Synonyms> (30)
N/A

>  <Target> (30)
VEGFR

>  <Form> (30)
Free Base

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

>  <CAS Number> (30)
443913-73-3

$$$$
vorinostat.cdx
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C14H20N2O3

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Vorinostat (SAHA, MK0683)

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S1047

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SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (31)
HDAC

>  <Form> (31)
Free Base

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

>  <CAS Number> (31)
149647-78-9

$$$$
untitled.cdx
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>  <Mol_ID> (32)
40

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C23H28N8OS

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VX-680 (MK-0457, Tozasertib)

>  <Catalog Number> (32)
S1048

>  <Synonyms> (32)
N/A 

>  <Target> (32)
Aurora Kinase

>  <Form> (32)
Free Base

>  <URL> (32)
http://www.selleckchem.com/products/VX-680(MK-0457).html

>  <CAS Number> (32)
639089-54-6

$$$$
Y-27632 2HCL.cdx
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41

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C14H23Cl2N3O

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320.25792

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Y-27632 2HCl

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S1049

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N/A

>  <Target> (33)
ROCK

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Dihydrochloride

>  <URL> (33)
http://www.selleckchem.com/products/Y-27632.html

>  <CAS Number> (33)
129830-38-2

$$$$
untitled.cdx
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42

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Elesclomol (STA-4783)

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S1052

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STA-4783

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HSP

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Free Base

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488832-69-5

$$$$
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SNDX-275

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HDAC 

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PKC 

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Free Base

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170364-57-5

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Obatoclax mesylate (GX15-070)

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N/A 

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Bcl-2 

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Mesylate

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

>  <CAS Number> (37)
803712-79-0

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PARP 

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Mdm2

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548472-68-0

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c-Kit, PDGFR, FGFR, FAK

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Free Base

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http://www.selleckchem.com/products/Masitinib-(AB1010).html

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790299-79-5

$$$$
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RG7321

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PI3K 

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http://www.selleckchem.com/products/GDC-0941.html

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957054-30-7

$$$$
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$$$$
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HSP

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PI3K 

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Free Base

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475110-96-4

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Free Base

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280744-09-4

$$$$
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p38 MAPK 

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>  <URL> (46)
http://www.selleckchem.com/products/SB-202190.html

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152121-30-7

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>  <Mol_ID> (47)
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>  <Formula> (47)
C25H23Cl2N5O

>  <MolWeight> (47)
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MK-2206 dihydrochloride

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S1078

>  <Synonyms> (47)
N/A

>  <Target> (47)
Akt

>  <Form> (47)
Dihydrochloride

>  <URL> (47)
http://www.selleckchem.com/products/MK-2206.html

>  <CAS Number> (47)
1032350-13-2

$$$$
untitled.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (48)
58

>  <Formula> (48)
C28H30ClN5O4S

>  <MolWeight> (48)
568.0869

>  <Item Name> (48)
SU11274

>  <Catalog Number> (48)
S1080

>  <Synonyms> (48)
PKI-SU11274

>  <Target> (48)
c-Met 

>  <Form> (48)
Free Base

>  <URL> (48)
http://www.selleckchem.com/products/SU11274.html

>  <CAS Number> (48)
658084-23-2

$$$$
untitled.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (49)
59

>  <Formula> (49)
C19H14Cl2N2O3S

>  <MolWeight> (49)
421.29706

>  <Item Name> (49)
Vismodegib (GDC-0449)

>  <Catalog Number> (49)
S1082

>  <Synonyms> (49)
N/A 

>  <Target> (49)
Hedgehog, P-gp

>  <Form> (49)
Free Base

>  <URL> (49)
http://www.selleckchem.com/products/GDC-0449.html

>  <CAS Number> (49)
879085-55-9

$$$$
Brivanib.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (50)
60

>  <Formula> (50)
C19H19FN4O3

>  <MolWeight> (50)
370.3775632

>  <Item Name> (50)
Brivanib (BMS-540215)

>  <Catalog Number> (50)
S1084

>  <Synonyms> (50)
N/A 

>  <Target> (50)
VEGFR, FGFR

>  <Form> (50)
Free Base

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

>  <CAS Number> (50)
649735-46-6

$$$$
untitled.cdx
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69

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C19H21FN3O5P

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Rucaparib (AG-014699,PF-01367338) phosphate

>  <Catalog Number> (59)
S1098

>  <Synonyms> (59)
AG-014447 

>  <Target> (59)
PARP 

>  <Form> (59)
Phosphate

>  <URL> (59)
http://www.selleckchem.com/products/AG-014699.html

>  <CAS Number> (59)
459868-92-9

$$$$
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>  <Mol_ID> (60)
70

>  <Formula> (60)
C25H15ClF2N4O2

>  <MolWeight> (60)
476.8620064

>  <Item Name> (60)
MLN8054

>  <Catalog Number> (60)
S1100

>  <Synonyms> (60)
N/A

>  <Target> (60)
Aurora Kinase

>  <Form> (60)
Free Base

>  <URL> (60)
http://www.selleckchem.com/products/MLN8054.html

>  <CAS Number> (60)
869363-13-3

$$$$
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>  <Mol_ID> (61)
71

>  <Formula> (61)
C20H17Cl3N4

>  <MolWeight> (61)
419.73478

>  <Item Name> (61)
Vatalanib (PTK787) 2HCl

>  <Catalog Number> (61)
S1101

>  <Synonyms> (61)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (61)
VEGFR, c-Kit, Flt

>  <Form> (61)
Dihydrochloride

>  <URL> (61)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

>  <CAS Number> (61)
212141-51-0

$$$$
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>  <Mol_ID> (62)
72

>  <Formula> (62)
C29H31N5O4

>  <MolWeight> (62)
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>  <Item Name> (62)
ZM-447439

>  <Catalog Number> (62)
S1103

>  <Synonyms> (62)
N/A

>  <Target> (62)
Aurora Kinase

>  <Form> (62)
Free Base

>  <URL> (62)
http://www.selleckchem.com/products/ZM-447439.html

>  <CAS Number> (62)
331771-20-1

$$$$

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>  <URL> (67)
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>  <Mol_ID> (75)
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C53H83NO14

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>  <Item Name> (75)
Everolimus (RAD001)

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S1120

>  <Synonyms> (75)
Certican, Zortress, Afinitor

>  <Target> (75)
mTOR

>  <Form> (75)
Free Base

>  <URL> (75)
http://www.selleckchem.com/products/Everolimus(RAD001).html

>  <CAS Number> (75)
159351-69-6

$$$$
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>  <Mol_ID> (76)
88

>  <Formula> (76)
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>  <Synonyms> (76)
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>  <Target> (76)
Bcl-2 

>  <Form> (76)
Free Base

>  <URL> (76)
http://www.selleckchem.com/products/TW-37.html

>  <CAS Number> (76)
877877-35-5

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1028486-01-2

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Others

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Free Base

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

>  <CAS Number> (82)
59937-28-9 

$$$$
untitled.cdx
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99

>  <Formula> (83)
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>  <Item Name> (83)
Andarine (GTX-007)

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S1140

>  <Synonyms> (83)
GTX-007

>  <Target> (83)
Androgen Receptor 

>  <Form> (83)
Free Base

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

>  <CAS Number> (83)
401900-40-1

$$$$
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>  <Mol_ID> (84)
100

>  <Formula> (84)
C31H43N3O8

>  <MolWeight> (84)
585.68842

>  <Item Name> (84)
17-AAG (Tanespimycin)

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S1141

>  <Synonyms> (84)
N/A 

>  <Target> (84)
HSP

>  <Form> (84)
Free Base

>  <URL> (84)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

>  <CAS Number> (84)
75747-14-7

$$$$

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>  <Mol_ID> (85)
101

>  <Formula> (85)
C22H24FN5O4

>  <MolWeight> (85)
441.4554632

>  <Item Name> (85)
Brivanib alaninate (BMS-582664)

>  <Catalog Number> (85)
S1138 

>  <Synonyms> (85)
N/A 

>  <Target> (85)
VEGFR, FGFR

>  <Form> (85)
Alaninate

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

>  <CAS Number> (85)
649735-63-7

$$$$
17-DMAG.cdx
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102

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17-DMAG HCl (Alvespimycin)

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S1142

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NSC 707545 

>  <Target> (86)
HSP

>  <Form> (86)
Hydrochloride

>  <URL> (86)
http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

>  <CAS Number> (86)
467214-21-7

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AG-490.cdx
csChFnd80/07171813082D

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103

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S1143

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N/A

>  <Target> (87)
JAK, EGFR

>  <Form> (87)
Free Base

>  <URL> (87)
http://www.selleckchem.com/products/AG-490.html

>  <CAS Number> (87)
133550-30-8 

$$$$
VX770.cdx
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>  <Mol_ID> (88)
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>  <Formula> (88)
C24H28N2O3

>  <MolWeight> (88)
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>  <Item Name> (88)
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N/A

>  <Target> (88)
CFTR

>  <Form> (88)
Free Base

>  <URL> (88)
http://www.selleckchem.com/products/VX-770.html

>  <CAS Number> (88)
873054-44-5

$$$$
untitled.cdx
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105

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BMS-387032

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CDK 

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>  <URL> (89)
http://www.selleckchem.com/products/SNS-032.html

>  <CAS Number> (89)
345627-80-7

$$$$
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Barasertib (AZD1152-HQPA)

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AZD1152 

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Aurora Kinase

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Free Base

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http://www.selleckchem.com/products/AZD1152-HQPA.html

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722544-51-6

$$$$
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csChFnd80/07171813082D

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Gemzar

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DNA/RNA Synthesis

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Hydrochloride

>  <URL> (91)
http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

>  <CAS Number> (91)
122111-03-9

$$$$
Paclitaxel.cdx
csChFnd80/07171813082D

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S1150

>  <Synonyms> (92)
N/A 

>  <Target> (92)
Microtubule Associated

>  <Form> (92)
Free Base

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

>  <CAS Number> (92)
33069-62-4

$$$$
untitled.cdx
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>  <Synonyms> (93)
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>  <Target> (93)
Raf 

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Free Base

>  <URL> (93)
http://www.selleckchem.com/products/PLX-4720.html

>  <CAS Number> (93)
918505-84-7

$$$$
untitled.cdx
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S1153

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N/A 

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CDK 

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Free Base

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

>  <CAS Number> (94)
186692-46-6 

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csChFnd80/07171813082D

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113

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C19H19ClN6O4S3

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SNS-314 Mesylate

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S1154

>  <Synonyms> (95)
N/A

>  <Target> (95)
Aurora Kinase

>  <Form> (95)
Mesylate

>  <URL> (95)
http://www.selleckchem.com/products/SNS-314.html

>  <CAS Number> (95)
1146618-41-8

$$$$
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>  <Mol_ID> (96)
114

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C16H15NO7S

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S1155

>  <Synonyms> (96)
N/A 

>  <Target> (96)
STAT

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/S31-201.html

>  <CAS Number> (96)
501919-59-1

$$$$
Capecitabine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (97)
115

>  <Formula> (97)
C15H22FN3O6

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>  <Item Name> (97)
Capecitabine (Xeloda)

>  <Catalog Number> (97)
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>  <Synonyms> (97)
Captabin 

>  <Target> (97)
DNA/RNA Synthesis

>  <Form> (97)
Free Base

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

>  <CAS Number> (97)
154361-50-9

$$$$
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663619-89-4

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c-Kit, Raf, VEGFR

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755037-03-7

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EGFR

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1214265-57-2

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Tartaric Acid 

>  <URL> (111)
http://www.selleckchem.com/products/ENMD-2076.html

>  <CAS Number> (111)
934353-76-1

$$$$
Danoprevir (RG7227,ITMN-191,RO5190591).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (112)
131

>  <Formula> (112)
C35H46FN5O9S

>  <MolWeight> (112)
731.8312432

>  <Item Name> (112)
Danoprevir (ITMN-191)

>  <Catalog Number> (112)
S1183

>  <Synonyms> (112)
RG7227, ITMN-191, RO5190591

>  <Target> (112)
Proteasome, HCV Protease

>  <Form> (112)
Free Base

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

>  <CAS Number> (112)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

$$$$
Ritonavir.cdx
csChFnd80/07171813082D

 50 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (113)
132

>  <Formula> (113)
C37H48N6O5S2

>  <MolWeight> (113)
720.94422

>  <Item Name> (113)
Ritonavir

>  <Catalog Number> (113)
S1185

>  <Synonyms> (113)
Norvir, Norvir Softgel

>  <Target> (113)
HIV Protease

>  <Form> (113)
Free Base

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

>  <CAS Number> (113)
155213-67-5

$$$$
Ostarine(MK-2866).cdx
csChFnd80/07171813082D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (114)
133

>  <Formula> (114)
C19H14F3N3O3

>  <MolWeight> (114)
389.3279696

>  <Item Name> (114)
MK-2866 (GTx-024)

>  <Catalog Number> (114)
S1174

>  <Synonyms> (114)
Enobosarm, ostarine

>  <Target> (114)
Androgen Receptor

>  <Form> (114)
Free Base

>  <URL> (114)
http://www.selleckchem.com/products/Ostarine.html

>  <CAS Number> (114)
841205-47-8

$$$$
BIBR1532.cdx
csChFnd80/07171813082D

 25 27  0  0  0  0  0  0  0  0999 V2000
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134

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C21H17NO3

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S1186

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N/A

>  <Target> (115)
Telomerase

>  <Form> (115)
Free Base

>  <URL> (115)
http://www.selleckchem.com/products/BIBR1532.html

>  <CAS Number> (115)
321674-73-1

$$$$
Anastrozole.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (116)
136

>  <Formula> (116)
C17H19N5

>  <MolWeight> (116)
293.36626

>  <Item Name> (116)
Anastrozole

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S1188

>  <Synonyms> (116)
Arimidex 

>  <Target> (116)
Aromatase

>  <Form> (116)
Free Base

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

>  <CAS Number> (116)
120511-73-1

$$$$
Aprepitant.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (117)
137

>  <Formula> (117)
C23H21F7N4O3

>  <MolWeight> (117)
534.4266624

>  <Item Name> (117)
Aprepitant (MK-0869)

>  <Catalog Number> (117)
S1189

>  <Synonyms> (117)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (117)
Substance P

>  <Form> (117)
Free Base

>  <URL> (117)
http://www.selleckchem.com/products/Aprepitant.html

>  <CAS Number> (117)
170729-80-3

$$$$
bicalutamide.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (118)
138

>  <Formula> (118)
C18H14F4N2O4S

>  <MolWeight> (118)
430.3733728

>  <Item Name> (118)
Bicalutamide (Casodex)

>  <Catalog Number> (118)
S1190

>  <Synonyms> (118)
N/A 

>  <Target> (118)
Androgen Receptor, P450

>  <Form> (118)
Free Base

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

>  <CAS Number> (118)
90357-06-5

$$$$
Fulvestrant.cdx
csChFnd80/07171813082D

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N/A 

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Estrogen/progestogen Receptor

>  <Form> (119)
Free Base

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

>  <CAS Number> (119)
129453-61-8

$$$$
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S1192 

>  <Synonyms> (120)
N/A 

>  <Target> (120)
DNA/RNA Synthesis

>  <Form> (120)
Free Base

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

>  <CAS Number> (120)
112887-68-0

$$$$
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HDAC, EGFR, HER2

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Free Base

>  <URL> (121)
http://www.selleckchem.com/products/CUDC-101.html

>  <CAS Number> (121)
1012054-59-9

$$$$
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>  <Mol_ID> (122)
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Aromasin

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Aromatase

>  <Form> (122)
Free Base

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

>  <CAS Number> (122)
107868-30-4

$$$$
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    8.2755    1.2147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.3906    3.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  9  1  6  0  0  0
M  END
>  <Mol_ID> (123)
144

>  <Formula> (123)
C10H12ClN5O3

>  <MolWeight> (123)
285.68698

>  <Item Name> (123)
Cladribine

>  <Catalog Number> (123)
S1199

>  <Synonyms> (123)
Leustatin

>  <Target> (123)
DNA/RNA Synthesis

>  <Form> (123)
Free Base

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

>  <CAS Number> (123)
4291-63-8

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/07171813082D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2124    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (124)
145

>  <Formula> (124)
C8H12N4O4

>  <MolWeight> (124)
228.20528

>  <Item Name> (124)
Decitabine

>  <Catalog Number> (124)
S1200

>  <Synonyms> (124)
Dacogen

>  <Target> (124)
DNA/RNA Synthesis

>  <Form> (124)
Free Base

>  <URL> (124)
http://www.selleckchem.com/products/Decitabine.html

>  <CAS Number> (124)
2353-33-5

$$$$
Dutasteride.cdx
csChFnd80/07171813082D

 41 45  0  0  0  0  0  0  0  0999 V2000
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    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  0  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
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   12.0596    9.5835    0.0000 F   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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 27 22  1  0  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
 24 32  1  0  0  0  0
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 32 35  1  0  0  0  0
 17 19  1  1  0  0  0
 12 36  1  1  0  0  0
  9 37  1  1  0  0  0
  5 38  1  1  0  0  0
  4 39  1  6  0  0  0
 10 40  1  6  0  0  0
 11 41  1  6  0  0  0
M  END
>  <Mol_ID> (125)
146

>  <Formula> (125)
C27H30F6N2O2

>  <MolWeight> (125)
528.5297192

>  <Item Name> (125)
Dutasteride

>  <Catalog Number> (125)
S1202

>  <Synonyms> (125)
Avodart

>  <Target> (125)
5-alpha Reductase

>  <Form> (125)
Free Base

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

>  <CAS Number> (125)
164656-23-9

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/07171813082D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.3676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9646    5.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    7.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    8.2003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6701    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (126)
147

>  <Formula> (126)
C16H15BrClN5O4S

>  <MolWeight> (126)
488.7434

>  <Item Name> (126)
PIK-75 

>  <Catalog Number> (126)
S1205

>  <Synonyms> (126)
N/A

>  <Target> (126)
PI3K, DNA-PK

>  <Form> (126)
Hydrochloride

>  <URL> (126)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

>  <CAS Number> (126)
372196-77-5

$$$$
AV-951.cdx
csChFnd80/07171813082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (127)
148

>  <Formula> (127)
C22H19ClN4O5

>  <MolWeight> (127)
454.86306

>  <Item Name> (127)
Tivozanib (AV-951)

>  <Catalog Number> (127)
S1207

>  <Synonyms> (127)
N/A 

>  <Target> (127)
VEGFR, c-Kit, PDGFR

>  <Form> (127)
Free Base

>  <URL> (127)
http://www.selleckchem.com/products/AV-951.html

>  <CAS Number> (127)
475108-18-0

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (128)
149

>  <Formula> (128)
C27H30ClNO11

>  <MolWeight> (128)
579.9802

>  <Item Name> (128)
Doxorubicin (Adriamycin) HCl

>  <Catalog Number> (128)
S1208

>  <Synonyms> (128)
N/A 

>  <Target> (128)
Topoisomerase

>  <Form> (128)
Hydrochloride

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

>  <CAS Number> (128)
25316-40-9

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/07171813082D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (129)
150

>  <Formula> (129)
C4H3FN2O2

>  <MolWeight> (129)
130.0772232

>  <Item Name> (129)
Adrucil (Fluorouracil)

>  <Catalog Number> (129)
S1209

>  <Synonyms> (129)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (129)
DNA/RNA Synthesis

>  <Form> (129)
Free Base

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

>  <CAS Number> (129)
51-21-8

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (130)
151

>  <Formula> (130)
C20H22N8O5

>  <MolWeight> (130)
454.43928

>  <Item Name> (130)
Abitrexate (Methotrexate)

>  <Catalog Number> (130)
S1210

>  <Synonyms> (130)
Methotrexate, Rheumatrex, Trexall

>  <Target> (130)
DHFR

>  <Form> (130)
Free Base

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

>  <CAS Number> (130)
59-05-2

$$$$
Imiquimod.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (131)
152

>  <Formula> (131)
C14H16N4

>  <MolWeight> (131)
240.30364

>  <Item Name> (131)
Imiquimod

>  <Catalog Number> (131)
S1211

>  <Synonyms> (131)
Aldara

>  <Target> (131)
Immunology & Inflammation related

>  <Form> (131)
Free Base

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

>  <CAS Number> (131)
99011-02-6

$$$$
Bendamustine Hydrochloride.cdx
csChFnd80/07171813082D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (132)
153

>  <Formula> (132)
C16H22Cl3N3O2

>  <MolWeight> (132)
394.72378

>  <Item Name> (132)
Bendamustine HCL 

>  <Catalog Number> (132)
S1212

>  <Synonyms> (132)
Ribomustin, Treanda, SDX-105

>  <Target> (132)
DNA/RNA Synthesis

>  <Form> (132)
Hydrochloride

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

>  <CAS Number> (132)
3543-75-7

$$$$
Arranon (Nelarabine).cdx
csChFnd80/07171813082D

 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> (133)
154

>  <Formula> (133)
C11H15N5O5

>  <MolWeight> (133)
297.2673

>  <Item Name> (133)
Nelarabine (Arranon)

>  <Catalog Number> (133)
S1213

>  <Synonyms> (133)
Arranon

>  <Target> (133)
DNA/RNA Synthesis 

>  <Form> (133)
Free Base

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

>  <CAS Number> (133)
121032-29-9

$$$$
Carboplatin.cdx
csChFnd80/07171813082D

 13 10  0  0  0  0  0  0  0  0999 V2000
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    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
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    3.9875    3.6331    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    6.0851    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0674    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774    3.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3617    2.4207    0.0000 N   0  0  0  0  0  0  0  0  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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M  END
>  <Mol_ID> (134)
156

>  <Formula> (134)
C6H12N2O4Pt

>  <MolWeight> (134)
371.24848

>  <Item Name> (134)
Carboplatin

>  <Catalog Number> (134)
S1215

>  <Synonyms> (134)
Paraplatin

>  <Target> (134)
DNA/RNA Synthesis

>  <Form> (134)
Free Base

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

>  <CAS Number> (134)
41575-94-4

$$$$
Clofarabine.cdx
csChFnd80/07171813082D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    5.7875    6.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3957    3.5921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (135)
157

>  <Formula> (135)
C10H11ClFN5O3

>  <MolWeight> (135)
303.6774432

>  <Item Name> (135)
Clofarabine

>  <Catalog Number> (135)
S1218

>  <Synonyms> (135)
Clolar, Evoltra

>  <Target> (135)
DNA/RNA Synthesis

>  <Form> (135)
Free Base

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

>  <CAS Number> (135)
123318-82-1

$$$$
OSI-930.cdx
csChFnd80/07171813082D

 31 34  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> (136)
158

>  <Formula> (136)
C22H16F3N3O2S

>  <MolWeight> (136)
443.4415496

>  <Item Name> (136)
OSI-930

>  <Catalog Number> (136)
S1220

>  <Synonyms> (136)
N/A

>  <Target> (136)
c-Kit, VEGFR

>  <Form> (136)
Free Base

>  <URL> (136)
http://www.selleckchem.com/products/OSI-930.html

>  <CAS Number> (136)
728033-96-3

$$$$
Dexrazoxane Hydrochloride.cdx
csChFnd80/07171813082D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (137)
159

>  <Formula> (137)
C11H17ClN4O4

>  <MolWeight> (137)
304.73008

>  <Item Name> (137)
Dexrazoxane Hydrochloride

>  <Catalog Number> (137)
S1222

>  <Synonyms> (137)
Totect, ICRF-187, Zinecard, Cardioxane

>  <Target> (137)
Others

>  <Form> (137)
Hydrochloride

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

>  <CAS Number> (137)
149003-01-0

$$$$
Ellence (Epirubicin Hydrochloride).cdx
csChFnd80/07171813082D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (138)
160

>  <Formula> (138)
C27H30ClNO11

>  <MolWeight> (138)
579.9802

>  <Item Name> (138)
Epirubicin Hydrochloride

>  <Catalog Number> (138)
S1223

>  <Synonyms> (138)
Ellence, Pharmorubicin, Epirubicin Ebewe

>  <Target> (138)
Topoisomerase 

>  <Form> (138)
Hydrochloride

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

>  <CAS Number> (138)
56390-09-1

$$$$
Eloxatin (Oxaliplatin).cdx
csChFnd80/07171813082D

 15 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (139)
161

>  <Formula> (139)
C8H14N2O4Pt

>  <MolWeight> (139)
397.28576

>  <Item Name> (139)
Oxaliplatin (Eloxatin)

>  <Catalog Number> (139)
S1224

>  <Synonyms> (139)
Eloxatin

>  <Target> (139)
DNA/RNA Synthesis 

>  <Form> (139)
Free Base

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

>  <CAS Number> (139)
61825-94-3

$$$$
Etoposide.cdx
csChFnd80/07171813082D

 47 53  0  0  0  0  0  0  0  0999 V2000
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  2 30  1  6  0  0  0
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 31 32  1  0  0  0  0
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M  END
>  <Mol_ID> (140)
162

>  <Formula> (140)
C29H32O13

>  <MolWeight> (140)
588.55658

>  <Item Name> (140)
Etoposide (VP-16)
Etoposide

>  <Catalog Number> (140)
S1225

>  <Synonyms> (140)
Vepesid 

>  <Target> (140)
Topoisomerase

>  <Form> (140)
Free Base

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

>  <CAS Number> (140)
33419-42-0

$$$$
KU-0063794.cdx
csChFnd80/07171813082D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (141)
163

>  <Formula> (141)
C25H31N5O4

>  <MolWeight> (141)
465.54474

>  <Item Name> (141)
Ku-0063794

>  <Catalog Number> (141)
S1226

>  <Synonyms> (141)
N/A

>  <Target> (141)
mTOR 

>  <Form> (141)
Free Base

>  <URL> (141)
http://www.selleckchem.com/products/KU-0063794.html

>  <CAS Number> (141)
938440-64-3

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/07171813082D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (142)
164

>  <Formula> (142)
C28H28ClNO4S

>  <MolWeight> (142)
510.04422

>  <Item Name> (142)
Evista (Raloxifene Hydrochloride)

>  <Catalog Number> (142)
S1227

>  <Synonyms> (142)
Raloxifene Hydrochloride, keoxifene

>  <Target> (142)
Estrogen/progestogen Receptor

>  <Form> (142)
Hydrochloride

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

>  <CAS Number> (142)
82640-04-8

$$$$
Idarubicin Hydrochloride.cdx
csChFnd80/07171813082D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (143)
165

>  <Formula> (143)
C26H28ClNO9

>  <MolWeight> (143)
533.95482

>  <Item Name> (143)
Idarubicin HCl

>  <Catalog Number> (143)
S1228

>  <Synonyms> (143)
Idamycin, Zavedos, 4-demethoxydaunorubicin 

>  <Target> (143)
Topoisomerase

>  <Form> (143)
Hydrochloride

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

>  <CAS Number> (143)
57852-57-0

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (144)
166

>  <Formula> (144)
C10H13FN5O7P

>  <MolWeight> (144)
365.2116842

>  <Item Name> (144)
Fludarabine Phosphate (Fludara)

>  <Catalog Number> (144)
S1229

>  <Synonyms> (144)
N/A 

>  <Target> (144)
DNA/RNA Synthesis

>  <Form> (144)
Phosphate

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

>  <CAS Number> (144)
75607-67-9

$$$$
Topotecan.cdx
csChFnd80/07171813082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (145)
167

>  <Formula> (145)
C23H24ClN3O5

>  <MolWeight> (145)
457.90676

>  <Item Name> (145)
Topotecan HCl

>  <Catalog Number> (145)
S1231

>  <Synonyms> (145)
Hycamtin, NSC 609699

>  <Target> (145)
Topoisomerase 

>  <Form> (145)
Hydrochloride

>  <URL> (145)
http://www.selleckchem.com/products/Topotecan-Hydrochloride.html

>  <CAS Number> (145)
119413-54-6

$$$$
2-Methoxyestradiol.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (146)
168

>  <Formula> (146)
C19H26O3

>  <MolWeight> (146)
302.40794

>  <Item Name> (146)
2-Methoxyestradiol

>  <Catalog Number> (146)
S1233

>  <Synonyms> (146)
2-ME2

>  <Target> (146)
HIF

>  <Form> (146)
Free Base

>  <URL> (146)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (146)
362-07-2

$$$$
Letrozole.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (147)
169

>  <Formula> (147)
C17H11N5

>  <MolWeight> (147)
285.30274

>  <Item Name> (147)
Letrozole

>  <Catalog Number> (147)
S1235

>  <Synonyms> (147)
Femara, Piroxicam 

>  <Target> (147)
Aromatase 

>  <Form> (147)
Free Base

>  <URL> (147)
http://www.selleckchem.com/products/Letrozole.html

>  <CAS Number> (147)
112809-51-5

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/07171813082D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
170

>  <Formula> (148)
C6H6N6O2

>  <MolWeight> (148)
194.15084

>  <Item Name> (148)
Temozolomide

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S1237

>  <Synonyms> (148)
Methazolastone, Temodar, Temodal

>  <Target> (148)
DNA/RNA Synthesis

>  <Form> (148)
Free Base

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

>  <CAS Number> (148)
85622-93-1

$$$$
Agomelatine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (149)
171

>  <Formula> (149)
C15H17NO2

>  <MolWeight> (149)
243.30098

>  <Item Name> (149)
Agomelatine

>  <Catalog Number> (149)
S1243

>  <Synonyms> (149)
Valdoxan, Melitor, Thymanax

>  <Target> (149)
5-HT Receptor

>  <Form> (149)
Free Base

>  <URL> (149)
http://www.selleckchem.com/products/Agomelatine.html

>  <CAS Number> (149)
138112-76-2

$$$$
MP-470.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (150)
172

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C23H21N5O3S

>  <MolWeight> (150)
447.50954

>  <Item Name> (150)
Amuvatinib (MP-470)

>  <Catalog Number> (150)
S1244

>  <Synonyms> (150)
N/A 

>  <Target> (150)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (150)
Free Base

>  <URL> (150)
http://www.selleckchem.com/products/MP-470.html

>  <CAS Number> (150)
850879-09-3

$$$$
leflunomide.cdx
csChFnd80/07171813082D

 19 20  0  0  0  0  0  0  0  0999 V2000
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Arava

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Dehydrogenase

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Free Base

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

>  <CAS Number> (151)
75706-12-6

$$$$
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csChFnd80/07171813082D

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JNJ-7706621

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S1249

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N/A 

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CDK, Aurora Kinase

>  <Form> (152)
Free Base

>  <URL> (152)
http://www.selleckchem.com/products/JNJ-7706621.html

>  <CAS Number> (152)
443797-96-4

$$$$
MDV3100.cdx
csChFnd80/07171813082D

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175

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MDV3100 (Enzalutamide)

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N/A 

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Androgen Receptor, P450

>  <Form> (153)
Free Base

>  <URL> (153)
http://www.selleckchem.com/products/MDV3100.html

>  <CAS Number> (153)
915087-33-1

$$$$
Dienogest.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (154)
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Natazia

>  <Target> (154)
Estrogen/progestogen Receptor

>  <Form> (154)
Free Base

>  <URL> (154)
http://www.selleckchem.com/products/Dienogest.html

>  <CAS Number> (154)
65928-58-7

$$$$
nepafenac.cdx
csChFnd80/07171813082D

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COX

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Free Base

>  <URL> (155)
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>  <CAS Number> (155)
78281-72-8

$$$$
Posaconazole.cdx
csChFnd80/07171813082D

 51 57  0  0  0  0  0  0  0  0999 V2000
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C37H42F2N8O4

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Posaconazole

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SCH56592

>  <Target> (156)
P450 (e.g. CYP17)

>  <Form> (156)
Free Base

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

>  <CAS Number> (156)
171228-49-2

$$$$
Ramelteon.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (157)
180

>  <Formula> (157)
C16H21NO2

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259.34344

>  <Item Name> (157)
Ramelteon

>  <Catalog Number> (157)
S1259

>  <Synonyms> (157)
TAK-375

>  <Target> (157)
MT Receptor

>  <Form> (157)
Free Base

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

>  <CAS Number> (157)
196597-26-9

$$$$
s4261.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (158)
181

>  <Formula> (158)
C18H18ClMnN2O4

>  <MolWeight> (158)
416.737569

>  <Item Name> (158)
EUK 134

>  <Catalog Number> (158)
S4261

>  <Synonyms> (158)
N/A

>  <Target> (158)
Beta Amyloid

>  <Form> (158)
Complex

>  <URL> (158)
http://www.selleckchem.com/products/euk-134.html

>  <CAS Number> (158)
81065-76-1

$$$$
S1037.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (159)
182

>  <Formula> (159)
C25H52NO4P

>  <MolWeight> (159)
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>  <Item Name> (159)
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S1037

>  <Synonyms> (159)
NSC639966

>  <Target> (159)
Akt

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Free Base

>  <URL> (159)
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>  <CAS Number> (159)
157716-52-4

$$$$
Cinacalcet Hydrochloride.cdx
csChFnd80/07171813082D

 28 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (160)
183

>  <Formula> (160)
C22H23ClF3N

>  <MolWeight> (160)
393.8729296

>  <Item Name> (160)
AMG-073 HCl (Cinacalcet hydrochloride)

>  <Catalog Number> (160)
S1260

>  <Synonyms> (160)
Mimpara, Sensipar

>  <Target> (160)
CaSR

>  <Form> (160)
Hydrochloride

>  <URL> (160)
http://www.selleckchem.com/products/Cinacalcet-hydrochloride.html

>  <CAS Number> (160)
364782-34-3

$$$$
Celecoxib.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (161)
184

>  <Formula> (161)
C17H14F3N3O2S

>  <MolWeight> (161)
381.3721696

>  <Item Name> (161)
Celecoxib

>  <Catalog Number> (161)
S1261

>  <Synonyms> (161)
Celebrex, Celebra 

>  <Target> (161)
COX

>  <Form> (161)
Free Base

>  <URL> (161)
http://www.selleckchem.com/products/Celecoxib.html

>  <CAS Number> (161)
169590-42-5

$$$$
BMS-708163.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (162)
185

>  <Formula> (162)
C20H17ClF4N4O4S

>  <MolWeight> (162)
520.8849928

>  <Item Name> (162)
BMS-708163 (Avagacestat)

>  <Catalog Number> (162)
S1262

>  <Synonyms> (162)
N/A 

>  <Target> (162)
Gamma-secretase

>  <Form> (162)
Free Base

>  <URL> (162)
http://www.selleckchem.com/products/BMS-708163.html

>  <CAS Number> (162)
1146699-66-2

$$$$
PD173074.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (163)
186

>  <Formula> (163)
C28H41N7O3

>  <MolWeight> (163)
523.67024

>  <Item Name> (163)
PD173074

>  <Catalog Number> (163)
S1264

>  <Synonyms> (163)
N/A

>  <Target> (163)
FGFR, VEGFR

>  <Form> (163)
Free Base

>  <URL> (163)
http://www.selleckchem.com/products/PD-173074.html

>  <CAS Number> (163)
219580-11-7

$$$$
WYE-354.cdx
csChFnd80/07171813082D

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C24H29N7O5

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S1266

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N/A

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mTOR 

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Free Base

>  <URL> (164)
http://www.selleckchem.com/products/WYE-354.html

>  <CAS Number> (164)
1062169-56-5

$$$$
PLX-4032.cdx
csChFnd80/07171813082D

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188

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Vemurafenib (PLX4032, RG7204)

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S1267

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RO5185426

>  <Target> (165)
Raf 

>  <Form> (165)
Free Base

>  <URL> (165)
http://www.selleckchem.com/products/PLX-4032.html

>  <CAS Number> (165)
918504-65-1

$$$$
Adapalene.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (166)
190

>  <Formula> (166)
C28H28O3

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S1276

>  <Synonyms> (166)
Differin

>  <Target> (166)
Retinoid Receptor

>  <Form> (166)
Free Base

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

>  <CAS Number> (166)
106685-40-9

$$$$
Altretamine.cdx
csChFnd80/07171813082D

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191

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C9H18N6

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210.27942

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Altretamine (Hexalen)

>  <Catalog Number> (167)
S1278

>  <Synonyms> (167)
Hexalen

>  <Target> (167)
DNA alkylator

>  <Form> (167)
Free Base

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

>  <CAS Number> (167)
645-05-6

$$$$
Amisulpride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (168)
192

>  <Formula> (168)
C17H27N3O4S

>  <MolWeight> (168)
369.47898

>  <Item Name> (168)
Amisulpride

>  <Catalog Number> (168)
S1280

>  <Synonyms> (168)
Solian

>  <Target> (168)
Dopamine Receptor

>  <Form> (168)
Free Base

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

>  <CAS Number> (168)
71675-85-9

$$$$
Aniracetam.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (169)
193

>  <Formula> (169)
C12H13NO3

>  <MolWeight> (169)
219.23652

>  <Item Name> (169)
Aniracetam

>  <Catalog Number> (169)
S1281

>  <Synonyms> (169)
Draganon, Sarpul, Ampamet

>  <Target> (169)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (169)
Free Base

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

>  <CAS Number> (169)
72432-10-1

$$$$
Asenapine maleate.cdx
csChFnd80/07171813082D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (170)
194

>  <Formula> (170)
C21H20ClNO5

>  <MolWeight> (170)
401.8402

>  <Item Name> (170)
Asenapine maleate

>  <Catalog Number> (170)
S1283

>  <Synonyms> (170)
Saphris

>  <Target> (170)
Adrenergic Receptor, 5-HT Receptor

>  <Form> (170)
Maleate

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

>  <CAS Number> (170)
65576-45-6, 135883-08-8 (Maleic acid)

$$$$
Benazepril hydrochloride.cdx
csChFnd80/07171813082D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (171)
195

>  <Formula> (171)
C24H29ClN2O5

>  <MolWeight> (171)
460.95046

>  <Item Name> (171)
Benazepril hydrochloride

>  <Catalog Number> (171)
S1284

>  <Synonyms> (171)
Lotensin

>  <Target> (171)
RAAS

>  <Form> (171)
Hydrochloride

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

>  <CAS Number> (171)
86541-74-4

$$$$
Budesonide.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (172)
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C25H34O6

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S1286

>  <Synonyms> (172)
N/A

>  <Target> (172)
Glucocorticoid Receptor

>  <Form> (172)
Free Base

>  <URL> (172)
http://www.selleckchem.com/products/Budesonide.html

>  <CAS Number> (172)
51333-22-3

$$$$
Bumetanide.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (173)
198

>  <Formula> (173)
C17H20N2O5S

>  <MolWeight> (173)
364.4161

>  <Item Name> (173)
Bumetanide

>  <Catalog Number> (173)
S1287

>  <Synonyms> (173)
Bumex

>  <Target> (173)
Others

>  <Form> (173)
Free Base

>  <URL> (173)
http://www.selleckchem.com/products/Bumetanide.html

>  <CAS Number> (173)
28395-03-1

$$$$
Carmofur.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (174)
199

>  <Formula> (174)
C11H16FN3O3

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257.2614432

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Carmofur

>  <Catalog Number> (174)
S1289

>  <Synonyms> (174)
HCFU

>  <Target> (174)
Antimetabolites

>  <Form> (174)
Free Base

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

>  <CAS Number> (174)
61422-45-5

$$$$
Celastrol.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (175)
200

>  <Formula> (175)
C29H38O4

>  <MolWeight> (175)
450.60962

>  <Item Name> (175)
Celastrol

>  <Catalog Number> (175)
S1290

>  <Synonyms> (175)
N/A

>  <Target> (175)
Proteasome

>  <Form> (175)
Free Base

>  <URL> (175)
http://www.selleckchem.com/products/Celastrol.html

>  <CAS Number> (175)
34157-83-0

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (176)
201

>  <Formula> (176)
C21H27Cl3N2O3

>  <MolWeight> (176)
461.80968

>  <Item Name> (176)
Cetirizine Dihydrochloride

>  <Catalog Number> (176)
S1291

>  <Synonyms> (176)
Zyrtec, Reactine

>  <Target> (176)
Histamine Receptor

>  <Form> (176)
Dihydrochloride

>  <URL> (176)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (176)
83881-52-1

$$$$
Cilnidipine.cdx
csChFnd80/07171813082D

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  8  9  2  0  0  0  0
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M  END
>  <Mol_ID> (177)
202

>  <Formula> (177)
C27H28N2O7

>  <MolWeight> (177)
492.52042

>  <Item Name> (177)
Cilnidipine

>  <Catalog Number> (177)
S1293

>  <Synonyms> (177)
FRC 8653 

>  <Target> (177)
Calcium Channel

>  <Form> (177)
Free Base

>  <URL> (177)
http://www.selleckchem.com/products/Cilnidipine.html

>  <CAS Number> (177)
132203-70-4

$$$$
Camptothecine.cdx
csChFnd80/07171813082D

 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
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   10.1741    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1359    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5664    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  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
 10 11  2  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  9  1  0  0  0  0
  2 15  2  0  0  0  0
  3 16  1  1  0  0  0
 16 17  1  0  0  0  0
  3 18  1  6  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 22 13  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (178)
203

>  <Formula> (178)
C20H16N2O4

>  <MolWeight> (178)
348.35204

>  <Item Name> (178)
Camptothecin

>  <Catalog Number> (178)
S1288

>  <Synonyms> (178)
N/A

>  <Target> (178)
Topoisomerase

>  <Form> (178)
Free Base

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

>  <CAS Number> (178)
7689-03-4

$$$$
DIETHYLSTILBESTROL (diethylstilbestrol).cdx
csChFnd80/07171813082D

 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
    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
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    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 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> (179)
204

>  <Formula> (179)
C18H20O2

>  <MolWeight> (179)
268.3502

>  <Item Name> (179)
Diethylstilbestrol

>  <Catalog Number> (179)
S1859

>  <Synonyms> (179)
Stilbestrol

>  <Target> (179)
Estrogen/progestogen Receptor

>  <Form> (179)
Free Base

>  <URL> (179)
http://www.selleckchem.com/products/Diethylstilbestrol(Stilbestrol).html

>  <CAS Number> (179)
56-53-1

$$$$
Diltiazem HCl.cdx
csChFnd80/07171813082D

 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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    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
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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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  5  9  1  1  0  0  0
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 14  9  1  0  0  0  0
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 28 29  2  0  0  0  0
 29  1  1  0  0  0  0
M  END
>  <Mol_ID> (180)
205

>  <Formula> (180)
C22H27ClN2O4S

>  <MolWeight> (180)
450.97878

>  <Item Name> (180)
Diltiazem HCl

>  <Catalog Number> (180)
S1865

>  <Synonyms> (180)
RG 83606 HCl

>  <Target> (180)
Calcium Channel 

>  <Form> (180)
Hydrochloride

>  <URL> (180)
http://www.selleckchem.com/products/Diltiazem-HCl(Tiazac).html

>  <CAS Number> (180)
33286-22-5 

$$$$
Diphenhydramine hydrochloride.cdx
csChFnd80/07171813082D

 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
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    6.0411    2.7976    0.0000 C   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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 14  1  0  0  0  0
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 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
M  END
>  <Mol_ID> (181)
206

>  <Formula> (181)
C17H22ClNO

>  <MolWeight> (181)
291.81568

>  <Item Name> (181)
Diphenhydramine HCl (Benadryl)

>  <Catalog Number> (181)
S1866

>  <Synonyms> (181)
Dimedrol

>  <Target> (181)
Histamine Receptor

>  <Form> (181)
Hydrochloride

>  <URL> (181)
http://www.selleckchem.com/products/Diphenhydramine-hydrochloride(Benadryl).html

>  <CAS Number> (181)
147-24-0 

$$$$
Dapoxetine hydrochloride.cdx
csChFnd80/07171813082D

 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
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    3.6289    9.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   10.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0364    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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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (182)
207

>  <Formula> (182)
C21H24ClNO

>  <MolWeight> (182)
341.87436

>  <Item Name> (182)
Dapoxetine hydrochloride (Priligy)

>  <Catalog Number> (182)
S1869

>  <Synonyms> (182)
Priligy, LY-210448 hydrochloride

>  <Target> (182)
5-HT Receptor

>  <Form> (182)
Hydrochloride

>  <URL> (182)
http://www.selleckchem.com/products/Dapoxetine-hydrochloride(Priligy).html

>  <CAS Number> (182)
129938-20-1

$$$$
Anagrelide hydrochloride.cdx
csChFnd80/07171813082D

 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
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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
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    7.3894    1.9882    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> (183)
208

>  <Formula> (183)
C10H8Cl3N3O

>  <MolWeight> (183)
292.54902

>  <Item Name> (183)
Anagrelide hydrochloride 

>  <Catalog Number> (183)
S3172

>  <Synonyms> (183)
N/A

>  <Target> (183)
PDE

>  <Form> (183)
Hydrochloride 

>  <URL> (183)
http://www.selleckchem.com/products/anagrelide-hydrochloride.html

>  <CAS Number> (183)
58579-51-4

$$$$
Antipyrine.cdx
csChFnd80/07171813082D

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.1449    1.3981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7961    4.7603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    0.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    2.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    2.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6260    1.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0716    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  2  0  0  0  0
  1  5  1  0  0  0  0
  3  6  2  0  0  0  0
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M  END
>  <Mol_ID> (184)
209

>  <Formula> (184)
C11H12N2O

>  <MolWeight> (184)
188.22578

>  <Item Name> (184)
Antipyrine

>  <Catalog Number> (184)
S3173

>  <Synonyms> (184)
N/A 

>  <Target> (184)
COX

>  <Form> (184)
Free Base

>  <URL> (184)
http://www.selleckchem.com/products/antipyrine.html

>  <CAS Number> (184)
60-80-0

$$$$
Felodipine.cdx
csChFnd80/07171813082D

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    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> (185)
210

>  <Formula> (185)
C18H19Cl2NO4

>  <MolWeight> (185)
384.25376

>  <Item Name> (185)
Felodipine (Plendil)

>  <Catalog Number> (185)
S1885

>  <Synonyms> (185)
Renedil, Feloday 

>  <Target> (185)
NULL

>  <Form> (185)
Free Base

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

>  <CAS Number> (185)
72509-76-3

$$$$
Deflazacort.cdx
csChFnd80/07171813082D

 36 40  0  0  0  0  0  0  0  0999 V2000
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  5 23  1  1  0  0  0
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 12 26  1  1  0  0  0
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M  END
>  <Mol_ID> (186)
211

>  <Formula> (186)
C25H31NO6

>  <MolWeight> (186)
441.51674

>  <Item Name> (186)
Deflazacort (Calcort)

>  <Catalog Number> (186)
S1888

>  <Synonyms> (186)
Cortax, Decortil, Deflanil

>  <Target> (186)
Glucocorticoid Receptor

>  <Form> (186)
Free Base

>  <URL> (186)
http://www.selleckchem.com/products/Deflazacor.html

>  <CAS Number> (186)
14484-47-0

$$$$
Nizatidine.cdx
csChFnd80/07171813082D

 21 21  0  0  0  0  0  0  0  0999 V2000
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    2.3893    6.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4893    8.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8893    8.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5893    9.2197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9893    9.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6893   10.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9893   11.6446    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.5893   11.6446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6893   12.8570    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.6893    8.0073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0893    8.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425    1.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7888    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  1  1  0  0  0  0
  2  6  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 19 20  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (187)
212

>  <Formula> (187)
C12H21N5O2S2

>  <MolWeight> (187)
331.45744

>  <Item Name> (187)
Nizatidine

>  <Catalog Number> (187)
S1890

>  <Synonyms> (187)
Axid

>  <Target> (187)
Histamine Receptor

>  <Form> (187)
Free Base

>  <URL> (187)
http://www.selleckchem.com/products/Nizatidine(Axid).html

>  <CAS Number> (187)
76963-41-2

$$$$
Oxibendazole.cdx
csChFnd80/07171813082D

 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
    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 O   0  0  0  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
   10.8073    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5073    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9024    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8097    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  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
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (188)
213

>  <Formula> (188)
C12H15N3O3

>  <MolWeight> (188)
249.2658

>  <Item Name> (188)
Oxibendazole

>  <Catalog Number> (188)
S1851

>  <Synonyms> (188)
N/A

>  <Target> (188)
Others

>  <Form> (188)
Free Base

>  <URL> (188)
http://www.selleckchem.com/products/oxibendazole.html

>  <CAS Number> (188)
20559-55-1

$$$$
Dyclonine hydrochloride.cdx
csChFnd80/07171813082D

 22 22  0  0  0  0  0  0  0  0999 V2000
    6.0411    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    2.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    4.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    4.1854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    6.2781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    4.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7696    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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  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  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
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (189)
214

>  <Formula> (189)
C18H28ClNO2

>  <MolWeight> (189)
325.87342

>  <Item Name> (189)
Dyclonine hydrochloride

>  <Catalog Number> (189)
S2041

>  <Synonyms> (189)
N/A

>  <Target> (189)
Sodium Channel

>  <Form> (189)
Hydrochloride

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

>  <CAS Number> (189)
536-43-6

$$$$
CARBILEV (carbidopa).cdx
csChFnd80/07171813082D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.5647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    3.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.6574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3538    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    1.3523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3914    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
  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
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  1  6  0  0  0
 10 15  1  1  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (190)
215

>  <Formula> (190)
C10H14N2O4

>  <MolWeight> (190)
226.22916

>  <Item Name> (190)
Carbidopa

>  <Catalog Number> (190)
S1891

>  <Synonyms> (190)
Lodosyn

>  <Target> (190)
Decarboxylase

>  <Form> (190)
Free Base

>  <URL> (190)
http://www.selleckchem.com/products/Carbidopa.html

>  <CAS Number> (190)
28860-95-9

$$$$
D-glutamine.cdx
csChFnd80/07171813082D

 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
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    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
    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
  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
  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> (191)
216

>  <Formula> (191)
C5H10N2O3

>  <MolWeight> (191)
146.1445

>  <Item Name> (191)
D-glutamine

>  <Catalog Number> (191)
S1893

>  <Synonyms> (191)
N/A

>  <Target> (191)
GluR

>  <Form> (191)
Free Base

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

>  <CAS Number> (191)
5959-95-5

$$$$
VALSARTAN (valsartan).cdx
csChFnd80/07171813082D

 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
    6.0411    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    3.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    5.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.5806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2781    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    5.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    7.6733    0.0000 C   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
    1.2082    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    5.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0193    6.4010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5867    7.7325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867    7.7325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7541    6.4010    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
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 16 17  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  4 22  1  0  0  0  0
  9 23  1  6  0  0  0
 22 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 22  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 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 29  2  0  0  0  0
M  END
>  <Mol_ID> (192)
217

>  <Formula> (192)
C24H29N5O3

>  <MolWeight> (192)
435.51876

>  <Item Name> (192)
Valsartan (Diovan)

>  <Catalog Number> (192)
S1894

>  <Synonyms> (192)
N/A 

>  <Target> (192)
RAAS

>  <Form> (192)
Free Base

>  <URL> (192)
http://www.selleckchem.com/products/Valsartan(Diovan).html

>  <CAS Number> (192)
137862-53-4

$$$$

csChFnd80/07171813082D

 36 39  0  0  0  0  0  0  0  0999 V2000
    3.6372    6.2999    0.0000 N   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
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0620    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (193)
218

>  <Formula> (193)
C24H40N8O4

>  <MolWeight> (193)
504.6256

>  <Item Name> (193)
Dipyridamole (Persantine)

>  <Catalog Number> (193)
S1895

>  <Synonyms> (193)
Permole

>  <Target> (193)
PDE

>  <Form> (193)
Free Base

>  <URL> (193)
http://www.selleckchem.com/products/Dipyridamole(Permole,-Persantine).html

>  <CAS Number> (193)
58-32-2

$$$$
Hydroxyurea.cdx
csChFnd80/07171813082D

  5  4  0  0  0  0  0  0  0  0999 V2000
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  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (194)
219

>  <Formula> (194)
CH4N2O2

>  <MolWeight> (194)
76.05466

>  <Item Name> (194)
Hydroxyurea (Cytodrox)

>  <Catalog Number> (194)
S1896

>  <Synonyms> (194)
Hydrea, Biosupressin

>  <Target> (194)
DNA/RNA Synthesis

>  <Form> (194)
Free Base

>  <URL> (194)
http://www.selleckchem.com/products/Hydroxyurea(Cytodrox).html

>  <CAS Number> (194)
127-07-1

$$$$
IOSAT (potassium iodide).cdx
csChFnd80/07171813082D

  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
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M  END
>  <Mol_ID> (195)
220

>  <Formula> (195)
IK

>  <MolWeight> (195)
166.00277

>  <Item Name> (195)
Potassium iodide

>  <Catalog Number> (195)
S1897

>  <Synonyms> (195)
N/A 

>  <Target> (195)
Others

>  <Form> (195)
Inorganic salt

>  <URL> (195)
http://www.selleckchem.com/products/Potassium-iodide.html

>  <CAS Number> (195)
7681-11-0

$$$$
Tropisetron hydrochloride.cdx
csChFnd80/07171813082D

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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (196)
221

>  <Formula> (196)
C17H21ClN2O2

>  <MolWeight> (196)
320.81384

>  <Item Name> (196)
Tropisetron HCl

>  <Catalog Number> (196)
S1898

>  <Synonyms> (196)
Navoban

>  <Target> (196)
5-HT Receptor

>  <Form> (196)
Hydrochloride

>  <URL> (196)
http://www.selleckchem.com/products/Tropisetron-hydrochloride.html

>  <CAS Number> (196)
105826-92-4 

$$$$
Nicotinamide.cdx
csChFnd80/07171813082D

  9  9  0  0  0  0  0  0  0  0999 V2000
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    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 N   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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  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (197)
222

>  <Formula> (197)
C6H6N2O

>  <MolWeight> (197)
122.12464

>  <Item Name> (197)
Nicotinamide (Vitamin B3)

>  <Catalog Number> (197)
S1899

>  <Synonyms> (197)
Niacinamide

>  <Target> (197)
Sirtuin

>  <Form> (197)
Free Base

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

>  <CAS Number> (197)
98-92-0

$$$$
Vitamin B12.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (198)
223

>  <Formula> (198)
C63H88CoN14O14P

>  <MolWeight> (198)
1355.365181

>  <Item Name> (198)
Vitamin B12

>  <Catalog Number> (198)
S1902

>  <Synonyms> (198)
Cobalamin, vitamin B-12, Cyanocobalamin 

>  <Target> (198)
Vitamin

>  <Form> (198)
Free Base

>  <URL> (198)
http://www.selleckchem.com/products/Vitamin-B12.html

>  <CAS Number> (198)
68-19-9

$$$$
FLAGYL (metronidazole).cdx
csChFnd80/07171813082D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    3.5921    3.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (199)
225

>  <Formula> (199)
C6H9N3O3

>  <MolWeight> (199)
171.15396

>  <Item Name> (199)
Metronidazole (Flagyl)

>  <Catalog Number> (199)
S1907

>  <Synonyms> (199)
Nidagyl, Mepagyl, Anagiardil, Bayer 5360, NSC 50364, NSC69587 

>  <Target> (199)
DNA/RNA Synthesis

>  <Form> (199)
Free Base

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

>  <CAS Number> (199)
443-48-1

$$$$
Flutamide .cdx
csChFnd80/07171813082D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    0.0042    3.5049    0.0000 O   0  5  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
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M  END
>  <Mol_ID> (200)
226

>  <Formula> (200)
C11H11F3N2O3

>  <MolWeight> (200)
276.2118496

>  <Item Name> (200)
Flutamide (Eulexin)

>  <Catalog Number> (200)
S1908

>  <Synonyms> (200)
Flutamin, Drogenil 

>  <Target> (200)
P450

>  <Form> (200)
Free Base

>  <URL> (200)
http://www.selleckchem.com/products/Flutamide(Eulexin).html

>  <CAS Number> (200)
13311-84-7

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/07171813082D

 31 32  0  0  0  0  0  0  0  0999 V2000
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    3.0368    5.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (201)
227

>  <Formula> (201)
C24H25FNNaO4

>  <MolWeight> (201)
433.4477732

>  <Item Name> (201)
Fluvastatin sodium (Lescol)

>  <Catalog Number> (201)
S1909

>  <Synonyms> (201)
Vastin

>  <Target> (201)
HMG-CoA Reductase

>  <Form> (201)
Sodium

>  <URL> (201)
http://www.selleckchem.com/products/Fluvastatin-Sodium(Lescol).htm

>  <CAS Number> (201)
93957-55-2

$$$$
GANTANOL (sulfamethoxazole).cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (202)
228

>  <Formula> (202)
C10H11N3O3S

>  <MolWeight> (202)
253.27764

>  <Item Name> (202)
Sulfamethoxazole

>  <Catalog Number> (202)
S1915

>  <Synonyms> (202)
Gantanol

>  <Target> (202)
Antifection

>  <Form> (202)
Free Base

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

>  <CAS Number> (202)
723-46-6

$$$$
GANTRISIN (sulfisoxazole).cdx
csChFnd80/07171813082D

 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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    8.5367    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7735    4.4810    0.0000 N   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
    8.8268    0.8635    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  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 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> (203)
229

>  <Formula> (203)
C11H13N3O3S

>  <MolWeight> (203)
267.30422

>  <Item Name> (203)
Sulfisoxazole

>  <Catalog Number> (203)
S1916

>  <Synonyms> (203)
Sulfafurazole, Gantrisin Pediatric

>  <Target> (203)
Antifection

>  <Form> (203)
Free Base

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

>  <CAS Number> (203)
127-69-5

$$$$

csChFnd80/07171813082D

 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
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    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> (204)
230

>  <Formula> (204)
C25H30ClN3

>  <MolWeight> (204)
407.9788

>  <Item Name> (204)
Crystal violet 

>  <Catalog Number> (204)
S1917

>  <Synonyms> (204)
Gentian violet, Hexamethyl pararosaniline chloride 

>  <Target> (204)
Others

>  <Form> (204)
quaternary-N chloride salt

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

>  <CAS Number> (204)
548-62-9

$$$$
HALDOL (haloperidol).cdx
csChFnd80/07171813082D

 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
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    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
    3.6331    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6742    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  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  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
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 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 19  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (205)
231

>  <Formula> (205)
C21H23ClFNO2

>  <MolWeight> (205)
375.8642232

>  <Item Name> (205)
Haloperidol (Haldol)

>  <Catalog Number> (205)
S1920

>  <Synonyms> (205)
Aloperidin, Bioperidolo, Brotopon, Dozic, Duraperidol, Einalon S

>  <Target> (205)
Dopamine Receptor

>  <Form> (205)
Free Base

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

>  <CAS Number> (205)
52-86-8

$$$$
HEDULIN (phenindione).cdx
csChFnd80/07171813082D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    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
  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
  9 10  2  0  0  0  0
  7 11  2  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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (206)
232

>  <Formula> (206)
C15H10O2

>  <MolWeight> (206)
222.2387

>  <Item Name> (206)
Phenindione (Rectadione)

>  <Catalog Number> (206)
S1921

>  <Synonyms> (206)
Dindevan, Rectadione

>  <Target> (206)
Vitamin

>  <Form> (206)
Free Base

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

>  <CAS Number> (206)
83-12-5

$$$$
Irsogladine.cdx
csChFnd80/07171813082D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4927    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
    2.4249    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    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
    1.2124    2.0976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6879    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 N   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 N   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
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 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  7  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (207)
233

>  <Formula> (207)
C9H7Cl2N5

>  <MolWeight> (207)
256.09138

>  <Item Name> (207)
Irsogladine

>  <Catalog Number> (207)
S1929

>  <Synonyms> (207)
N/A

>  <Target> (207)
AChR,PDE

>  <Form> (207)
Free Base

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

>  <CAS Number> (207)
57381-26-7

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/07171813082D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    7.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6119    7.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
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 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (208)
234

>  <Formula> (208)
C21H27FO6

>  <MolWeight> (208)
394.4338832

>  <Item Name> (208)
Triamcinolone (Aristocort)

>  <Catalog Number> (208)
S1933

>  <Synonyms> (208)
N/A

>  <Target> (208)
Glucocorticoid Receptor

>  <Form> (208)
Free Base

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

>  <CAS Number> (208)
124-94-7

$$$$
Azilsartan MedoxoMil.cdx
csChFnd80/07171813082D

 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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    7.3679    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9984    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5658    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5026    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0700    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068    5.0348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7006    4.2855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4687    2.8045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5091    1.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8406    2.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0046    4.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6419    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4295    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2171    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8544    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0668    9.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2792    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2792    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0668    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1262   11.1782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4956   10.8871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6419    9.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3630    8.9254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4262    9.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0339    9.8194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680    5.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    5.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    7.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    7.1870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    5.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581    4.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045    3.5790    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  1  0  0  0  0
  1  5  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
  4  9  2  0  0  0  0
  3  6  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 10  1  0  0  0  0
 14 15  1  0  0  0  0
 13 14  1  0  0  0  0
  1 13  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
 17 23  1  0  0  0  0
 29 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
 29 33  1  0  0  0  0
 33 34  2  0  0  0  0
 24 31  1  0  0  0  0
 16 20  1  0  0  0  0
  5 16  1  0  0  0  0
 36 37  1  0  0  0  0
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 39 40  2  0  0  0  0
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 35 39  1  0  0  0  0
 12 35  1  0  0  0  0
M  END
>  <Mol_ID> (209)
235

>  <Formula> (209)
C30H24N4O8

>  <MolWeight> (209)
568.53356

>  <Item Name> (209)
Azilsartan Medoxomil (TAK-491)

>  <Catalog Number> (209)
S3057

>  <Synonyms> (209)
N/A

>  <Target> (209)
RAAS

>  <Form> (209)
Free Base

>  <URL> (209)
http://www.selleckchem.com/products/azilsartan-medoxomil-tak-491.html

>  <CAS Number> (209)
863031-21-4

$$$$
Medetomidine hcl.cdx
csChFnd80/07171813082D

 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
    1.8491    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4303    3.6756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5346    4.8871    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1318    1.5236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796    2.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0258    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9215    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7271    4.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6952    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6204    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
 10  1  1  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  8  2  2  0  0  0  0
  7  3  2  0  0  0  0
  9  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
 15  9  1  0  0  0  0
  9 14  2  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (210)
236

>  <Formula> (210)
C13H17ClN2

>  <MolWeight> (210)
236.74048

>  <Item Name> (210)
Medetomidine HCl

>  <Catalog Number> (210)
S3060

>  <Synonyms> (210)
N/A

>  <Target> (210)
Adrenergic Receptor

>  <Form> (210)
HCl

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

>  <CAS Number> (210)
86347-15-1

$$$$
Danofloxacin mesylate.cdx
csChFnd80/07171813082D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.2474    5.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4337    4.7510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2577    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9512    4.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4337    3.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6567    5.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600    7.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9930    7.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7386    5.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1183    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8537    2.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6567    6.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600    8.9687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8692    7.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4842    7.5419    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3641    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6045    1.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9895    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  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  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 12 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
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 27  1  1  0  0  0
 19 24  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
 24 28  1  6  0  0  0
 25 26  1  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
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (211)
237

>  <Formula> (211)
C20H24FN3O6S

>  <MolWeight> (211)
453.4844632

>  <Item Name> (211)
Danofloxacin Mesylate

>  <Catalog Number> (211)
S3058

>  <Synonyms> (211)
N/A

>  <Target> (211)
Antifection

>  <Form> (211)
Mesylate

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

>  <CAS Number> (211)
119478-55-6

$$$$
Cilostazol.cdx
csChFnd80/07171813082D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4537    3.2397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8231    2.9486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5231    4.1611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5863    5.2015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4169    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0854    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0450    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3361    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (212)
239

>  <Formula> (212)
C20H27N5O2

>  <MolWeight> (212)
369.46068

>  <Item Name> (212)
Cilostazol

>  <Catalog Number> (212)
S1294

>  <Synonyms> (212)
Pletal

>  <Target> (212)
PDE

>  <Form> (212)
Free Base

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

>  <CAS Number> (212)
73963-72-1

$$$$
Epothilone A.cdx
csChFnd80/07171813082D

 34 36  0  0  0  0  0  0  0  0999 V2000
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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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 17 32  1  6  0  0  0
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 16 34  1  0  0  0  0
M  END
>  <Mol_ID> (213)
240

>  <Formula> (213)
C26H39NO6S

>  <MolWeight> (213)
493.65596

>  <Item Name> (213)
Epothilone A

>  <Catalog Number> (213)
S1297

>  <Synonyms> (213)
N/A

>  <Target> (213)
Microtubule Associated

>  <Form> (213)
Free Base

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

>  <CAS Number> (213)
152044-53-6

$$$$
Floxuridine.cdx
csChFnd80/07171813082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.4963    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7963    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1963    1.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289    2.4602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9558    2.8913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9762    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9962    1.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3276    2.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6187    3.7565    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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  5  1  1  0  0  0  0
  5  6  1  1  0  0  0
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M  END
>  <Mol_ID> (214)
241

>  <Formula> (214)
C9H11FN2O5

>  <MolWeight> (214)
246.1924432

>  <Item Name> (214)
Floxuridine

>  <Catalog Number> (214)
S1299

>  <Synonyms> (214)
Fludara, Fluorodeoxyuridine, FUDR, FdUrd, Floxuridin, FAMP 

>  <Target> (214)
DNA/RNA Synthesis

>  <Form> (214)
Free Base

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

>  <CAS Number> (214)
50-91-9

$$$$
Ftorafur.cdx
csChFnd80/07171813082D

 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
    1.2082    4.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (215)
242

>  <Formula> (215)
C8H9FN2O3

>  <MolWeight> (215)
200.1670632

>  <Item Name> (215)
Tegafur (FT-207, NSC 148958)

>  <Catalog Number> (215)
S1300

>  <Synonyms> (215)
N/A

>  <Target> (215)
DNA/RNA Synthesis

>  <Form> (215)
Free Base

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

>  <CAS Number> (215)
17902-23-7

$$$$
1.cdx
csChFnd80/07171813082D

 28 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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M  END
>  <Mol_ID> (216)
243

>  <Formula> (216)
C18H16F2N4O2S

>  <MolWeight> (216)
390.4070464

>  <Item Name> (216)
LY2886721

>  <Catalog Number> (216)
S2156

>  <Synonyms> (216)
N/A 

>  <Target> (216)
BACE

>  <Form> (216)
Free Base

>  <URL> (216)
http://www.selleckchem.com/products/LY-2886721.html

>  <CAS Number> (216)
1262036-50-9

$$$$
Ifosfamide.cdx
csChFnd80/07171813082D

 14 14  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
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    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    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> (217)
244

>  <Formula> (217)
C7H15Cl2N2O2P

>  <MolWeight> (217)
261.085961

>  <Item Name> (217)
Ifosfamide

>  <Catalog Number> (217)
S1302

>  <Synonyms> (217)
Mitoxana, Ifex

>  <Target> (217)
DNA/RNA Synthesis

>  <Form> (217)
Free Base

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

>  <CAS Number> (217)
3778-73-2

$$$$
Megestrol Acetate.cdx
csChFnd80/07171813082D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (218)
245

>  <Formula> (218)
C24H32O4

>  <MolWeight> (218)
384.50848

>  <Item Name> (218)
Megestrol Acetate

>  <Catalog Number> (218)
S1304

>  <Synonyms> (218)
Megace, Megace ES

>  <Target> (218)
Androgen Receptor

>  <Form> (218)
Free Base

>  <URL> (218)
http://www.selleckchem.com/products/Megestrol-Acetate.html

>  <CAS Number> (218)
595-33-5

$$$$
Mercaptopurine.cdx
csChFnd80/07171813082D

 10 11  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (219)
246

>  <Formula> (219)
C5H4N4S

>  <MolWeight> (219)
152.17706

>  <Item Name> (219)
Mercaptopurine (6-MP)

>  <Catalog Number> (219)
S1305

>  <Synonyms> (219)
N/A

>  <Target> (219)
DNA/RNA Synthesis 

>  <Form> (219)
Free Base

>  <URL> (219)
http://www.selleckchem.com/products/Mercaptopurine.html

>  <CAS Number> (219)
50-44-2

$$$$
Pamidronate Disodium.cdx
csChFnd80/07171813082D

 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  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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M  END
>  <Mol_ID> (220)
247

>  <Formula> (220)
C3H9NNa2O7P2

>  <MolWeight> (220)
279.033122

>  <Item Name> (220)
Pamidronate Disodium

>  <Catalog Number> (220)
S1311

>  <Synonyms> (220)
Aredia

>  <Target> (220)
Others

>  <Form> (220)
Disodium salt

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

>  <CAS Number> (220)
57248-88-1

$$$$
Streptozocin.cdx
csChFnd80/07171813082D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  2  9  1  1  0  0  0
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M  END
>  <Mol_ID> (221)
248

>  <Formula> (221)
C8H15N3O7

>  <MolWeight> (221)
265.2206

>  <Item Name> (221)
Streptozotocin (STZ)

>  <Catalog Number> (221)
S1312

>  <Synonyms> (221)
NSC-85998

>  <Target> (221)
DNA alkylator

>  <Form> (221)
Free Base

>  <URL> (221)
http://www.selleckchem.com/products/Streptozotocin.html

>  <CAS Number> (221)
18883-66-4

$$$$
ki16425.cdx
csChFnd80/07171813082D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (222)
250

>  <Formula> (222)
C23H23ClN2O5S

>  <MolWeight> (222)
474.95712

>  <Item Name> (222)
Ki16425

>  <Catalog Number> (222)
S1315

>  <Synonyms> (222)
N/A

>  <Target> (222)
LPA Receptor

>  <Form> (222)
Free Base

>  <URL> (222)
http://www.selleckchem.com/products/Ki16425.html

>  <CAS Number> (222)
355025-24-0 

$$$$
Alizarin.cdx
csChFnd80/07171813082D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (223)
251

>  <Formula> (223)
C14H8O4

>  <MolWeight> (223)
240.21092

>  <Item Name> (223)
Alizarin

>  <Catalog Number> (223)
S2526

>  <Synonyms> (223)
Anthraquinonic

>  <Target> (223)
P450 (e.g. CYP17)

>  <Form> (223)
Free Base

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

>  <CAS Number> (223)
72-48-0

$$$$
Costunolide.cdx
csChFnd80/07171813082D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (224)
253

>  <Formula> (224)
C15H20O2

>  <MolWeight> (224)
232.3181

>  <Item Name> (224)
Costunolide

>  <Catalog Number> (224)
S1319

>  <Synonyms> (224)
N/A

>  <Target> (224)
Telomerase

>  <Form> (224)
Free Base

>  <URL> (224)
http://www.selleckchem.com/products/Costunolide.html

>  <CAS Number> (224)
553-21-9

$$$$
Dexamethasone.cdx
csChFnd80/07171813082D

 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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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (225)
254

>  <Formula> (225)
C22H29FO5

>  <MolWeight> (225)
392.4610632

>  <Item Name> (225)
Dexamethasone

>  <Catalog Number> (225)
S1322

>  <Synonyms> (225)
Decadron

>  <Target> (225)
IL Receptor

>  <Form> (225)
Free Base

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

>  <CAS Number> (225)
50-02-2

$$$$
Doxazosin mesylate.cdx
csChFnd80/07171813082D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (226)
255

>  <Formula> (226)
C24H29N5O8S

>  <MolWeight> (226)
547.58076

>  <Item Name> (226)
Doxazosin mesylate

>  <Catalog Number> (226)
S1324

>  <Synonyms> (226)
Cardura, Carduran 

>  <Target> (226)
Adrenergic Receptor

>  <Form> (226)
Mesylate

>  <URL> (226)
http://www.selleckchem.com/products/Doxazosin-mesylate.html

>  <CAS Number> (226)
77883-43-3

$$$$
Ellagic acid.cdx
csChFnd80/07171813082D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 13  6  2  0  0  0  0
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M  END
>  <Mol_ID> (227)
256

>  <Formula> (227)
C14H6O8

>  <MolWeight> (227)
302.19264

>  <Item Name> (227)
Ellagic acid

>  <Catalog Number> (227)
S1327

>  <Synonyms> (227)
N/A

>  <Target> (227)
Topoisomerases

>  <Form> (227)
Free Base

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

>  <CAS Number> (227)
476-66-4

$$$$
Etodolac.cdx
csChFnd80/07171813082D

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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (228)
257

>  <Formula> (228)
C17H21NO3

>  <MolWeight> (228)
287.35354

>  <Item Name> (228)
Etodolac (Lodine)

>  <Catalog Number> (228)
S1328

>  <Synonyms> (228)
Lodine, Lodine XL

>  <Target> (228)
COX
COX

>  <Form> (228)
Free Base

>  <URL> (228)
http://www.selleckchem.com/products/Etodolac.html

>  <CAS Number> (228)
41340-25-4

$$$$
Etomidate.cdx
csChFnd80/07171813082D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0189    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3861    3.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (229)
258

>  <Formula> (229)
C14H16N2O2

>  <MolWeight> (229)
244.28904

>  <Item Name> (229)
Etomidate

>  <Catalog Number> (229)
S1329

>  <Synonyms> (229)
Amidate

>  <Target> (229)
GABA Receptor

>  <Form> (229)
Free Base

>  <URL> (229)
http://www.selleckchem.com/products/Etomidate.html

>  <CAS Number> (229)
33125-97-2

$$$$
Fluconazole.cdx
csChFnd80/07171813082D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.1000    5.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (230)
259

>  <Formula> (230)
C13H12F2N6O

>  <MolWeight> (230)
306.2707864

>  <Item Name> (230)
Fluconazole

>  <Catalog Number> (230)
S1331

>  <Synonyms> (230)
UK 49858

>  <Target> (230)
P450 (e.g. CYP17)

>  <Form> (230)
Free Base

>  <URL> (230)
http://www.selleckchem.com/products/Fluconazole.html

>  <CAS Number> (230)
86386-73-4

$$$$
Flumazenil.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (231)
260

>  <Formula> (231)
C15H14FN3O3

>  <MolWeight> (231)
303.2883632

>  <Item Name> (231)
Flumazenil

>  <Catalog Number> (231)
S1332

>  <Synonyms> (231)
Flumazepil, Ro 15-1788, Anexate, Lanexat, Mazicon, Roma

>  <Target> (231)
GABA Receptor

>  <Form> (231)
Free Base

>  <URL> (231)
http://www.selleckchem.com/products/Flumazenil.html

>  <CAS Number> (231)
78755-81-4

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/07171813082D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (232)
261

>  <Formula> (232)
C17H19ClF3NO

>  <MolWeight> (232)
345.7870696

>  <Item Name> (232)
Fluoxetine  HCl

>  <Catalog Number> (232)
S1333

>  <Synonyms> (232)
Prozac, Sarafem

>  <Target> (232)
5-HT Receptor

>  <Form> (232)
Hydrochloride

>  <URL> (232)
http://www.selleckchem.com/products/Fluoxetine-hydrochloride.html

>  <CAS Number> (232)
56296-78-7

$$$$
Flupirtine maleate.cdx
csChFnd80/07171813082D

 30 30  0  0  0  0  0  0  0  0999 V2000
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 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (233)
262

>  <Formula> (233)
C19H21FN4O6

>  <MolWeight> (233)
420.3916432

>  <Item Name> (233)
Flupirtine maleate

>  <Catalog Number> (233)
S1334

>  <Synonyms> (233)
Katadolon

>  <Target> (233)
Antimetabolites

>  <Form> (233)
Maleate

>  <URL> (233)
http://www.selleckchem.com/products/Flupirtine-maleate.html

>  <CAS Number> (233)
75507-68-5

$$$$
Gabapentin hcl.cdx
csChFnd80/07171813082D

 13 12  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
    3.7772    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    4.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689    4.5599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    1.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3080    2.4150    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
  5  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
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (234)
263

>  <Formula> (234)
C9H18ClNO2

>  <MolWeight> (234)
207.69772

>  <Item Name> (234)
Gabapentin Hydrochloride

>  <Catalog Number> (234)
S1338

>  <Synonyms> (234)
Gabarone, Neurontin

>  <Target> (234)
GABA Receptor

>  <Form> (234)
Hydrochloride

>  <URL> (234)
http://www.selleckchem.com/products/Gabapentin.html

>  <CAS Number> (234)
60142-95-2

$$$$
Galanthamine hydrobromide.cdx
csChFnd80/07171813082D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.1927    4.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    5.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    5.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    4.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    2.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5621    4.4562    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7085    5.8486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4295    6.4180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9737    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9874    6.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    6.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3946    6.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2621    3.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2621    1.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5450    1.3779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7634    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6984    2.2839    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9  2  1  0  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  1  0  0  0  0
 13  8  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  1  0  0  0
  6 17  1  0  0  0  0
  7 18  1  6  0  0  0
 18 19  1  0  0  0  0
 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> (235)
264

>  <Formula> (235)
C17H22BrNO3

>  <MolWeight> (235)
368.26548

>  <Item Name> (235)
Galanthamine hydrobromide

>  <Catalog Number> (235)
S1339

>  <Synonyms> (235)
Reminyl

>  <Target> (235)
AChR
mAChRs

>  <Form> (235)
Hydrobromide

>  <URL> (235)
http://www.selleckchem.com/products/Galanthamine-hydrobromide.html

>  <CAS Number> (235)
1953-04-4

$$$$
Gatifloxacin.cdx
csChFnd80/07171813082D

 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
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    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
    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 C   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
    9.6953    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1828    6.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7828    6.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4207    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4976    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
 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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
  7 18  2  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 11 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 11  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (236)
265

>  <Formula> (236)
C19H22FN3O4

>  <MolWeight> (236)
375.3940832

>  <Item Name> (236)
Gatifloxacin

>  <Catalog Number> (236)
S1340

>  <Synonyms> (236)
AM-1155, CG5501, BMS-206584

>  <Target> (236)
Topoisomerase

>  <Form> (236)
Free Base

>  <URL> (236)
http://www.selleckchem.com/products/Gatifloxacin.html

>  <CAS Number> (236)
112811-59-3

$$$$
Genistein.cdx
csChFnd80/07171813082D

 20 22  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
    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
    1.2082    2.1000    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
    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
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    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    4.8951    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
  3  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  4  1  0  0  0  0
 10 11  2  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
 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  5 20  1  0  0  0  0
M  END
>  <Mol_ID> (237)
266

>  <Formula> (237)
C15H10O5

>  <MolWeight> (237)
270.2369

>  <Item Name> (237)
Genistein

>  <Catalog Number> (237)
S1342

>  <Synonyms> (237)
N/A

>  <Target> (237)
Topoisomerase
EGFR

>  <Form> (237)
Free Base

>  <URL> (237)
http://www.selleckchem.com/products/Genistein.html

>  <CAS Number> (237)
446-72-0

$$$$
Ginkgolide B.cdx
csChFnd80/07171813082D

 32 37  0  0  0  0  0  0  0  0999 V2000
    5.2152    3.8048    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0028    4.5048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9624    3.5680    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5318    2.2891    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9241    2.4354    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5700    3.4217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    1.3523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1366    1.7354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1770    2.6722    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6075    3.9512    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8986    5.3206    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 17 31  1  1  0  0  0
 16 32  2  0  0  0  0
M  END
>  <Mol_ID> (238)
267

>  <Formula> (238)
C20H24O10

>  <MolWeight> (238)
424.39856

>  <Item Name> (238)
Ginkgolide B

>  <Catalog Number> (238)
S1343

>  <Synonyms> (238)
BN 52021 

>  <Target> (238)
PAFR

>  <Form> (238)
Free Base

>  <URL> (238)
http://www.selleckchem.com/products/Ginkgolide-B.html

>  <CAS Number> (238)
15291-77-7

$$$$
Glimepiride.cdx
csChFnd80/07171813082D

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.5406    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (239)
268

>  <Formula> (239)
C24H34N4O5S

>  <MolWeight> (239)
490.61556

>  <Item Name> (239)
Glimepiride

>  <Catalog Number> (239)
S1344

>  <Synonyms> (239)
Amaryl, Glista OD

>  <Target> (239)
DPP-4

>  <Form> (239)
Free Base

>  <URL> (239)
http://www.selleckchem.com/products/Glimepiride.html

>  <CAS Number> (239)
93479-97-1

$$$$
Granisetron Hydrochloride.cdx
csChFnd80/07171813082D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (240)
269

>  <Formula> (240)
C18H25ClN4O

>  <MolWeight> (240)
348.8703

>  <Item Name> (240)
Granisetron HCl

>  <Catalog Number> (240)
S1345

>  <Synonyms> (240)
Kytril

>  <Target> (240)
5-HT Receptor

>  <Form> (240)
Hydrochloride

>  <URL> (240)
http://www.selleckchem.com/products/Granisetron-Hydrochloride.html

>  <CAS Number> (240)
107007-99-8

$$$$
TG100-115.cdx
csChFnd80/07171813082D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (241)
270

>  <Formula> (241)
C18H14N6O2

>  <MolWeight> (241)
346.34276

>  <Item Name> (241)
TG100-115

>  <Catalog Number> (241)
S1352

>  <Synonyms> (241)
N/A

>  <Target> (241)
PI3K

>  <Form> (241)
Free Base

>  <URL> (241)
http://www.selleckchem.com/products/TG100-115.html

>  <CAS Number> (241)
677297-51-7

$$$$
Ketoconazole.cdx
csChFnd80/07171813082D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (242)
271

>  <Formula> (242)
C26H28Cl2N4O4

>  <MolWeight> (242)
531.43092

>  <Item Name> (242)
Ketoconazole

>  <Catalog Number> (242)
S1353

>  <Synonyms> (242)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (242)
P450

>  <Form> (242)
Free Base

>  <URL> (242)
http://www.selleckchem.com/products/Ketoconazole.html

>  <CAS Number> (242)
65277-42-1

$$$$
Lansoprazole.cdx
csChFnd80/07171813082D

 25 27  0  0  0  0  0  0  0  0999 V2000
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272

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Lansoprazole

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S1354

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Prevacid, Prevacid NapraPAC, Prevacid SoluTab

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Proton Pump

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Free Base

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

>  <CAS Number> (243)
103577-45-3

$$$$
Levetiracetam.cdx
csChFnd80/07171813082D

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273

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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> (244)
http://www.selleckchem.com/products/Levetiracetam.html

>  <CAS Number> (244)
102767-28-2

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/07171813082D

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274

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C22H23ClN2O2

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Loratadine

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S1358

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Alavert, Claritin

>  <Target> (245)
Histamine Receptor

>  <Form> (245)
Free Base

>  <URL> (245)
http://www.selleckchem.com/products/Loratadine.html

>  <CAS Number> (245)
79794-75-5

$$$$
bms-707035.cdx
csChFnd80/07171813082D

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C18H11N3O2S

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S1360

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N/A

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PI3K, mTOR

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Free Base

>  <URL> (246)
http://www.selleckchem.com/products/GSK1059615.html

>  <CAS Number> (246)
958852-01-2

$$$$
mgcd265.cdx
csChFnd80/07171813082D

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>  <Target> (247)
c-Met, VEGFR, Tie-2 

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>  <URL> (247)
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>  <CAS Number> (247)
875337-44-3

$$$$
ON-01910.cdx
csChFnd80/07171813082D

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ON-01910

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PLK

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Sodium Salt

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http://www.selleckchem.com/products/ON-01910.html

>  <CAS Number> (248)
1225497-78-8

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>  <Target> (249)
VEGFR, c-Kit, PDGFR

>  <Form> (249)
Free Base

>  <URL> (249)
http://www.selleckchem.com/products/Ki8751.html

>  <CAS Number> (249)
228559-41-9

$$$$
EpothiloneB.cdx
csChFnd80/07171813082D

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N/A 

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Microtubule Associated

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Free Base

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

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152044-54-7

$$$$
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csChFnd80/07171813082D

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S1366

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N/A

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Integrase

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Free Base

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729607-74-3

$$$$
Amonafide.cdx
csChFnd80/07171813082D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    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
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    7.2662    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6826    5.5951    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
    6.0580    3.4976    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  1  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
 10  1  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  7  1  0  0  0  0
  3 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
 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
 11 21  2  0  0  0  0
M  END
>  <Mol_ID> (252)
282

>  <Formula> (252)
C16H17N3O2

>  <MolWeight> (252)
283.32508

>  <Item Name> (252)
Amonafide

>  <Catalog Number> (252)
S1367

>  <Synonyms> (252)
AS1413, Xanafide, Quinamed

>  <Target> (252)
Topoisomerase

>  <Form> (252)
Free Base

>  <URL> (252)
http://www.selleckchem.com/products/Amonafide.html

>  <CAS Number> (252)
69408-81-7

$$$$
Acitretin.cdx
csChFnd80/07171813082D

 24 24  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
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5073    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
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   10.9204    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5577    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7701    5.6073    0.0000 O   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
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    1.2124    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    5.6098    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  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
  9 12  1  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
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6 24  1  0  0  0  0
M  END
>  <Mol_ID> (253)
283

>  <Formula> (253)
C21H26O3

>  <MolWeight> (253)
326.42934

>  <Item Name> (253)
Acitretin

>  <Catalog Number> (253)
S1368

>  <Synonyms> (253)
Etretin, RO 10-1670

>  <Target> (253)
Retinoid Receptor

>  <Form> (253)
Free Base

>  <URL> (253)
http://www.selleckchem.com/products/Acitretin.html

>  <CAS Number> (253)
55079-83-9

$$$$
Cefoselis sulfate.cdx
csChFnd80/07171813082D

 41 43  0  0  0  0  0  0  0  0999 V2000
    7.7116    6.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7216    5.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0840    3.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4363    3.5638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4262    4.5537    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.4262    2.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4162    3.5638    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4262    1.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6344    5.2513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8113    3.5638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5089    2.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8113    1.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6016    3.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5595    5.6470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0975    2.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7499    3.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4585    1.5920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3216    5.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6240    6.4866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1935    7.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1531    8.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9406    8.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2317    6.6330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6661    8.5698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982    5.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9335    5.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9321    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9321    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9321    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3273    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
  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  5  1  0  0  0  0
  7  9  2  0  0  0  0
  5 10  1  1  0  0  0
  8 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  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  1  0  0  0  0
 22 16  2  0  0  0  0
 20 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  1  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  1  0  0  0  0
 32 28  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
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
 37 41  2  0  0  0  0
M  END
>  <Mol_ID> (254)
284

>  <Formula> (254)
C19H24N8O10S3

>  <MolWeight> (254)
620.63646

>  <Item Name> (254)
Cefoselis sulfate

>  <Catalog Number> (254)
S1371

>  <Synonyms> (254)
N/A

>  <Target> (254)
Others

>  <Form> (254)
Sulfate

>  <URL> (254)
http://www.selleckchem.com/products/Cefoselis-sulfate.html

>  <CAS Number> (254)
122841-12-7

$$$$
Dorzolamide HCL.cdx
csChFnd80/07171813082D

 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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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> (255)
285

>  <Formula> (255)
C10H17ClN2O4S3

>  <MolWeight> (255)
360.90098

>  <Item Name> (255)
Dorzolamide HCL

>  <Catalog Number> (255)
S1375

>  <Synonyms> (255)
Trusopt, Cosopt

>  <Target> (255)
Carbonic Anhydrase

>  <Form> (255)
Hydrochloride

>  <URL> (255)
http://www.selleckchem.com/products/Dorzolamide-HCL.html

>  <CAS Number> (255)
130693-82-2

$$$$
Gestodene.cdx
csChFnd80/07171813082D

 27 30  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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    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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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (256)
286

>  <Formula> (256)
C21H26O2

>  <MolWeight> (256)
310.42994

>  <Item Name> (256)
Gestodene

>  <Catalog Number> (256)
S1376

>  <Synonyms> (256)
N/A

>  <Target> (256)
Estrogen/progestogen Receptor

>  <Form> (256)
Free Base

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

>  <CAS Number> (256)
60282-87-3

$$$$
Drospirenone.cdx
csChFnd80/07171813082D

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 11  8  1  0  0  0  0
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M  END
>  <Mol_ID> (257)
287

>  <Formula> (257)
C24H30O3

>  <MolWeight> (257)
366.4932

>  <Item Name> (257)
Drospirenone

>  <Catalog Number> (257)
S1377

>  <Synonyms> (257)
Angeliq

>  <Target> (257)
Estrogen/progestogen Receptor

>  <Form> (257)
Free Base

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

>  <CAS Number> (257)
67392-87-4

$$$$
Isotretinoin.cdx
csChFnd80/07171813082D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (258)
288

>  <Formula> (258)
C20H28O2

>  <MolWeight> (258)
300.43512

>  <Item Name> (258)
Isotretinoin

>  <Catalog Number> (258)
S1379

>  <Synonyms> (258)
Accutane, Amnesteem, Claravis, Sotret

>  <Target> (258)
Hydroxylase

>  <Form> (258)
Free Base

>  <URL> (258)
http://www.selleckchem.com/products/Isotretinoin.html

>  <CAS Number> (258)
4759-48-2

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (259)
289

>  <Formula> (259)
C37H48N4O5

>  <MolWeight> (259)
628.80082

>  <Item Name> (259)
Lopinavir (ABT-378)

>  <Catalog Number> (259)
S1380

>  <Synonyms> (259)
ABT-378

>  <Target> (259)
HIV Protease

>  <Form> (259)
Free Base

>  <URL> (259)
http://www.selleckchem.com/products/Lopinavir.html

>  <CAS Number> (259)
192725-17-0

$$$$
Meropenem.cdx
csChFnd80/07171813082D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   10.0603    4.8157    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (260)
290

>  <Formula> (260)
C17H25N3O5S

>  <MolWeight> (260)
383.4625

>  <Item Name> (260)
Meropenem

>  <Catalog Number> (260)
S1381

>  <Synonyms> (260)
SM 7338

>  <Target> (260)
Antifection

>  <Form> (260)
Free Base

>  <URL> (260)
http://www.selleckchem.com/products/Meropenem.html

>  <CAS Number> (260)
96036-03-2

$$$$
Mianserin hydrochloride.cdx
csChFnd80/07171813082D

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 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (261)
291

>  <Formula> (261)
C18H21ClN2

>  <MolWeight> (261)
300.82574

>  <Item Name> (261)
Mianserin HCl

>  <Catalog Number> (261)
S1382

>  <Synonyms> (261)
ORG GB-94 HCl

>  <Target> (261)
Histamine Receptor(HT receptor)

>  <Form> (261)
Hydrochloride

>  <URL> (261)
http://www.selleckchem.com/products/Mianserin-hydrochloride.html

>  <CAS Number> (261)
21535-47-7

$$$$
Mizoribine.cdx
csChFnd80/07171813082D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (262)
293

>  <Formula> (262)
C9H13N3O6

>  <MolWeight> (262)
259.21602

>  <Item Name> (262)
Mizoribine (Bredinin)

>  <Catalog Number> (262)
S1384

>  <Synonyms> (262)
HE 69

>  <Target> (262)
DNA/RNA Synthesis

>  <Form> (262)
Free Base

>  <URL> (262)
http://www.selleckchem.com/products/Mizoribine.html

>  <CAS Number> (262)
50924-49-7

$$$$
Mosapride citrate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (263)
294

>  <Formula> (263)
C27H33ClFN3O10

>  <MolWeight> (263)
614.0164232

>  <Item Name> (263)
Mosapride citrate

>  <Catalog Number> (263)
S1385

>  <Synonyms> (263)
TAK-370, AS-4370, Gasmot

>  <Target> (263)
5-HT Receptor

>  <Form> (263)
Citrate

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

>  <CAS Number> (263)
112885-42-4

$$$$
Nafamostat mesylate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (264)
295

>  <Formula> (264)
C21H25N5O8S2

>  <MolWeight> (264)
539.5819

>  <Item Name> (264)
Nafamostat mesylate

>  <Catalog Number> (264)
S1386

>  <Synonyms> (264)
Futhan, FUT-175

>  <Target> (264)
Proteasome

>  <Form> (264)
Dimesylate

>  <URL> (264)
http://www.selleckchem.com/products/Nafamostat-mesylate.html

>  <CAS Number> (264)
82956-11-4

$$$$
Naftopidil.cdx
csChFnd80/07171813082D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (265)
296

>  <Formula> (265)
C24H30Cl2N2O3

>  <MolWeight> (265)
465.4126

>  <Item Name> (265)
Naftopidil Dihydrochloride

>  <Catalog Number> (265)
S1387

>  <Synonyms> (265)
Flivas, KT-611, Avishot 

>  <Target> (265)
Adrenergic Receptor

>  <Form> (265)
Dihydrochloride

>  <URL> (265)
http://www.selleckchem.com/products/Naftopidil-Dihydrochloride.html

>  <CAS Number> (265)
57149-08-3

$$$$
Omeprazole.cdx
csChFnd80/07171813082D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (266)
297

>  <Formula> (266)
C17H19N3O3S

>  <MolWeight> (266)
345.41606

>  <Item Name> (266)
Omeprazole (Prilosec)

>  <Catalog Number> (266)
S1389

>  <Synonyms> (266)
Losec, Omesec, Prilosec, Zegerid

>  <Target> (266)
Proton Pump, ATPase

>  <Form> (266)
Free Base

>  <URL> (266)
http://www.selleckchem.com/products/Omeprazole.html

>  <CAS Number> (266)
73590-58-6

$$$$
Pelitinib.cdx
csChFnd80/07171813082D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (267)
299

>  <Formula> (267)
C24H23ClFN5O2

>  <MolWeight> (267)
467.9231232

>  <Item Name> (267)
Pelitinib (EKB-569)

>  <Catalog Number> (267)
S1392

>  <Synonyms> (267)
WAY-EKB 569

>  <Target> (267)
EGFR

>  <Form> (267)
Free Base

>  <URL> (267)
http://www.selleckchem.com/products/Pelitinib.html

>  <CAS Number> (267)
257933-82-7

$$$$
Pizotifen malate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (268)
300

>  <Formula> (268)
C23H27NO5S

>  <MolWeight> (268)
429.52918

>  <Item Name> (268)
Pizotifen malate

>  <Catalog Number> (268)
S1394

>  <Synonyms> (268)
BC-105

>  <Target> (268)
5-HT Receptor

>  <Form> (268)
Malate

>  <URL> (268)
http://www.selleckchem.com/products/Pizotifen-malate.html

>  <CAS Number> (268)
5189-11-7

$$$$
resveratrol.cdx
csChFnd80/07171813082D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (269)
301

>  <Formula> (269)
C14H12O3

>  <MolWeight> (269)
228.24328

>  <Item Name> (269)
Resveratrol

>  <Catalog Number> (269)
S1396

>  <Synonyms> (269)
N/A

>  <Target> (269)
Sirtuin

>  <Form> (269)
Free Base

>  <URL> (269)
http://www.selleckchem.com/products/Resveratrol.html

>  <CAS Number> (269)
501-36-0

$$$$
Rocuronium bromide.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (270)
302

>  <Formula> (270)
C32H53BrN2O4

>  <MolWeight> (270)
609.67822

>  <Item Name> (270)
Rocuronium bromide

>  <Catalog Number> (270)
S1397

>  <Synonyms> (270)
Zemuron, Esmeron

>  <Target> (270)
AChR

>  <Form> (270)
Bromide

>  <URL> (270)
http://www.selleckchem.com/products/Rocuronium-bromide.html

>  <CAS Number> (270)
119302-91-9

$$$$
Stavudine.cdx
csChFnd80/07171813082D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (271)
303

>  <Formula> (271)
C10H12N2O4

>  <MolWeight> (271)
224.21328

>  <Item Name> (271)
Stavudine (d4T)

>  <Catalog Number> (271)
S1398

>  <Synonyms> (271)
BMY-27857, Sanilvudine, NSC 163661

>  <Target> (271)
Reverse Transcriptase

>  <Form> (271)
Free Base

>  <URL> (271)
http://www.selleckchem.com/products/Stavudine.html

>  <CAS Number> (271)
3056-17-5

$$$$

csChFnd80/07171813082D

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M  END
>  <Mol_ID> (272)
304

>  <Formula> (272)
C23H34N5O14P

>  <MolWeight> (272)
635.514921

>  <Item Name> (272)
Tenofovir Disoproxil Fumarate

>  <Catalog Number> (272)
S1400

>  <Synonyms> (272)
Viread

>  <Target> (272)
Reverse Transcriptase

>  <Form> (272)
Fumarate

>  <URL> (272)
http://www.selleckchem.com/products/Tenofovir-Disoproxil-Fumarate.html

>  <CAS Number> (272)
202138-50-9

$$$$
Tenofovir(PMPA).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (273)
305

>  <Formula> (273)
C9H14N5O4P

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287.212321

>  <Item Name> (273)
Tenofovir (Viread)

>  <Catalog Number> (273)
S1401

>  <Synonyms> (273)
Viread

>  <Target> (273)
Reverse Transcriptase

>  <Form> (273)
Free Base

>  <URL> (273)
http://www.selleckchem.com/products/Tenofovir.html

>  <CAS Number> (273)
147127-20-6

$$$$
S1130.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (274)
306

>  <Formula> (274)
C20H19BrN4O3

>  <MolWeight> (274)
443.29386

>  <Item Name> (274)
YM155 (Sepantronium Bromide)

>  <Catalog Number> (274)
S1130

>  <Synonyms> (274)
N/A

>  <Target> (274)
Survivin

>  <Form> (274)
Bromide

>  <URL> (274)
http://www.selleckchem.com/products/YM155.html

>  <CAS Number> (274)
781661-94-7

$$$$
Tigecycline.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (275)
307

>  <Formula> (275)
C29H39N5O8

>  <MolWeight> (275)
585.64866

>  <Item Name> (275)
Tigecycline

>  <Catalog Number> (275)
S1403

>  <Synonyms> (275)
Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

>  <Target> (275)
Antifection

>  <Form> (275)
Free Base

>  <URL> (275)
http://www.selleckchem.com/products/Tigecycline.html

>  <CAS Number> (275)
220620-09-7

$$$$
Trilostane.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (276)
308

>  <Formula> (276)
C20H27NO3

>  <MolWeight> (276)
329.43328

>  <Item Name> (276)
Trilostane

>  <Catalog Number> (276)
S1404

>  <Synonyms> (276)
Vetoryl

>  <Target> (276)
Dehydrogenase

>  <Form> (276)
Free Base

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

>  <CAS Number> (276)
13647-35-3

$$$$
Vecuronium Bromide.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (277)
309

>  <Formula> (277)
C34H57BrN2O4

>  <MolWeight> (277)
637.73138

>  <Item Name> (277)
Vecuronium Bromide

>  <Catalog Number> (277)
S1405

>  <Synonyms> (277)
Norcuron, Org NC 45

>  <Target> (277)
AChR

>  <Form> (277)
Bromide

>  <URL> (277)
http://www.selleckchem.com/products/Vecuronium-Bromide.html#

>  <CAS Number> (277)
50700-72-6

$$$$
bimatoprost.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (278)
310

>  <Formula> (278)
C25H37NO4

>  <MolWeight> (278)
415.56558

>  <Item Name> (278)
Bimatoprost

>  <Catalog Number> (278)
S1407

>  <Synonyms> (278)
Lumigan

>  <Target> (278)
Immunology & Inflammation related

>  <Form> (278)
Free Base

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

>  <CAS Number> (278)
155206-00-1

$$$$
Linezolid.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (279)
311

>  <Formula> (279)
C16H20FN3O4

>  <MolWeight> (279)
337.3461032

>  <Item Name> (279)
Linezolid (Zyvox)

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S1408

>  <Synonyms> (279)
Zyvoxid, Zyvoxam

>  <Target> (279)
Antifection

>  <Form> (279)
Free Base

>  <URL> (279)
http://www.selleckchem.com/products/Linezolid(Zyvox).html

>  <CAS Number> (279)
165800-03-3

$$$$
Alfuzosin HCl.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (280)
312

>  <Formula> (280)
C19H28ClN5O4

>  <MolWeight> (280)
425.90972

>  <Item Name> (280)
Alfuzosin hydrochloride (Uroxatral)

>  <Catalog Number> (280)
S1409

>  <Synonyms> (280)
Uroxatral

>  <Target> (280)
Adrenergic Receptor

>  <Form> (280)
Hydrochloride

>  <URL> (280)
http://www.selleckchem.com/products/Alfuzosin-hydrochloride.html

>  <CAS Number> (280)
81403-68-1

$$$$
Clopidogrel bisulfate.cdx
csChFnd80/07171813082D

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   10.4392    4.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2392    4.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    5.5665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    2.7665    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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  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  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  2  0  0  0  0
 17 13  1  0  0  0  0
  7 18  1  1  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (281)
314

>  <Formula> (281)
C16H18ClNO6S2

>  <MolWeight> (281)
419.90022

>  <Item Name> (281)
Clopidogrel (Plavix)

>  <Catalog Number> (281)
S1415

>  <Synonyms> (281)
Iscover 

>  <Target> (281)
P2 Receptor

>  <Form> (281)
Sulfate

>  <URL> (281)
http://www.selleckchem.com/products/Clopidogrel-bisulfate.html

>  <CAS Number> (281)
120202-66-6

$$$$
5-Aminolevulinic acid hydrochloride.cdx
csChFnd80/07171813082D

 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 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  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
    7.2788    1.4000    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
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9360    1.8512    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
  3  8  2  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (282)
315

>  <Formula> (282)
C5H10ClNO3

>  <MolWeight> (282)
167.5908

>  <Item Name> (282)
5-Aminolevulinic acid hydrochloride

>  <Catalog Number> (282)
S2553

>  <Synonyms> (282)
Levulan, ALA

>  <Target> (282)
Others

>  <Form> (282)
Hydrochloride

>  <URL> (282)
http://www.selleckchem.com/products/5-Aminolevulinic-acid-hydrochloride.html

>  <CAS Number> (282)
5451-09-2

$$$$
Droxinostat.cdx
csChFnd80/07171813082D

 16 16  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    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    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 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
    9.7079    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.8073    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
 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
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (283)
316

>  <Formula> (283)
C11H14ClNO3

>  <MolWeight> (283)
243.68676

>  <Item Name> (283)
Droxinostat

>  <Catalog Number> (283)
S1422

>  <Synonyms> (283)
N/A

>  <Target> (283)
HDAC 

>  <Form> (283)
Free Base

>  <URL> (283)
http://www.selleckchem.com/products/Droxinostat.html

>  <CAS Number> (283)
99873-43-5

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/07171813082D

 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
    4.1915    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4039    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4039    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9832    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8246    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4039    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6121    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8203    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0286    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0286    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2410    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4534    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4534    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2410    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6617    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8699    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.0823    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2948    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2948    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0823    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8699    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5072    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7196    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7196    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5072    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5072    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2990    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0878    3.4964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  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
 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 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
 22 23  2  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
 22 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 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (284)
317

>  <Formula> (284)
C24H35Cl2N3O4

>  <MolWeight> (284)
500.4584

>  <Item Name> (284)
Ranolazine dihydrochloride

>  <Catalog Number> (284)
S1425

>  <Synonyms> (284)
RS 43285-193, RS-43285, Ranexa, renolazine 

>  <Target> (284)
Calcium Channel

>  <Form> (284)
Dihydrochloride

>  <URL> (284)
http://www.selleckchem.com/products/Ranolazine-dihydrochloride.html

>  <CAS Number> (284)
95635-56-6

$$$$
Repaglinide.cdx
csChFnd80/07171813082D

 33 35  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.3927    0.0000 C   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
    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4927    0.0000 C   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
    2.4165    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.1903    0.0000 N   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
   10.8825    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0907    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2448    7.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2549    8.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9026    8.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5402    6.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5302    5.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  5 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  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 23 24  1  0  0  0  0
 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
 17 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (285)
318

>  <Formula> (285)
C27H36N2O4

>  <MolWeight> (285)
452.58574

>  <Item Name> (285)
Repaglinide

>  <Catalog Number> (285)
S1426

>  <Synonyms> (285)
Prandin, GlucoNorm, NovoNorm

>  <Target> (285)
Potassium Channel

>  <Form> (285)
Free Base

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

>  <CAS Number> (285)
135062-02-1

$$$$
Risedronate sodium.cdx
csChFnd80/07171813082D

 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
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    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> (286)
319

>  <Formula> (286)
C7H10NNaO7P2

>  <MolWeight> (286)
305.094092

>  <Item Name> (286)
Risedronate sodium

>  <Catalog Number> (286)
S1428

>  <Synonyms> (286)
Actonel

>  <Target> (286)
Others

>  <Form> (286)
Sodium salt

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

>  <CAS Number> (286)
115436-72-1

$$$$
Rolipram.cdx
csChFnd80/07171813082D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (287)
320

>  <Formula> (287)
C16H21NO3

>  <MolWeight> (287)
275.34284

>  <Item Name> (287)
Rolipram

>  <Catalog Number> (287)
S1430

>  <Synonyms> (287)
N/A

>  <Target> (287)
PDE

>  <Form> (287)
Free Base

>  <URL> (287)
http://www.selleckchem.com/products/Rolipram.html

>  <CAS Number> (287)
61413-54-5

$$$$
A 922500.cdx
csChFnd80/07171813082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (288)
321

>  <Formula> (288)
C26H24N2O4

>  <MolWeight> (288)
428.47976

>  <Item Name> (288)
A 922500

>  <Catalog Number> (288)
S2674

>  <Synonyms> (288)
N/A

>  <Target> (288)
Diacylglycerol Acyltransferase 1

>  <Form> (288)
Free Base

>  <URL> (288)
http://www.selleckchem.com/products/a-922500.html

>  <CAS Number> (288)
959122-11-3

$$$$

csChFnd80/07171813082D

 28 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (289)
323

>  <Formula> (289)
C18H27N3O6S

>  <MolWeight> (289)
413.48848

>  <Item Name> (289)
Sumatriptan succinate

>  <Catalog Number> (289)
S1432

>  <Synonyms> (289)
Imigran, mitrex, Imitrex, Suminat, Sumitrex

>  <Target> (289)
5-HT Receptor

>  <Form> (289)
Succinate

>  <URL> (289)
http://www.selleckchem.com/products/Sumatriptan-succinate.html

>  <CAS Number> (289)
103628-48-4

$$$$
Tianeptine sodium salt.cdx
csChFnd80/07171813082D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (290)
324

>  <Formula> (290)
C21H24ClN2NaO4S

>  <MolWeight> (290)
458.93403

>  <Item Name> (290)
Tianeptine sodium

>  <Catalog Number> (290)
S1436

>  <Synonyms> (290)
Stablon, Coaxil, Tatinol

>  <Target> (290)
5-HT Receptor

>  <Form> (290)
Sodium Salt

>  <URL> (290)
http://www.selleckchem.com/products/Tianeptine-sodium-salt.html

>  <CAS Number> (290)
30123-17-2

$$$$
Topiramate.cdx
csChFnd80/07171813082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0382    2.1121    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
  4  7  1  6  0  0  0
  3  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  1  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  2  0  0  0  0
  1 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (291)
325

>  <Formula> (291)
C12H21NO8S

>  <MolWeight> (291)
339.36204

>  <Item Name> (291)
Topiramate

>  <Catalog Number> (291)
S1438

>  <Synonyms> (291)
Topamax

>  <Target> (291)
Carbonic Anhydrase

>  <Form> (291)
Free Base

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

>  <CAS Number> (291)
97240-79-4

$$$$
Tranilast.cdx
csChFnd80/07171813082D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2073    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9097    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2073    3.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    3.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9073    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3073    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    6.0706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3073    7.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1073    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4049    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1073    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5122    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2146    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5122    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2122    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6122    6.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5122    7.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1024    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    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
  5  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
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (292)
326

>  <Formula> (292)
C18H17NO5

>  <MolWeight> (292)
327.33128

>  <Item Name> (292)
Tranilast (SB 252218)

>  <Catalog Number> (292)
S1439

>  <Synonyms> (292)
Rizaben, MK 341, Tranpro

>  <Target> (292)
Immunology & Inflammation related

>  <Form> (292)
Free Base

>  <URL> (292)
http://www.selleckchem.com/products/Tranilast.html

>  <CAS Number> (292)
53902-12-8
53902-12-8

$$$$
Varenicline tartrate.cdx
csChFnd80/07171813082D

 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> (293)
327

>  <Formula> (293)
C17H19N3O6

>  <MolWeight> (293)
361.34926

>  <Item Name> (293)
Varenicline tartrate

>  <Catalog Number> (293)
S1440

>  <Synonyms> (293)
Chantix, Champix

>  <Target> (293)
AChR

>  <Form> (293)
Tartrate

>  <URL> (293)
http://www.selleckchem.com/products/Varenicline-tartrate.html

>  <CAS Number> (293)
375815-87-5

$$$$
Venlafaxine hydrochloride.cdx
csChFnd80/07171813082D

 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
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    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> (294)
328

>  <Formula> (294)
C17H28ClNO2

>  <MolWeight> (294)
313.86272

>  <Item Name> (294)
Venlafaxine HCl

>  <Catalog Number> (294)
S1441

>  <Synonyms> (294)
Effexor, Efexor 

>  <Target> (294)
5-HT Receptor

>  <Form> (294)
Hydrochloride

>  <URL> (294)
http://www.selleckchem.com/products/Venlafaxine-hydrochloride.html

>  <CAS Number> (294)
99300-78-4

$$$$
Voriconazole.cdx
csChFnd80/07171813082D

 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
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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
  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> (295)
329

>  <Formula> (295)
C16H14F3N5O

>  <MolWeight> (295)
349.3104696

>  <Item Name> (295)
Voriconazole

>  <Catalog Number> (295)
S1442

>  <Synonyms> (295)
Vfend

>  <Target> (295)
P450

>  <Form> (295)
Free Base

>  <URL> (295)
http://www.selleckchem.com/products/Voriconazole.html

>  <CAS Number> (295)
137234-62-9

$$$$
Zileuton.cdx
csChFnd80/07171813082D

 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
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  1  2  2  0  0  0  0
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  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  5  1  0  0  0  0
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 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> (296)
330

>  <Formula> (296)
C11H12N2O2S

>  <MolWeight> (296)
236.29018

>  <Item Name> (296)
Zileuton

>  <Catalog Number> (296)
S1443

>  <Synonyms> (296)
ZYFLO

>  <Target> (296)
Lipoxygenase

>  <Form> (296)
Free Base

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

>  <CAS Number> (296)
111406-87-2

$$$$
Ziprasidone hydrochloride.cdx
csChFnd80/07171813082D

 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
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   15.8901    3.7563    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2934    4.1890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6708    5.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2989    5.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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
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 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> (297)
331

>  <Formula> (297)
C21H22Cl2N4OS

>  <MolWeight> (297)
449.39658

>  <Item Name> (297)
Ziprasidone hydrochloride

>  <Catalog Number> (297)
S1444

>  <Synonyms> (297)
Geodon, Zeldox

>  <Target> (297)
5-HT Receptor,Dopamine Receptor

>  <Form> (297)
Hydrochloride

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

>  <CAS Number> (297)
122883-93-6

$$$$
Zonisamide.cdx
csChFnd80/07171813082D

 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
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    3.4004    1.8547    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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  6  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  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
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (298)
332

>  <Formula> (298)
C8H8N2O3S

>  <MolWeight> (298)
212.22572

>  <Item Name> (298)
Zonisamide

>  <Catalog Number> (298)
S1445

>  <Synonyms> (298)
Zonegran

>  <Target> (298)
Sodium Channel

>  <Form> (298)
Free Base

>  <URL> (298)
http://www.selleckchem.com/products/Zonisamide.html

>  <CAS Number> (298)
68291-97-4

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/07171813082D

 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
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   12.0991    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3611    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   24.2024    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.9900    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  3  9  1  0  0  0  0
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 14  8  1  0  0  0  0
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 15 18  2  0  0  0  0
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 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
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 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
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 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (299)
335

>  <Formula> (299)
C31H31ClFN7O2

>  <MolWeight> (299)
588.0749432

>  <Item Name> (299)
Aurora A Inhibitor I

>  <Catalog Number> (299)
S1451

>  <Synonyms> (299)
N/A

>  <Target> (299)
Aurora Kinase

>  <Form> (299)
Free Base

>  <URL> (299)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

>  <CAS Number> (299)
1158838-45-9

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/07171813082D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    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
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    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
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 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> (300)
336

>  <Formula> (300)
C30H33ClN4O2

>  <MolWeight> (300)
517.06162

>  <Item Name> (300)
Ispinesib (SB-715992)

>  <Catalog Number> (300)
S1452

>  <Synonyms> (300)
N/A 

>  <Target> (300)
Kinesin

>  <Form> (300)
Free Base

>  <URL> (300)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

>  <CAS Number> (300)
336113-53-2

$$$$
Tipifarnib.cdx
csChFnd80/07171813082D

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Farnesyltransferase, Ras

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Aurora Kinase

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PDE

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153259-65-5

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186497-07-4

$$$$
Thiazovivin.cdx
csChFnd80/07171813082D

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S1459

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ROCK

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Free Base

>  <URL> (305)
http://www.selleckchem.com/products/Thiazovivin.html

>  <CAS Number> (305)
1226056-71-8

$$$$
sp600125.cdx
csChFnd80/07171813082D

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JNK

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Free Base

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129-56-6

$$$$
FG-4592.cdx
csChFnd80/07171813082D

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C19H16N2O5

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352.34074

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Roxadustat (FG-4592)

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S1007

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N/A 

>  <Target> (307)
HIF

>  <Form> (307)
Free Base

>  <URL> (307)
http://www.selleckchem.com/products/fg-4592.html

>  <CAS Number> (307)
808118-40-3

$$$$
Marbofloxacin.cdx
csChFnd80/07171813082D

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346

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C17H19FN4O4

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362.3555632

>  <Item Name> (308)
Marbofloxacin

>  <Catalog Number> (308)
S1464

>  <Synonyms> (308)
Marbocyl, Zeniquin

>  <Target> (308)
Topoisomerase

>  <Form> (308)
Free Base

>  <URL> (308)
http://www.selleckchem.com/products/Marbofloxacin.html

>  <CAS Number> (308)
115550-35-1

$$$$
Calcitriol .cdx
csChFnd80/07171813082D

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347

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C27H44O3

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>  <Item Name> (309)
Calcitriol (Rocaltrol)

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S1466

>  <Synonyms> (309)
Calcijex, Silkis, Rocaltrol, Topitriol, Cholecalciferol 

>  <Target> (309)
Others

>  <Form> (309)
Free Base

>  <URL> (309)
http://www.selleckchem.com/products/Calcitriol-(Rocaltrol).html

>  <CAS Number> (309)
32222-06-3

$$$$
Doxercalciferol.cdx
csChFnd80/07171813082D

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348

>  <Formula> (310)
C28H44O2

>  <MolWeight> (310)
412.64776

>  <Item Name> (310)
Doxercalciferol (Hectorol)

>  <Catalog Number> (310)
S1467

>  <Synonyms> (310)
Hectorol

>  <Target> (310)
Vitamin

>  <Form> (310)
Free Base

>  <URL> (310)
http://www.selleckchem.com/products/Doxercalciferol(Hectorol).html

>  <CAS Number> (310)
54573-75-0

$$$$
Alfacalcidol.cdx
csChFnd80/07171813082D

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349

>  <Formula> (311)
C27H44O2

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400.63706

>  <Item Name> (311)
Alfacalcidol

>  <Catalog Number> (311)
S1468

>  <Synonyms> (311)
Alpha D3, Etalpha

>  <Target> (311)
Vitamin

>  <Form> (311)
Free Base

>  <URL> (311)
http://www.selleckchem.com/products/Alfacalcidol.html

>  <CAS Number> (311)
41294-56-8

$$$$
Moxifloxacin hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (312)
350

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C21H25ClFN3O4

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>  <Item Name> (312)
Moxifloxacin hydrochloride

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S1465

>  <Synonyms> (312)
Avelox, Avalox

>  <Target> (312)
Topoisomerase

>  <Form> (312)
Hydrochloride

>  <URL> (312)
http://www.selleckchem.com/products/Moxifloxacin.html

>  <CAS Number> (312)
186826-86-8

$$$$
Cyclamic acid.cdx
csChFnd80/07171813082D

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351

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C6H13NO3S

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Cyclamic acid

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S4015

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N/A

>  <Target> (313)
Others

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Free Base

>  <URL> (313)
http://www.selleckchem.com/products/cyclamic-acid.html

>  <CAS Number> (313)
100-88-9

$$$$
TSU-68 (SU6668).cdx
csChFnd80/07171813082D

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352

>  <Formula> (314)
C18H18N2O3

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>  <Item Name> (314)
Orantinib (TSU-68, SU6668)

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S1470

>  <Synonyms> (314)
NSC 702827

>  <Target> (314)
VEGFR, PDGFR , FGFR 

>  <Form> (314)
Free Base

>  <URL> (314)
http://www.selleckchem.com/products/TSU-68(SU6668).html

>  <CAS Number> (314)
252916-29-3

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csChFnd80/07171813082D

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353

>  <Formula> (315)
C18H23FN2O5S

>  <MolWeight> (315)
398.4490232

>  <Item Name> (315)
Safinamide Mesylate (FCE28073)

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S1472

>  <Synonyms> (315)
FCE-28073(R-isomer), PNU-151774E, NW-1015 

>  <Target> (315)
MAO

>  <Form> (315)
Mesylate

>  <URL> (315)
http://www.selleckchem.com/products/Safinamide-mesilate.html

>  <CAS Number> (315)
202825-46-5

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354

>  <Formula> (316)
C21H16F4N4O2

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GSK429286A

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S1474

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N/A

>  <Target> (316)
ROCK 

>  <Form> (316)
Free Base

>  <URL> (316)
http://www.selleckchem.com/products/GSK429286A.html

>  <CAS Number> (316)
864082-47-3

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355

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MSC1936369B, SAR 245509

>  <Target> (317)
MEK 

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Free Base

>  <URL> (317)
http://www.selleckchem.com/products/AS703026.html

>  <CAS Number> (317)
1236699-92-5

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TGF-beta/Smad

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N/A

>  <Target> (319)
HCV Protease

>  <Form> (319)
Free Base

>  <URL> (319)
http://www.selleckchem.com/products/VX-222.html

>  <CAS Number> (319)
1026785-55-6

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LY335979 (Zosuquidar trihydrochloride)

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RS-33295-198

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P-gp

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Trihydrochlorid

>  <URL> (320)
http://www.selleckchem.com/products/LY335979.html

>  <CAS Number> (320)
167465-36-3

$$$$
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HCV Protease

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>  <URL> (321)
http://www.selleckchem.com/products/BMS-790052.html

>  <CAS Number> (321)
1009119-64-5

$$$$
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5-HT Receptor

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Free Base

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133454-47-4

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HDAC 

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852475-26-4

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PLK 

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173529-46-9 

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EGFR, Flt, VEGFR, HER2

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>  <URL> (325)
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M  END
>  <Mol_ID> (326)
365

>  <Formula> (326)
C19H31N5O2

>  <MolWeight> (326)
361.48174

>  <Item Name> (326)
PHA-793887

>  <Catalog Number> (326)
S1487

>  <Synonyms> (326)
N/A

>  <Target> (326)
CDK

>  <Form> (326)
Free Base

>  <URL> (326)
http://www.selleckchem.com/products/PHA-793887.html

>  <CAS Number> (326)
718630-59-2

$$$$
Naratriptan Hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (327)
366

>  <Formula> (327)
C17H26ClN3O2S

>  <MolWeight> (327)
371.92524

>  <Item Name> (327)
Naratriptan HCl

>  <Catalog Number> (327)
S1488 

>  <Synonyms> (327)
Amerge, Naramig

>  <Target> (327)
5-HT Receptor

>  <Form> (327)
Hydrochloride

>  <URL> (327)
http://www.selleckchem.com/products/Naratriptan(Amerge).html

>  <CAS Number> (327)
143388-64-1

$$$$

csChFnd80/07171813082D

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M  END
>  <Mol_ID> (328)
367

>  <Formula> (328)
C14H16ClN3O4S2

>  <MolWeight> (328)
389.87754

>  <Item Name> (328)
PIK-93

>  <Catalog Number> (328)
S1489

>  <Synonyms> (328)
N/A

>  <Target> (328)
PI3K, VEGFR

>  <Form> (328)
Free Base

>  <URL> (328)
http://www.selleckchem.com/products/PIK-93.html

>  <CAS Number> (328)
593960-11-3

$$$$
AP24534.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (329)
368

>  <Formula> (329)
C29H27F3N6O

>  <MolWeight> (329)
532.5594896

>  <Item Name> (329)
Ponatinib (AP24534)

>  <Catalog Number> (329)
S1490

>  <Synonyms> (329)
N/A 

>  <Target> (329)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (329)
Free Base

>  <URL> (329)
http://www.selleckchem.com/products/AP24534.html

>  <CAS Number> (329)
943319-70-8

$$$$
LY2228820.cdx
csChFnd80/07171813082D

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 38 39  2  0  0  0  0
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M  END
>  <Mol_ID> (330)
370

>  <Formula> (330)
C26H37FN6O6S2

>  <MolWeight> (330)
612.7369832

>  <Item Name> (330)
LY2228820

>  <Catalog Number> (330)
S1494

>  <Synonyms> (330)
N/A

>  <Target> (330)
p38 MAPK

>  <Form> (330)
Dimesylate

>  <URL> (330)
http://www.selleckchem.com/products/LY2228820.html

>  <CAS Number> (330)
862507-23-1

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/07171813082D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   16.6699    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.0948    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0948    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8824    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12  5  1  0  0  0  0
  7 13  2  0  0  0  0
  3 14  1  0  0  0  0
  6 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  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
 20 21  1  0  0  0  0
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 26 27  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (331)
373

>  <Formula> (331)
C23H31NO7

>  <MolWeight> (331)
433.49474

>  <Item Name> (331)
Mycophenolate mofetil (CellCept)

>  <Catalog Number> (331)
S1501

>  <Synonyms> (331)
CellCept, RS 61443, TM-MMF

>  <Target> (331)
Dehydrogenase

>  <Form> (331)
Free Base

>  <URL> (331)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

>  <CAS Number> (331)
128794-94-5

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/07171813082D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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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
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    9.1573    6.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7622    3.9320    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  2  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
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (332)
374

>  <Formula> (332)
C10H14N4O4

>  <MolWeight> (332)
254.24256

>  <Item Name> (332)
Dyphylline (Dilor)

>  <Catalog Number> (332)
S1504

>  <Synonyms> (332)
Neothylline, Lufyllin, diprophylline

>  <Target> (332)
PDE

>  <Form> (332)
Free Base

>  <URL> (332)
http://www.selleckchem.com/products/Dyphylline(Dilor).html

>  <CAS Number> (332)
479-18-5

$$$$
AZACTAM (aztreonam).cdx
csChFnd80/07171813082D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.5792    3.3765    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5792    1.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    1.9765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    3.3765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5927    4.3630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9657    4.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5927    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9657    0.9900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9557    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  1  0  0  0
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  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
 12 13  1  0  0  0  0
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 15  5  1  0  0  0  0
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 27 17  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (333)
375

>  <Formula> (333)
C13H17N5O8S2

>  <MolWeight> (333)
435.43278

>  <Item Name> (333)
Aztreonam (Azactam, Cayston)

>  <Catalog Number> (333)
S1505

>  <Synonyms> (333)
Monobactam, SQ 26776, Squibb 26776 

>  <Target> (333)
Antifection

>  <Form> (333)
Free Base

>  <URL> (333)
http://www.selleckchem.com/products/Aztreonam(Azactam).html

>  <CAS Number> (333)
78110-38-0

$$$$
ACEON (perindopril erbumine).cdx
csChFnd80/07171813082D

 33 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    2.1944    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.6289    3.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7082    0.6890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3062    6.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3062    5.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (334)
376

>  <Formula> (334)
C23H43N3O5

>  <MolWeight> (334)
441.60462

>  <Item Name> (334)
Perindopril Erbumine (Aceon)

>  <Catalog Number> (334)
S1506

>  <Synonyms> (334)
Perindopril, Coversyl

>  <Target> (334)
RAAS

>  <Form> (334)
t-Butylamine

>  <URL> (334)
http://www.selleckchem.com/products/Perindopril-Erbumine(Aceon).html

>  <CAS Number> (334)
107133-36-8

$$$$
IRBESARTAN (irbesartan).cdx
csChFnd80/07171813082D

 32 36  0  0  0  0  0  0  0  0999 V2000
    6.8479    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8479    4.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0604    3.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2728    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0604    6.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4810    3.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4810    2.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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M  END
>  <Mol_ID> (335)
377

>  <Formula> (335)
C25H28N6O

>  <MolWeight> (335)
428.52942

>  <Item Name> (335)
Irbesartan (Avapro)

>  <Catalog Number> (335)
S1507

>  <Synonyms> (335)
BMS-186295, SR-47436                                                                          

>  <Target> (335)
RAAS

>  <Form> (335)
Free Base

>  <URL> (335)
http://www.selleckchem.com/products/Irbesartan(Avapro).html

>  <CAS Number> (335)
138402-11-6

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (336)
378

>  <Formula> (336)
C16H18FN3O3

>  <MolWeight> (336)
319.3308232

>  <Item Name> (336)
Norfloxacin (Norxacin)

>  <Catalog Number> (336)
S1509

>  <Synonyms> (336)
Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin 

>  <Target> (336)
Others

>  <Form> (336)
Free Base

>  <URL> (336)
http://www.selleckchem.com/products/Norfloxacin(Norxacin).html

>  <CAS Number> (336)
70458-96-7

$$$$
CIALIS (tadalafil).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (337)
379

>  <Formula> (337)
C22H19N3O4

>  <MolWeight> (337)
389.40396

>  <Item Name> (337)
Tadalafil (Cialis)

>  <Catalog Number> (337)
S1512

>  <Synonyms> (337)
IC 351

>  <Target> (337)
PDE

>  <Form> (337)
Free Base

>  <URL> (337)
http://www.selleckchem.com/products/Tadalafil(Cialis).html

>  <CAS Number> (337)
171596-29-5

$$$$
NEORAL (cyclosporine).cdx
csChFnd80/07171813082D

 85 85  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (338)
380

>  <Formula> (338)
C62H111N11O12

>  <MolWeight> (338)
1202.61124

>  <Item Name> (338)
Cyclosporine (Neoral)

>  <Catalog Number> (338)
S1514

>  <Synonyms> (338)
Sandimmune, Gengraf, Restasis, Atopica, Sangcya 

>  <Target> (338)
phosphatase

>  <Form> (338)
Free Base

>  <URL> (338)
http://www.selleckchem.com/products/Cyclosporine.html

>  <CAS Number> (338)
79217-60-0

$$$$
SB 939.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (339)
381

>  <Formula> (339)
C20H30N4O2

>  <MolWeight> (339)
358.4778

>  <Item Name> (339)
SB939 (Pracinostat)

>  <Catalog Number> (339)
S1515

>  <Synonyms> (339)
N/A 

>  <Target> (339)
HDAC

>  <Form> (339)
Free Base

>  <URL> (339)
http://www.selleckchem.com/products/SB939.html

>  <CAS Number> (339)
929016-96-6

$$$$
Cidofovir .cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (340)
382

>  <Formula> (340)
C8H14N3O6P

>  <MolWeight> (340)
279.187021

>  <Item Name> (340)
Cidofovir (Vistide)

>  <Catalog Number> (340)
S1516

>  <Synonyms> (340)
Vistide

>  <Target> (340)
Others

>  <Form> (340)
Free Base

>  <URL> (340)
http://www.selleckchem.com/products/Cidofovir.html

>  <CAS Number> (340)
113852-37-2

$$$$
NEOPROFEN (ibuprofen lysine).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (341)
383

>  <Formula> (341)
C19H32N2O4

>  <MolWeight> (341)
352.46838

>  <Item Name> (341)
Ibuprofen Lysine (NeoProfen)

>  <Catalog Number> (341)
S1518

>  <Synonyms> (341)
NeoProfen

>  <Target> (341)
COX

>  <Form> (341)
Lysine

>  <URL> (341)
http://www.selleckchem.com/products/Ibuprofen-Lysine(Motrin).html

>  <CAS Number> (341)
57469-77-9

$$$$
CCT129202.cdx
csChFnd80/07171813082D

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934162-61-5

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M  END
>  <Mol_ID> (350)
394

>  <Formula> (350)
C26H26N4O2

>  <MolWeight> (350)
426.51024

>  <Item Name> (350)
BIX 02188

>  <Catalog Number> (350)
S1530

>  <Synonyms> (350)
N/A

>  <Target> (350)
MEK 

>  <Form> (350)
Free Base

>  <URL> (350)
http://www.selleckchem.com/products/BIX-02188.html

>  <CAS Number> (350)
1094614-84-2

$$$$
BIX02189.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (351)
395

>  <Formula> (351)
C27H28N4O2

>  <MolWeight> (351)
440.53682

>  <Item Name> (351)
BIX 02189

>  <Catalog Number> (351)
S1531

>  <Synonyms> (351)
N/A

>  <Target> (351)
MEK 

>  <Form> (351)
Free Base

>  <URL> (351)
http://www.selleckchem.com/products/BIX-02189.html

>  <CAS Number> (351)
1094614-85-3

$$$$
Milnacipran hydrochloride.cdx
csChFnd80/07171813082D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (352)
396

>  <Formula> (352)
C15H23ClN2O

>  <MolWeight> (352)
282.80892

>  <Item Name> (352)
Milnacipran HCl

>  <Catalog Number> (352)
S3140

>  <Synonyms> (352)
N/A

>  <Target> (352)
5-HT Receptor

>  <Form> (352)
HCl

>  <URL> (352)
http://www.selleckchem.com/products/milnacipran-hydrochloride.html

>  <CAS Number> (352)
101152-94-7

$$$$
Darifenacin hydrobromide.cdx
csChFnd80/07171813082D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (353)
397

>  <Formula> (353)
C28H31BrN2O2

>  <MolWeight> (353)
507.46194

>  <Item Name> (353)
Darifenacin HBr

>  <Catalog Number> (353)
S3144

>  <Synonyms> (353)
N/A 

>  <Target> (353)
AChR

>  <Form> (353)
HBr

>  <URL> (353)
http://www.selleckchem.com/products/darifenacin-hydrobromide.html

>  <CAS Number> (353)
133099-07-7

$$$$
Tripelennamine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (354)
398

>  <Formula> (354)
C16H22ClN3

>  <MolWeight> (354)
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Syk 

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M  END
>  <Mol_ID> (360)
405

>  <Formula> (360)
C21H25ClO6

>  <MolWeight> (360)
408.8726

>  <Item Name> (360)
Dapagliflozin

>  <Catalog Number> (360)
S1548

>  <Synonyms> (360)
BMS-512148

>  <Target> (360)
SGLT 

>  <Form> (360)
Free Base

>  <URL> (360)
http://www.selleckchem.com/products/Dapagliflozin.html

>  <CAS Number> (360)
461432-26-8

$$$$
Pimobendan.cdx
csChFnd80/07171813082D

 25 28  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
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M  END
>  <Mol_ID> (361)
406

>  <Formula> (361)
C19H18N4O2

>  <MolWeight> (361)
334.37182

>  <Item Name> (361)
Pimobendan (Vetmedin)

>  <Catalog Number> (361)
S1550

>  <Synonyms> (361)
Acardi, pimobendane

>  <Target> (361)
PDE

>  <Form> (361)
Free Base

>  <URL> (361)
http://www.selleckchem.com/products/Pimobendan(Vetmedin).html

>  <CAS Number> (361)
74150-27-9

$$$$
ABELCET (amphotericin b).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (362)
407

>  <Formula> (362)
C47H73NO17

>  <MolWeight> (362)
924.07902

>  <Item Name> (362)
Amphotericin B

>  <Catalog Number> (362)
S1636

>  <Synonyms> (362)
N/A

>  <Target> (362)
Antifection

>  <Form> (362)
Free Base

>  <URL> (362)
http://www.selleckchem.com/products/Amphotericin-B(Abelcet).

>  <CAS Number> (362)
1397-89-3

$$$$
Azelastine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (363)
408

>  <Formula> (363)
C22H25Cl2N3O

>  <MolWeight> (363)
418.3594

>  <Item Name> (363)
Azelastine hydrochloride (Astelin)

>  <Catalog Number> (363)
S2552 

>  <Synonyms> (363)
Allergodil, Rhinolast, Astelin, Optilas, Optivar 

>  <Target> (363)
Histamine Receptor

>  <Form> (363)
Hydrochloride

>  <URL> (363)
http://www.selleckchem.com/products/Azelastine-hydrochloride-Astelin.html

>  <CAS Number> (363)
79307-93-0

$$$$
Clarithromycin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (364)
409

>  <Formula> (364)
C38H69NO13

>  <MolWeight> (364)
747.95336

>  <Item Name> (364)
Clarithromycin (Biaxin, Klacid)

>  <Catalog Number> (364)
S2555

>  <Synonyms> (364)
Crixan, Klaricid, Klabax, Claripen, Clarem, Claridar, Fromilid, Clacid, Clacee, Vikrol, Infex, Clari 

>  <Target> (364)
P450

>  <Form> (364)
Free Base

>  <URL> (364)
http://www.selleckchem.com/products/clarithromycin.html

>  <CAS Number> (364)
81103-11-9

$$$$
AZD 8055.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (365)
410

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C25H31N5O4

>  <MolWeight> (365)
465.54474

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AZD8055

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S1555

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N/A 

>  <Target> (365)
mTOR

>  <Form> (365)
Free Base

>  <URL> (365)
http://www.selleckchem.com/products/AZD8055.html

>  <CAS Number> (365)
1009298-09-2

$$$$
EX527.cdx
csChFnd80/07171813082D

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411

>  <Formula> (366)
C13H13ClN2O

>  <MolWeight> (366)
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>  <Item Name> (366)
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>  <Target> (366)
Sirtuin

>  <Form> (366)
Free Base

>  <URL> (366)
http://www.selleckchem.com/products/EX-527.html

>  <CAS Number> (366)
49843-98-3

$$$$
PHT-427.cdx
csChFnd80/07171813082D

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412

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C20H31N3O2S2

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PHT-427

>  <Catalog Number> (367)
S1556

>  <Synonyms> (367)
N/A 

>  <Target> (367)
Akt, PDK-1

>  <Form> (367)
Free Base

>  <URL> (367)
http://www.selleckchem.com/products/PHT-427.html

>  <CAS Number> (367)
1191951-57-1

$$$$

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>  <Mol_ID> (368)
413

>  <Formula> (368)
C28H38N12O6S

>  <MolWeight> (368)
670.74312

>  <Item Name> (368)
Abacavir sulfate

>  <Catalog Number> (368)
S3165

>  <Synonyms> (368)
N/A 

>  <Target> (368)
Reverse Transcriptase

>  <Form> (368)
Sulfate

>  <URL> (368)
http://www.selleckchem.com/products/abacavir-sulfate.html

>  <CAS Number> (368)
188062-50-2

$$$$
Amikacin hydrate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (369)
414

>  <Formula> (369)
C22H45N5O14R

>  <MolWeight> (369)
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>  <Item Name> (369)
Amikacin hydrate

>  <Catalog Number> (369)
S3122

>  <Synonyms> (369)
N/A 

>  <Target> (369)
Antifection

>  <Form> (369)
Hydrate

>  <URL> (369)
http://www.selleckchem.com/products/amikacin-hydrate.html

>  <CAS Number> (369)
1257517-67-1

$$$$
KRN633.cdx
csChFnd80/07171813082D

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Akt, S6 kinase

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857531-00-1

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c-Met

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1025720-94-8

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CFTR

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421

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C16H13BrF3IN2O4

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561.0890996

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PD318088

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S1568

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N/A

>  <Target> (375)
MEK 

>  <Form> (375)
Free Base

>  <URL> (375)
http://www.selleckchem.com/products/PD318088.html

>  <CAS Number> (375)
391210-00-7 

$$$$
AVAGE (tazarotene).cdx
csChFnd80/07171813082D

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422

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C21H21NO2S

>  <MolWeight> (376)
351.46194

>  <Item Name> (376)
Tazarotene (Avage)

>  <Catalog Number> (376)
S1569

>  <Synonyms> (376)
Tazorac, Avage, Zora

>  <Target> (376)
Retinoid Receptor

>  <Form> (376)
Free Base

>  <URL> (376)
http://www.selleckchem.com/products/Tazarotene(Avage).html

>  <CAS Number> (376)
118292-40-3

$$$$
KU-60019.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (377)
423

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C30H33N3O5S

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KU-60019

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S1570

>  <Synonyms> (377)
N/A

>  <Target> (377)
ATM 

>  <Form> (377)
Free Base

>  <URL> (377)
http://www.selleckchem.com/products/KU-60019.html

>  <CAS Number> (377)
925701-49-1

$$$$
BS-181.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (378)
425

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C22H33ClN6

>  <MolWeight> (378)
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>  <Item Name> (378)
BS-181 HCl

>  <Catalog Number> (378)
S1572

>  <Synonyms> (378)
N/A

>  <Target> (378)
CDK 

>  <Form> (378)
Hydrochloride

>  <URL> (378)
http://www.selleckchem.com/products/BS-181.html

>  <CAS Number> (378)
1397219-81-6

$$$$
Fasudil HCl.cdx
csChFnd80/07171813082D

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    9.1248    2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    4.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (379)
426

>  <Formula> (379)
C14H18ClN3O2S

>  <MolWeight> (379)
327.82962

>  <Item Name> (379)
Fasudil HCl (HA-1077)

>  <Catalog Number> (379)
S1573

>  <Synonyms> (379)
AT-877 

>  <Target> (379)
ROCK

>  <Form> (379)
Hydrochloride

>  <URL> (379)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (379)
105628-07-7

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/07171813082D

 39 43  0  0  0  0  0  0  0  0999 V2000
    8.3036    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    8.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3532    8.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18 20  2  0  0  0  0
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 21 24  1  0  0  0  0
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 23 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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 33 28  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 37 38  1  0  0  0  0
 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (380)
427

>  <Formula> (380)
C31H37N5O3

>  <MolWeight> (380)
527.65718

>  <Item Name> (380)
BIRB 796 (Doramapimod)

>  <Catalog Number> (380)
S1574

>  <Synonyms> (380)
N/A

>  <Target> (380)
p38 MAPK

>  <Form> (380)
Free Base

>  <URL> (380)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (380)
285983-48-4

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/07171813082D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8455    2.1000    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    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 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
    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
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    0.0000    0.7024    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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M  END
>  <Mol_ID> (381)
429

>  <Formula> (381)
C26H21N3O2S

>  <MolWeight> (381)
439.52884

>  <Item Name> (381)
Tie2 kinase inhibitor

>  <Catalog Number> (381)
S1577

>  <Synonyms> (381)
N/A

>  <Target> (381)
Tie-2

>  <Form> (381)
Free Base

>  <URL> (381)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

>  <CAS Number> (381)
948557-43-5

$$$$
Candesartan.cdx
csChFnd80/07171813082D

 33 37  0  0  0  0  0  0  0  0999 V2000
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   11.2840    3.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 31 32  1  0  0  0  0
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M  END
>  <Mol_ID> (382)
430

>  <Formula> (382)
C24H20N6O3

>  <MolWeight> (382)
440.454

>  <Item Name> (382)
Candesartan (Atacand)

>  <Catalog Number> (382)
S1578

>  <Synonyms> (382)
Atacand, Blopress, Amias, Ratacand

>  <Target> (382)
RAAS

>  <Form> (382)
Free Base

>  <URL> (382)
http://www.selleckchem.com/products/Candesartan(Atacand).html

>  <CAS Number> (382)
139481-59-7

$$$$
Altrenogest.cdx
csChFnd80/07171813082D

 25 28  0  0  0  0  0  0  0  0999 V2000
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850-52-2

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Factor Xa 

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503612-47-3

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Gamma-secretase

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Free Base

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http://www.selleckchem.com/products/Semagacestat(LY450139).html

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425386-60-3

$$$$
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M  END
>  <Mol_ID> (387)
439

>  <Formula> (387)
C27H30Cl2F2N6O

>  <MolWeight> (387)
563.4695064

>  <Item Name> (387)
NVP-BSK805 2HCl

>  <Catalog Number> (387)
S2686 

>  <Synonyms> (387)
N/A

>  <Target> (387)
JAK

>  <Form> (387)
HCl

>  <URL> (387)
http://www.selleckchem.com/products/nvp-bsk805.html

>  <CAS Number> (387)
1092499-93-8 (free base)

$$$$
Furosemide.cdx
csChFnd80/07171813082D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    3.6289    6.9903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7087    9.9132    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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  6  1  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  0  0  0  0
  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
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 21  9  1  0  0  0  0
M  END
>  <Mol_ID> (388)
440

>  <Formula> (388)
C12H11ClN2O5S

>  <MolWeight> (388)
330.74414

>  <Item Name> (388)
Furosemide (Lasix)

>  <Catalog Number> (388)
S1603

>  <Synonyms> (388)
Lasix, Frusemide

>  <Target> (388)
Sodium Channel

>  <Form> (388)
Free Base

>  <URL> (388)
http://www.selleckchem.com/products/Furosemide(Lasix).html

>  <CAS Number> (388)
54-31-9

$$$$
CEFDINIR (cefdinir).cdx
csChFnd80/07171813082D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   11.0528    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4404    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.0528    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
  8 14  2  0  0  0  0
  1 15  1  6  0  0  0
  7 16  1  6  0  0  0
  7 17  1  1  0  0  0
 17 18  1  0  0  0  0
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 18 20  2  0  0  0  0
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 27 21  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (389)
441

>  <Formula> (389)
C14H13N5O5S2

>  <MolWeight> (389)
395.41352

>  <Item Name> (389)
Cefdinir (Omnicef)

>  <Catalog Number> (389)
S1605

>  <Synonyms> (389)
FK-482, BMY-28488, PD 134393, CI-983 

>  <Target> (389)
Antifection

>  <Form> (389)
Free Base

>  <URL> (389)
http://www.selleckchem.com/products/Cefdinir(Omnicef).html

>  <CAS Number> (389)
91832-40-5

$$$$
LOTRIMIN (clotrimazole).cdx
csChFnd80/07171813082D

 25 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
    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
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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  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
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 13  8  1  0  0  0  0
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 14 15  2  0  0  0  0
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 19 14  1  0  0  0  0
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  9 25  1  0  0  0  0
M  END
>  <Mol_ID> (390)
442

>  <Formula> (390)
C22H17ClN2

>  <MolWeight> (390)
344.83678

>  <Item Name> (390)
Clotrimazole (Canesten)

>  <Catalog Number> (390)
S1606

>  <Synonyms> (390)
Lotrimin, Mycelex, Canesten

>  <Target> (390)
Antifection

>  <Form> (390)
Free Base

>  <URL> (390)
http://www.selleckchem.com/products/Clotrimazole(Canesten).html

>  <CAS Number> (390)
23593-75-1

$$$$
MAXALT (rizatriptan benzoate).cdx
csChFnd80/07171813082D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.2471    4.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0801    3.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9930    5.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9930    4.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2054    3.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4179    4.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4179    5.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2054    6.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2054    2.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4137    1.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9972    1.7834    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
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
  7 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
 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
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (391)
443

>  <Formula> (391)
C22H25N5O2

>  <MolWeight> (391)
391.4662

>  <Item Name> (391)
Rizatriptan Benzoate (Maxalt)

>  <Catalog Number> (391)
S1607

>  <Synonyms> (391)
MK-462, Maxalt

>  <Target> (391)
NULL

>  <Form> (391)
Benzoate

>  <URL> (391)
http://www.selleckchem.com/products/Rizatriptan-Benzoate(Maxalt).html

>  <CAS Number> (391)
145202-66-0

$$$$
MESTINON (pyridostigmine bromide).cdx
csChFnd80/07171813082D

 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
    4.8497    3.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.7463    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4955    4.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5405    0.0000    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
  6  7  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
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (392)
444

>  <Formula> (392)
C9H13BrN2O2

>  <MolWeight> (392)
261.11572

>  <Item Name> (392)
Pyridostigmine Bromide (Mestinon)

>  <Catalog Number> (392)
S1608

>  <Synonyms> (392)
N/A

>  <Target> (392)
AChR

>  <Form> (392)
Bromide

>  <URL> (392)
http://www.selleckchem.com/products/Pyridostigmine-Bromide(Mestinon).html

>  <CAS Number> (392)
101-26-8

$$$$
METHIMAZOLE (methimazole).cdx
csChFnd80/07171813082D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.8326    3.5495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (393)
445

>  <Formula> (393)
C4H6N2S

>  <MolWeight> (393)
114.16884

>  <Item Name> (393)
Methimazole (Tapazole, Northyx)

>  <Catalog Number> (393)
S1609

>  <Synonyms> (393)
Basolan, Metazolo, Thiamazole

>  <Target> (393)
Others

>  <Form> (393)
Free Base

>  <URL> (393)
http://www.selleckchem.com/products/Methimazole(Tapazole).html

>  <CAS Number> (393)
60-56-0

$$$$
METOLAZONE (metolazone).cdx
csChFnd80/07171813082D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7976    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
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0580    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8951    0.0000 Cl  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 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1951    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
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
  7 16  2  0  0  0  0
  9 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (394)
446

>  <Formula> (394)
C16H16ClN3O3S

>  <MolWeight> (394)
365.83454

>  <Item Name> (394)
Metolazone (Zaroxolyn)

>  <Catalog Number> (394)
S1610

>  <Synonyms> (394)
Mykrox, Zaroxolyn, Diulo

>  <Target> (394)
Others

>  <Form> (394)
Free Base

>  <URL> (394)
http://www.selleckchem.com/products/Metolazone(Zaroxolyn).html

>  <CAS Number> (394)
17560-51-9

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/07171813082D

 34 38  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
    6.0496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8059    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2040    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6203    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1582    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5096    5.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8610    5.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6203    1.4125    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  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  2  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  1  1  0  0  0
 12 20  1  1  0  0  0
 17 21  1  1  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 23 24  1  0  0  0  0
 19 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 19  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
  9 33  1  1  0  0  0
 11 34  1  6  0  0  0
M  END
>  <Mol_ID> (395)
447

>  <Formula> (395)
C29H35NO2

>  <MolWeight> (395)
429.5937

>  <Item Name> (395)
Mifepristone (Mifeprex)

>  <Catalog Number> (395)
S2606

>  <Synonyms> (395)
RU-486, Mifegyne 

>  <Target> (395)
Estrogen/progestogen Receptor

>  <Form> (395)
Free Base

>  <URL> (395)
http://www.selleckchem.com/products/Mifepristone(Mifeprex).html

>  <CAS Number> (395)
84371-65-3

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/07171813082D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.5495    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    0.2674    0.0000 N   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
    7.1826    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0908    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6033    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6908    0.8876    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  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (396)
448

>  <Formula> (396)
C8H5F3N2OS

>  <MolWeight> (396)
234.1983096

>  <Item Name> (396)
Riluzole (Rilutek)

>  <Catalog Number> (396)
S1614

>  <Synonyms> (396)
PK-26124, RP-54274, Rilutek

>  <Target> (396)
Sodium Channel

>  <Form> (396)
Free Base

>  <URL> (396)
http://www.selleckchem.com/products/Riluzole(Rilutek).html

>  <CAS Number> (396)
1744-22-5

$$$$
RISPERIDONE (risperidone).cdx
csChFnd80/07171813082D

 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
   12.6402    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   15.0651    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    6.5785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2775    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4900    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (397)
449

>  <Formula> (397)
C23H27FN4O2

>  <MolWeight> (397)
410.4844832

>  <Item Name> (397)
Risperidone (Risperdal)

>  <Catalog Number> (397)
S1615

>  <Synonyms> (397)
R 64 766, Risperdal

>  <Target> (397)
5-HT Receptor

>  <Form> (397)
Free Base

>  <URL> (397)
http://www.selleckchem.com/products/Risperidone(Risperdal).html

>  <CAS Number> (397)
106266-06-2

$$$$
Artemether.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (398)
450

>  <Formula> (398)
C16H26O5

>  <MolWeight> (398)
298.37464

>  <Item Name> (398)
Artemether

>  <Catalog Number> (398)
S2264

>  <Synonyms> (398)
SM-224, CGP 56696

>  <Target> (398)
Antifection

>  <Form> (398)
Free Base

>  <URL> (398)
http://www.selleckchem.com/products/Artemether(SM-224).html

>  <CAS Number> (398)
71963-77-4

$$$$
SULLA (sulfameter).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (399)
451

>  <Formula> (399)
C11H12N4O3S

>  <MolWeight> (399)
280.30298

>  <Item Name> (399)
Sulfameter (Bayrena)

>  <Catalog Number> (399)
S1618

>  <Synonyms> (399)
Sulfamethoxydiazine, Sulfametin, Sulfametorine, Sulfamethoxine, AHR-857, Berlicid 

>  <Target> (399)
DHFR

>  <Form> (399)
Free Base

>  <URL> (399)
http://www.selleckchem.com/products/Sulfameter(Bayrena).html

>  <CAS Number> (399)
651-06-9

$$$$
Prilocaine.cdx
csChFnd80/07171813082D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (400)
452

>  <Formula> (400)
C13H20N2O

>  <MolWeight> (400)
220.3107

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Prilocaine

>  <Catalog Number> (400)
S1619

>  <Synonyms> (400)
N/A

>  <Target> (400)
Sodium Channel

>  <Form> (400)
Free Base

>  <URL> (400)
http://www.selleckchem.com/products/Prilocaine.html

>  <CAS Number> (400)
721-50-6

$$$$
FERNISONE (prednisone).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (401)
453

>  <Formula> (401)
C21H26O5

>  <MolWeight> (401)
358.42814

>  <Item Name> (401)
Prednisone (Adasone)

>  <Catalog Number> (401)
S1622

>  <Synonyms> (401)
Deltasone, Liquid Pred, Orasone, Adasone

>  <Target> (401)
Glucocorticoid Receptor

>  <Form> (401)
Free Base

>  <URL> (401)
http://www.selleckchem.com/products/Prednisone.html

>  <CAS Number> (401)
53-03-2

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/07171813082D

 11 10  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (402)
454

>  <Formula> (402)
C5H9NO3S

>  <MolWeight> (402)
163.19486

>  <Item Name> (402)
Acetylcysteine

>  <Catalog Number> (402)
S1623

>  <Synonyms> (402)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (402)
AChR

>  <Form> (402)
Free Base

>  <URL> (402)
http://www.selleckchem.com/products/Acetylcysteine.html

>  <CAS Number> (402)
616-91-1

$$$$
ALENDRONATE SODIUM (alendronate sodium).cdx
csChFnd80/07171813082D

 18 13  0  0  0  0  0  0  0  0999 V2000
    2.8316    3.0899    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0440    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2565    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4647    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6729    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8811    2.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8215    4.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192    3.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4064    1.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0641    0.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0340    3.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5833   26.2775    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    8.0686   12.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686   12.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3686   11.1658    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  7  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (403)
455

>  <Formula> (403)
C4H19NNaO10P2

>  <MolWeight> (403)
326.131652

>  <Item Name> (403)
Alendronate sodium trihydrate

>  <Catalog Number> (403)
S1624

>  <Synonyms> (403)
N/A

>  <Target> (403)
Others

>  <Form> (403)
Sodium Salt

>  <URL> (403)
http://www.selleckchem.com/products/Alendronate-Sodium(Fosamax).html

>  <CAS Number> (403)
121268-17-5

$$$$
ALESSE (ethinyl estradiol).cdx
csChFnd80/07171813082D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    8.6019    6.0326    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
    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
  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
  9 19  1  1  0  0  0
 12 20  1  1  0  0  0
 17 21  1  1  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 17 24  1  6  0  0  0
 24 25  3  0  0  0  0
M  END
>  <Mol_ID> (404)
456

>  <Formula> (404)
C20H24O2

>  <MolWeight> (404)
296.40336

>  <Item Name> (404)
Ethinyl Estradiol

>  <Catalog Number> (404)
S1625

>  <Synonyms> (404)
Ethynylestradiol

>  <Target> (404)
Estrogen/progestogen Receptor

>  <Form> (404)
Free Base

>  <URL> (404)
http://www.selleckchem.com/products/Ethinyl-Estradiol.html

>  <CAS Number> (404)
57-63-6

$$$$
Naproxen sodium.cdx
csChFnd80/07171813082D

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1033    2.0976    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 13 18  1  6  0  0  0
M  END
>  <Mol_ID> (405)
457

>  <Formula> (405)
C14H13NaO3

>  <MolWeight> (405)
252.24099

>  <Item Name> (405)
Naproxen Sodium

>  <Catalog Number> (405)
S1626

>  <Synonyms> (405)
Anaprox, Naprelan 

>  <Target> (405)
COX

>  <Form> (405)
Sodium Salt

>  <URL> (405)
http://www.selleckchem.com/products/Naproxen-Sodium(Aleve).html

>  <CAS Number> (405)
26159-34-2

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/07171813082D

 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
    1.2040    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    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
    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 O   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
    1.2082    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5325    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7693    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3999    4.1899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    5.7555    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5167    6.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3852    5.9938    0.0000 O   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
  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
  5 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 14  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (406)
458

>  <Formula> (406)
C12H9N3O5S

>  <MolWeight> (406)
307.28196

>  <Item Name> (406)
Nitazoxanide (Alinia, Annita)

>  <Catalog Number> (406)
S1627

>  <Synonyms> (406)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (406)
Others

>  <Form> (406)
Free Base

>  <URL> (406)
http://www.selleckchem.com/products/Nitazoxanide(Alinia).html

>  <CAS Number> (406)
55981-09-4

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/07171813082D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4563    6.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    7.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6119    7.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 16 26  1  6  0  0  0
 17 28  1  6  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 23 33  2  0  0  0  0
M  END
>  <Mol_ID> (407)
459

>  <Formula> (407)
C24H31FO6

>  <MolWeight> (407)
434.4977432

>  <Item Name> (407)
Triamcinolone Acetonide

>  <Catalog Number> (407)
S1628

>  <Synonyms> (407)
Azmacort

>  <Target> (407)
Glucocorticoid Receptor

>  <Form> (407)
Free Base

>  <URL> (407)
http://www.selleckchem.com/products/Triamcinolone-Acetonide.html

>  <CAS Number> (407)
76-25-5 

$$$$
ALLI (orlistat).cdx
csChFnd80/07171813082D

 35 35  0  0  0  0  0  0  0  0999 V2000
    7.0267    6.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267    5.3121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
    6.0368    7.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4216    4.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    4.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    4.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7739    4.6845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1362    6.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4885    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8508    7.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2031    8.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5655    9.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9178    9.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2801   11.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6324   11.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9948   12.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3471   13.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7094   14.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7638    3.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1161    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4785    5.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1061    3.0669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4015    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3914    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7437    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4583    3.4293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4483    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8006    2.8017    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  1  1  0  0  0  0
  1  5  2  0  0  0  0
  3  6  1  1  0  0  0
  2  7  1  6  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
  6 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
 13 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 28  1  0  0  0  0
 30 32  1  0  0  0  0
 28 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <Mol_ID> (408)
460

>  <Formula> (408)
C29H53NO5

>  <MolWeight> (408)
495.73482

>  <Item Name> (408)
Orlistat (Alli, Xenical)

>  <Catalog Number> (408)
S1629

>  <Synonyms> (408)
Tetrahydrolipstatin

>  <Target> (408)
Lipase

>  <Form> (408)
Free Base

>  <URL> (408)
http://www.selleckchem.com/products/Orlistat(Alli).html

>  <CAS Number> (408)
96829-58-2

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/07171813082D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7834    3.2220    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (409)
462

>  <Formula> (409)
C5H4N4NaO+

>  <MolWeight> (409)
159.10123

>  <Item Name> (409)
Allopurinol Sodium (Aloprim)

>  <Catalog Number> (409)
S1631

>  <Synonyms> (409)
 Lopurin, Zyloprim, Aloprim

>  <Target> (409)
Others

>  <Form> (409)
Sodium Salt

>  <URL> (409)
http://www.selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

>  <CAS Number> (409)
17795-21-0

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/07171813082D

 41 45  0  0  0  0  0  0  0  0999 V2000
    9.3726    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3726    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    1.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5270    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7395    3.8571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230    3.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    1.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    3.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    1.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1881    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1352    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1352    4.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4998    5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4366    4.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8060    4.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2386    5.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3019    6.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9325    6.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9989    7.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4300    8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6033    6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5368    5.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0344    7.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3991    7.6982    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.7514    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6991    8.9106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0991    6.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7413    7.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0936    7.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4560    8.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4660    9.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1137    9.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1272   10.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  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  2  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
  7 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 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
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
 33 36  2  0  0  0  0
 36 37  1  0  0  0  0
 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> (410)
463

>  <Formula> (410)
C31H33N3O6S

>  <MolWeight> (410)
575.67522

>  <Item Name> (410)
Zafirlukast (Accolate)

>  <Catalog Number> (410)
S1633

>  <Synonyms> (410)
Accolate, Accoleit, Vanticon

>  <Target> (410)
LTR

>  <Form> (410)
Free Base

>  <URL> (410)
http://www.selleckchem.com/products/Zafirlukast(Accolate).html

>  <CAS Number> (410)
107753-78-6

$$$$
Oxacillin sodium monohydrate.cdx
csChFnd80/07171813082D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.7353    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8679    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4353    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    4.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    5.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    5.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1948    0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2553    3.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6428    3.1372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6879    4.5576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    4.2659    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8629    4.2659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8629    5.6659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    5.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    3.8333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0172    4.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    6.0986    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4763    6.6524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2297    5.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2297    4.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6255    7.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6446    2.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    8.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9901    7.7155    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.1396    7.6708    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.1784    1.1083    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  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 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 14  1  6  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 16  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 18  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  1  0  0  0
 17 27  1  1  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (411)
464

>  <Formula> (411)
C19H20N3NaO6S

>  <MolWeight> (411)
441.43337

>  <Item Name> (411)
Oxacillin sodium monohydrate

>  <Catalog Number> (411)
S2563

>  <Synonyms> (411)
N/A

>  <Target> (411)
Antifection

>  <Form> (411)
Sodium Salt & hydrate

>  <URL> (411)
http://www.selleckchem.com/products/Oxacillin-sodium-monohydrate.html

>  <CAS Number> (411)
7240-38-2

$$$$
ACHES-N-PAIN (ibuprofen).cdx
csChFnd80/07171813082D

 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
  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
  8 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
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (412)
466

>  <Formula> (412)
C13H18O2

>  <MolWeight> (412)
206.28082

>  <Item Name> (412)
Ibuprofen (Advil)

>  <Catalog Number> (412)
S1638

>  <Synonyms> (412)
Brufen, Nurofen, Motrin 

>  <Target> (412)
COX

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/Ibuprofen(Advil).html

>  <CAS Number> (412)
15687-27-1

$$$$
ALBENZA (albendazole).cdx
csChFnd80/07171813082D

 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
   10.8073    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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
 12 13  1  0  0  0  0
  8 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
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (413)
467

>  <Formula> (413)
C12H15N3O2S

>  <MolWeight> (413)
265.3314

>  <Item Name> (413)
Albendazole (Albenza)

>  <Catalog Number> (413)
S1640

>  <Synonyms> (413)
Albenza, Eskazole, Zentel, Andazol 

>  <Target> (413)
Microtubule Associated

>  <Form> (413)
Free Base

>  <URL> (413)
http://www.selleckchem.com/products/Albendazole(Albenza).html

>  <CAS Number> (413)
54965-21-8

$$$$
ALDOCLOR-250 (chlorothiazide).cdx
csChFnd80/07171813082D

 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
  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  2  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
 12 14  2  0  0  0  0
 12 15  2  0  0  0  0
  7 16  2  0  0  0  0
  7 17  2  0  0  0  0
M  END
>  <Mol_ID> (414)
468

>  <Formula> (414)
C7H6ClN3O4S2

>  <MolWeight> (414)
295.72324

>  <Item Name> (414)
Chlorothiazide

>  <Catalog Number> (414)
S1641

>  <Synonyms> (414)
Diuril, Chlotride

>  <Target> (414)
Others

>  <Form> (414)
Free Base

>  <URL> (414)
http://www.selleckchem.com/products/Chlorothiazide(Diuril).html

>  <CAS Number> (414)
58-94-6

$$$$
ALDOMET (methyldopa).cdx
csChFnd80/07171813082D

 15 15  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  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  1  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
    8.4955    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.7073    0.0000 N   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
    5.3682    3.3240    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  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 10 15  1  6  0  0  0
M  END
>  <Mol_ID> (415)
469

>  <Formula> (415)
C10H13NO4

>  <MolWeight> (415)
211.21452

>  <Item Name> (415)
Methyldopa (Aldomet)

>  <Catalog Number> (415)
S1642

>  <Synonyms> (415)
Aldoril 

>  <Target> (415)
Others

>  <Form> (415)
Free Base

>  <URL> (415)
http://www.selleckchem.com/products/Methyldopa(Aldomet).html

>  <CAS Number> (415)
555-30-6

$$$$
ACTIGALL (ursodiol).cdx
csChFnd80/07171813082D

 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
    8.6019    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    5.3326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    6.6595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431    7.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3896    6.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500    5.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7065    6.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6669    5.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1028    7.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    5.3326    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
  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
  5 18  1  1  0  0  0
  4 19  1  1  0  0  0
  8 20  1  1  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
  2 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 23 27  1  6  0  0  0
 23 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
 17 23  1  0  0  0  0
 17 33  1  6  0  0  0
M  END
>  <Mol_ID> (416)
470

>  <Formula> (416)
C24H40O4

>  <MolWeight> (416)
392.572

>  <Item Name> (416)
Ursodiol (Actigal Urso)

>  <Catalog Number> (416)
S1643

>  <Synonyms> (416)
Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk, Urso Forte, Udiliv 

>  <Target> (416)
Others

>  <Form> (416)
Free Base

>  <URL> (416)
http://www.selleckchem.com/products/Ursodiol(Actigal).html

>  <CAS Number> (416)
128-13-2

$$$$
ACTIN-N (nitrofurazone).cdx
csChFnd80/07171813082D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.3950    2.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616    1.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6650    2.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732    3.4916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    3.2282    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0173    2.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073    1.9799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596    2.3422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3495    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7018    1.7146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9872    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3471    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8690    4.6109    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  1  1  0  0  0  0
  1  6  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  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
M  END
>  <Mol_ID> (417)
471

>  <Formula> (417)
C6H6N4O4

>  <MolWeight> (417)
198.13624

>  <Item Name> (417)
Nitrofurazone (Nitrofural)

>  <Catalog Number> (417)
S1644

>  <Synonyms> (417)
Nitrofural, Furacilin, ACTIN-N, Otofuran 

>  <Target> (417)
Antifection

>  <Form> (417)
Free Base

>  <URL> (417)
http://www.selleckchem.com/products/Nitrofurazone(ACTIN-N).html

>  <CAS Number> (417)
59-87-0

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/07171813082D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (418)
472

>  <Formula> (418)
C16H14O3

>  <MolWeight> (418)
254.28056

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Ketoprofen (Actron)

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S1645

>  <Synonyms> (418)
Orudis, Oruvail 

>  <Target> (418)
COX

>  <Form> (418)
Free Base

>  <URL> (418)
http://www.selleckchem.com/products/Ketoprofen(Actron).html

>  <CAS Number> (418)
22071-15-4

$$$$
Adenosine.cdx
csChFnd80/07171813082D

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473

>  <Formula> (419)
C10H13N5O4

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267.24132

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Adenosine (Adenocard)

>  <Catalog Number> (419)
S1647

>  <Synonyms> (419)
Adenocard

>  <Target> (419)
Others

>  <Form> (419)
Free Base

>  <URL> (419)
http://www.selleckchem.com/products/Adenosine(Adenocard).html

>  <CAS Number> (419)
58-61-7

$$$$
Artemisinin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (420)
474

>  <Formula> (420)
C15H22O5

>  <MolWeight> (420)
282.33218

>  <Item Name> (420)
Artemisinin

>  <Catalog Number> (420)
S1282

>  <Synonyms> (420)
Qinghaosu

>  <Target> (420)
Antifection

>  <Form> (420)
Free Base

>  <URL> (420)
http://www.selleckchem.com/products/Artemisinin.html

>  <CAS Number> (420)
63968-64-9

$$$$
Artesunate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (421)
475

>  <Formula> (421)
C19H28O8

>  <MolWeight> (421)
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>  <Item Name> (421)
Artesunate

>  <Catalog Number> (421)
S2265

>  <Synonyms> (421)
N/A

>  <Target> (421)
STAT

>  <Form> (421)
Free Base

>  <URL> (421)
http://www.selleckchem.com/products/Artesunate.html

>  <CAS Number> (421)
88495-63-0

$$$$
AT101.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (422)
476

>  <Formula> (422)
C32H34O10

>  <MolWeight> (422)
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AT101

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>  <Target> (422)
Bcl-2

>  <Form> (422)
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>  <URL> (422)
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>  <CAS Number> (422)
866541-93-7

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/07171813082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.6315    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6315    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    5.7555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233    5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    5.7531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233    2.9579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1443    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    2.4870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9075    1.2745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2769    1.5656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8200    2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3137    0.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5041    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  1  1  0  0  0  0
  1  7  2  0  0  0  0
  5  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
 13  9  1  0  0  0  0
  9  2  1  1  0  0  0
 11 14  1  1  0  0  0
 13 15  1  1  0  0  0
 12 16  1  6  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (423)
477

>  <Formula> (423)
C9H13N3O5

>  <MolWeight> (423)
243.21662

>  <Item Name> (423)
Cytarabine

>  <Catalog Number> (423)
S1648

>  <Synonyms> (423)
N/A 

>  <Target> (423)
Others

>  <Form> (423)
Free Base

>  <URL> (423)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

>  <CAS Number> (423)
147-94-4

$$$$
ZOMIG (zolmitriptan).cdx
csChFnd80/07171813082D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2321    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7760    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7760    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2072    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5718    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0029    5.4764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3676    5.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0694    6.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3243    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7749    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  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
 12 14  1  0  0  0  0
  2 15  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 16  1  0  0  0  0
 18 21  2  0  0  0  0
 16 15  1  1  0  0  0
M  END
>  <Mol_ID> (424)
478

>  <Formula> (424)
C16H21N3O2

>  <MolWeight> (424)
287.35684

>  <Item Name> (424)
Zolmitriptan (Zomig)

>  <Catalog Number> (424)
S1649

>  <Synonyms> (424)
Zomig, Zomigon, AscoTopand, Zomigoro 

>  <Target> (424)
5-HT Receptor

>  <Form> (424)
Free Base

>  <URL> (424)
http://www.selleckchem.com/products/Zolmitriptan(Zomig).html

>  <CAS Number> (424)
139264-17-8

$$$$
TYZEKA (telbivudine).cdx
csChFnd80/07171813082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.3376    4.3937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    3.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    1.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    2.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    4.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    5.0179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234    1.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3998    2.3180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9015    1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2996    1.0842    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6619    2.4365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4878    3.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9644    2.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1776    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0486    2.0585    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
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  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
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 10  5  1  1  0  0  0
 13 15  1  1  0  0  0
 12 16  1  6  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (425)
479

>  <Formula> (425)
C10H14N2O5

>  <MolWeight> (425)
242.22856

>  <Item Name> (425)
Telbivudine (Sebivo, Tyzeka)

>  <Catalog Number> (425)
S1651

>  <Synonyms> (425)
N/A

>  <Target> (425)
Reverse Transcriptase

>  <Form> (425)
Free Base

>  <URL> (425)
http://www.selleckchem.com/products/Telbivudine(Sebivo).html

>  <CAS Number> (425)
3424-98-4

$$$$
BENOQUIN (monobenzone).cdx
csChFnd80/07171813082D

 15 16  0  0  0  0  0  0  0  0999 V2000
    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
    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
    4.8413    2.1000    0.0000 O   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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8951    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  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
  5 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <Mol_ID> (426)
480

>  <Formula> (426)
C13H12O2

>  <MolWeight> (426)
200.23318

>  <Item Name> (426)
Monobenzone (Benoquin)

>  <Catalog Number> (426)
S1652

>  <Synonyms> (426)
Benoquin

>  <Target> (426)
Tyrosinase

>  <Form> (426)
Free Base

>  <URL> (426)
http://www.selleckchem.com/products/Monobenzone(Benoquin).html

>  <CAS Number> (426)
103-16-2

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/07171813082D

 22 22  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
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    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
    0.5142    4.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    4.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    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
    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
   14.5619    2.1049    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
   10.9204    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    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  2  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
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  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  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (427)
481

>  <Formula> (427)
C20H28O2

>  <MolWeight> (427)
300.43512

>  <Item Name> (427)
All-trans Retinoic Acid (Tretinoin)

>  <Catalog Number> (427)
S1653

>  <Synonyms> (427)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (427)
Retinoid Receptor

>  <Form> (427)
Free Base

>  <URL> (427)
http://www.selleckchem.com/products/Tretinoin(Aberela).html

>  <CAS Number> (427)
302-79-4

$$$$
AZOLID (phenylbutazone).cdx
csChFnd80/07171813082D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.5403    4.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403    3.0353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6947    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    4.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    5.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    6.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    7.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    6.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3029    1.2758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3029    6.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0898    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7874    2.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1825    2.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8801    1.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  6  1  0  0  0  0
  7 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  7  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  2  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (428)
482

>  <Formula> (428)
C19H20N2O2

>  <MolWeight> (428)
308.3743

>  <Item Name> (428)
Phenylbutazone (Butazolidin, Butatron)

>  <Catalog Number> (428)
S1654

>  <Synonyms> (428)
Bute, Butazolidin, Butatron 

>  <Target> (428)
COX

>  <Form> (428)
Free Base

>  <URL> (428)
http://www.selleckchem.com/products/Phenylbutazone(Butazolidin).html

>  <CAS Number> (428)
50-33-9

$$$$
EZETIMIBE (ezetimibe).cdx
csChFnd80/07171813082D

 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
    2.4207    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4837    1.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7157    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7157    6.9976    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
 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
 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
 14 24  1  1  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
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (429)
483

>  <Formula> (429)
C24H21F2NO3

>  <MolWeight> (429)
409.4252464

>  <Item Name> (429)
Ezetimibe (Zetia)

>  <Catalog Number> (429)
S1655

>  <Synonyms> (429)
Zetia, Ezetrol

>  <Target> (429)
Others

>  <Form> (429)
Free Base

>  <URL> (429)
http://www.selleckchem.com/products/Ezetimibe(Zetia).html

>  <CAS Number> (429)
163222-33-1

$$$$
TIKOSYN (dofetilide).cdx
csChFnd80/07171813082D

 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
    1.9082    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2183    1.6900    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
    9.6742    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3527    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.5609    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6527    2.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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
  8 10  2  0  0  0  0
  8 11  2  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
 14 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  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
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  2  0  0  0  0
M  END
>  <Mol_ID> (430)
484

>  <Formula> (430)
C19H27N3O5S2

>  <MolWeight> (430)
441.56478

>  <Item Name> (430)
Dofetilide (Tikosyn)

>  <Catalog Number> (430)
S1658

>  <Synonyms> (430)
Tikosyn, UK68798

>  <Target> (430)
Potassium Channel

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/Dofetilide(Tikosyn).html

>  <CAS Number> (430)
115256-11-6

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/07171813082D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4165    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.5563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    6.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    7.8215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  3  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
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    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
    7.2578    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
 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  2  0  0  0  0
 15 10  1  0  0  0  0
 11 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
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 22 27  2  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (431)
485

>  <Formula> (431)
C19H21N3O5

>  <MolWeight> (431)
371.38714

>  <Item Name> (431)
Isradipine (Dynacirc)

>  <Catalog Number> (431)
S1662

>  <Synonyms> (431)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin 

>  <Target> (431)
Calcium Channel

>  <Form> (431)
Free Base

>  <URL> (431)
http://www.selleckchem.com/products/Isradipine(Dynacirc).html

>  <CAS Number> (431)
75695-93-1

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/07171813082D

 23 26  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 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  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> (432)
486

>  <Formula> (432)
C18H22O2

>  <MolWeight> (432)
270.36608

>  <Item Name> (432)
Estrone

>  <Catalog Number> (432)
S1665

>  <Synonyms> (432)
Oestrone

>  <Target> (432)
Estrogen/progestogen Receptor

>  <Form> (432)
Free Base

>  <URL> (432)
http://www.selleckchem.com/products/Estrone.html

>  <CAS Number> (432)
53-16-7 

$$$$
ANCOBON (flucytosine).cdx
csChFnd80/07171813082D

  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> (433)
487

>  <Formula> (433)
C4H4FN3O

>  <MolWeight> (433)
129.0924632

>  <Item Name> (433)
Flucytosine (Ancobon)

>  <Catalog Number> (433)
S1666

>  <Synonyms> (433)
5-fluorocytosine, Ancotil

>  <Target> (433)
Antifection

>  <Form> (433)
Free Base

>  <URL> (433)
http://www.selleckchem.com/products/Flucytosine(Ancobon).html

>  <CAS Number> (433)
2022-85-7

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/07171813082D

 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
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 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> (434)
488

>  <Formula> (434)
C24H31ClO7

>  <MolWeight> (434)
466.95174

>  <Item Name> (434)
Loteprednol etabonate

>  <Catalog Number> (434)
S1669

>  <Synonyms> (434)
Alrex, Lotemax

>  <Target> (434)
Glucocorticoid Receptor

>  <Form> (434)
Free Base

>  <URL> (434)
http://www.selleckchem.com/products/Loteprednol-etabonate.html

>  <CAS Number> (434)
82034-46-6

$$$$
AMINOCAPROIC ACID (aminocaproic acid).cdx
csChFnd80/07171813082D

  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> (435)
489

>  <Formula> (435)
C6H13NO2

>  <MolWeight> (435)
131.17292

>  <Item Name> (435)
£¨6-£©¦Å-Aminocaproic acid 

>  <Catalog Number> (435)
S1671

>  <Synonyms> (435)
Amicar, ¦Å-amino caproic acid, ¦Å-Ahx, 6-aminohexanoic acid

>  <Target> (435)
Others

>  <Form> (435)
Free Base

>  <URL> (435)
http://www.selleckchem.com/products/Aminocaproic-acid(Amicar).html

>  <CAS Number> (435)
60-32-2

$$$$
Pregnenolone.cdx
csChFnd80/07171813082D

 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
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  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
 22 24  1  0  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
M  END
>  <Mol_ID> (436)
490

>  <Formula> (436)
C21H32O2

>  <MolWeight> (436)
316.47758

>  <Item Name> (436)
Pregnenolone

>  <Catalog Number> (436)
S1914

>  <Synonyms> (436)
N/A

>  <Target> (436)
Estrogen/progestogen Receptor

>  <Form> (436)
Free Base

>  <URL> (436)
http://www.selleckchem.com/products/pregnenolone.html

>  <CAS Number> (436)
145-13-1

$$$$
AMINOPHYLLINE (aminophylline).cdx
csChFnd80/07171813082D

 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
    2.6805    6.8937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    6.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    9.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   10.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    5.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    0.3349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    2.4322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   -0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    2.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    1.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805   -0.0971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427   -0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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  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  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 16  1  0  0  0  0
 10 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  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  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> (437)
491

>  <Formula> (437)
C16H24N10O4

>  <MolWeight> (437)
420.42636

>  <Item Name> (437)
Aminophylline (Truphylline)

>  <Catalog Number> (437)
S1673

>  <Synonyms> (437)
Somopphyllin, Aminocadol, Phyllocontin 

>  <Target> (437)
PDE

>  <Form> (437)
Ethylenediamine

>  <URL> (437)
http://www.selleckchem.com/products/Aminophylline(Truphylline).html

>  <CAS Number> (437)
317-34-0 

$$$$
Amorolfine Hydrochloride.cdx
csChFnd80/07171813082D

 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
    6.0538    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2620    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.9875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6784    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3115    3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.9875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0991    5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  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
 13 14  1  0  0  0  0
 14 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
 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> (438)
492

>  <Formula> (438)
C21H36ClNO

>  <MolWeight> (438)
353.96964

>  <Item Name> (438)
Amorolfine Hydrochloride

>  <Catalog Number> (438)
S1676

>  <Synonyms> (438)
Amorolfin, Curanail, Loceryl, Locetar, Odenil 

>  <Target> (438)
Antifection

>  <Form> (438)
Hydrochloride

>  <URL> (438)
http://www.selleckchem.com/products/Amorolfine-Hydrochloride.html

>  <CAS Number> (438)
78613-38-4

$$$$
AMPHICOL (chloramphenicol).cdx
csChFnd80/07171813082D

 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
    8.4997    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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  2  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
 11 12  1  0  0  0  0
 12 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
 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> (439)
493

>  <Formula> (439)
C11H12Cl2N2O5

>  <MolWeight> (439)
323.12938

>  <Item Name> (439)
Chloramphenicol (Chloromycetin)

>  <Catalog Number> (439)
S1677

>  <Synonyms> (439)
Alficetyn, Chlornitromycin, Chloromycetin 

>  <Target> (439)
Antifection

>  <Form> (439)
Free Base

>  <URL> (439)
http://www.selleckchem.com/products/Chloramphenicol(Chloromycetin).html

>  <CAS Number> (439)
56-75-7

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/07171813082D

 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
    7.2788    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    2.8000    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (440)
494

>  <Formula> (440)
C10H20N2S4

>  <MolWeight> (440)
296.5392

>  <Item Name> (440)
Disulfiram (Antabuse)

>  <Catalog Number> (440)
S1680

>  <Synonyms> (440)
Antabuse, Antabus

>  <Target> (440)
Dehydrogenase

>  <Form> (440)
Free Base

>  <URL> (440)
http://www.selleckchem.com/products/Disulfiram(Antabuse).html

>  <CAS Number> (440)
97-77-8

$$$$
APRISO (mesalamine).cdx
csChFnd80/07171813082D

 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
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (441)
495

>  <Formula> (441)
C7H7NO3

>  <MolWeight> (441)
153.13538

>  <Item Name> (441)
Mesalamine (Lialda)

>  <Catalog Number> (441)
S1681

>  <Synonyms> (441)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (441)
I¦ÊB/IKK

>  <Form> (441)
Free Base

>  <URL> (441)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

>  <CAS Number> (441)
89-57-6

$$$$
ATROVENT HFA (ipratropium bromide).cdx
csChFnd80/07171813082D

 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
    1.9308    6.3381    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    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
    3.6456    8.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8396   10.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    2.0951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1827    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6034    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8116    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6076    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6076    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827    4.1903    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
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
 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
 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
 19 20  1  0  0  0  0
 18 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 18  1  0  0  0  0
M  END
>  <Mol_ID> (442)
496

>  <Formula> (442)
C20H30BrNO3

>  <MolWeight> (442)
412.3611

>  <Item Name> (442)
Ipratropium bromide

>  <Catalog Number> (442)
S1683

>  <Synonyms> (442)
Atrovent, Apovent, Aerovent

>  <Target> (442)
AChR

>  <Form> (442)
Bromide

>  <URL> (442)
http://www.selleckchem.com/products/Ipratropium-bromide.html

>  <CAS Number> (442)
22254-24-6

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/07171813082D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  1  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
    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
    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> (443)
498

>  <Formula> (443)
C22H28O5

>  <MolWeight> (443)
372.45472

>  <Item Name> (443)
Betapar (Meprednisone)

>  <Catalog Number> (443)
S1689

>  <Synonyms> (443)
Betanisona

>  <Target> (443)
Glucocorticoid Receptor

>  <Form> (443)
Free Base

>  <URL> (443)
http://www.selleckchem.com/products/Betapar(Meprednisone).html

>  <CAS Number> (443)
1247-42-3

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/07171813082D

 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> (444)
499

>  <Formula> (444)
C27H37FO6

>  <MolWeight> (444)
476.5774832

>  <Item Name> (444)
Betamethasone valerate (Betnovate)

>  <Catalog Number> (444)
S1690

>  <Synonyms> (444)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (444)
Glucocorticoid Receptor

>  <Form> (444)
Free Base

>  <URL> (444)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

>  <CAS Number> (444)
2152-44-5 

$$$$
BILTRICIDE (praziquantel).cdx
csChFnd80/07171813082D

 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> (445)
500

>  <Formula> (445)
C19H24N2O2

>  <MolWeight> (445)
312.40606

>  <Item Name> (445)
Praziquantel (Biltricide)

>  <Catalog Number> (445)
S1691

>  <Synonyms> (445)
Droncit

>  <Target> (445)
Antifection

>  <Form> (445)
Free Base

>  <URL> (445)
http://www.selleckchem.com/products/Praziquantel(Biltricide).html

>  <CAS Number> (445)
55268-74-1

$$$$
BUSULFEX (busulfan).cdx
csChFnd80/07171813082D

 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> (446)
501

>  <Formula> (446)
C6H14O6S2

>  <MolWeight> (446)
246.30176

>  <Item Name> (446)
Busulfan (Myleran, Busulfex)

>  <Catalog Number> (446)
S1692

>  <Synonyms> (446)
Myleran, Busulfex

>  <Target> (446)
NULL

>  <Form> (446)
Free Base

>  <URL> (446)
http://www.selleckchem.com/products/Busulfan(Busulfex).html

>  <CAS Number> (446)
55-98-1

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/07171813082D

 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> (447)
503

>  <Formula> (447)
C15H12N2O

>  <MolWeight> (447)
236.26858

>  <Item Name> (447)
Carbamazepine (Carbatrol)

>  <Catalog Number> (447)
S1693

>  <Synonyms> (447)
Equetro, Tegretol, Biston 

>  <Target> (447)
Autophagy,Sodium Channel

>  <Form> (447)
Free Base

>  <URL> (447)
http://www.selleckchem.com/products/Carbamazepine(Carbatrol).html

>  <CAS Number> (447)
298-46-4

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/07171813082D

 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
    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
    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
    9.9798    4.8509    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
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 14 24  1  1  0  0  0
 17 25  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 29  1  6  0  0  0
M  END
>  <Mol_ID> (448)
504

>  <Formula> (448)
C21H30O5

>  <MolWeight> (448)
362.4599

>  <Item Name> (448)
Hydrocortisone (Cortisol)

>  <Catalog Number> (448)
S1696

>  <Synonyms> (448)
Cortisol

>  <Target> (448)
Glucocorticoid Receptor

>  <Form> (448)
Free Base

>  <URL> (448)
http://www.selleckchem.com/products/Hydrocortisone.html

>  <CAS Number> (448)
50-23-7

$$$$
DEMADEX (torsemide).cdx
csChFnd80/07171813082D

 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
    7.2494    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.9951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3411    8.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7411    8.2076    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
  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
 10 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
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 15 23  2  0  0  0  0
 15 24  2  0  0  0  0
M  END
>  <Mol_ID> (449)
505

>  <Formula> (449)
C16H20N4O3S

>  <MolWeight> (449)
348.42

>  <Item Name> (449)
Torsemide (Demadex)

>  <Catalog Number> (449)
S1698

>  <Synonyms> (449)
Demadex

>  <Target> (449)
Others

>  <Form> (449)
Free Base

>  <URL> (449)
http://www.selleckchem.com/products/Torsemide(Demadex).html

>  <CAS Number> (449)
56211-40-6

$$$$
DESOWEN (desonide).cdx
csChFnd80/07171813082D

 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
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186    6.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    5.6950    0.0000 C   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
   10.1248    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
  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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 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
 10 29  1  6  0  0  0
 11 30  1  6  0  0  0
 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> (450)
506

>  <Formula> (450)
C24H32O6

>  <MolWeight> (450)
416.50728

>  <Item Name> (450)
Desonide

>  <Catalog Number> (450)
S1701

>  <Synonyms> (450)
Locapred, Topifug, Tridesilon

>  <Target> (450)
Glucocorticoid Receptor

>  <Form> (450)
Free Base

>  <URL> (450)
http://www.selleckchem.com/products/Desonide.html

>  <CAS Number> (450)
638-94-8

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/07171813082D

 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
  9 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 10  1  0  0  0  0
 16 17  2  0  0  0  0
  4  8  1  1  0  0  0
M  END
>  <Mol_ID> (451)
507

>  <Formula> (451)
C10H12N4O3

>  <MolWeight> (451)
236.22728

>  <Item Name> (451)
Didanosine (Videx)

>  <Catalog Number> (451)
S1702

>  <Synonyms> (451)
Videx EC 

>  <Target> (451)
NULL

>  <Form> (451)
Free Base

>  <URL> (451)
http://www.selleckchem.com/products/Didanosine(Videx).html

>  <CAS Number> (451)
69655-05-6

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/07171813082D

 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
    7.5688   13.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   15.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4639   16.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615   11.9956    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
  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
  2 11  2  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
 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
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (452)
508

>  <Formula> (452)
C16H31NaO4

>  <MolWeight> (452)
310.40471

>  <Item Name> (452)
Divalproex sodium

>  <Catalog Number> (452)
S1703

>  <Synonyms> (452)
Depakote, Epival

>  <Target> (452)
HDAC

>  <Form> (452)
Sodium Salt

>  <URL> (452)
http://www.selleckchem.com/products/Divalproex-sodium.html

>  <CAS Number> (452)
76584-70-8

$$$$
ENDOMETRIN (progesterone).cdx
csChFnd80/07171813082D

 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> (453)
509

>  <Formula> (453)
C21H30O2

>  <MolWeight> (453)
314.4617

>  <Item Name> (453)
Progesterone (Prometrium)

>  <Catalog Number> (453)
S1705

>  <Synonyms> (453)
Prometrium, Agolutin, Corlutin

>  <Target> (453)
Estrogen/progestogen Receptor

>  <Form> (453)
Free Base

>  <URL> (453)
http://www.selleckchem.com/products/Progesterone(Prometrium).html

>  <CAS Number> (453)
57-83-0

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/07171813082D

 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
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1203    2.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.2685    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571    4.4810    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    4.2514    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  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  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  9  1  0  0  0  0
  9  5  1  6  0  0  0
 11 14  1  6  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (454)
510

>  <Formula> (454)
C8H11N3O3S

>  <MolWeight> (454)
229.25624

>  <Item Name> (454)
Lamivudine (Epivir)

>  <Catalog Number> (454)
S1706

>  <Synonyms> (454)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV 

>  <Target> (454)
Reverse Transcriptase

>  <Form> (454)
Free Base

>  <URL> (454)
http://www.selleckchem.com/products/Lamivudine(Epivir).html

>  <CAS Number> (454)
134678-17-4

$$$$
EPLERENONE (eplerenone).cdx
csChFnd80/07171813082D

 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
    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  2  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
    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
    6.0580    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5927    0.0000 C   0  0  2  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
    4.8455    5.5927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0253    0.0000 C   0  0  1  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
    3.6331    4.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9927    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
    7.2662    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    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
    9.6911    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4345    7.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1693    7.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    9.5749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    2.5028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9704    2.9803    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  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
  5 19  1  1  0  0  0
 12 20  1  1  0  0  0
 14 21  1  6  0  0  0
 10 21  1  6  0  0  0
  8 22  1  6  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 17 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 17 29  1  1  0  0  0
 28 30  2  0  0  0  0
  9 31  1  1  0  0  0
 11 32  1  6  0  0  0
M  END
>  <Mol_ID> (455)
511

>  <Formula> (455)
C24H30O6

>  <MolWeight> (455)
414.4914

>  <Item Name> (455)
Eplerenone

>  <Catalog Number> (455)
S1707

>  <Synonyms> (455)
Inspra

>  <Target> (455)
Glucocorticoid Receptor

>  <Form> (455)
Free Base

>  <URL> (455)
http://www.selleckchem.com/products/Eplerenone(Inspra).html

>  <CAS Number> (455)
107724-20-9

$$$$
estradiol.cdx
csChFnd80/07171813082D

 23 26  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 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
    7.2704    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  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
  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  1  1  0  0  0
M  END
>  <Mol_ID> (456)
513

>  <Formula> (456)
C18H24O2

>  <MolWeight> (456)
272.38196

>  <Item Name> (456)
Estradiol

>  <Catalog Number> (456)
S1709

>  <Synonyms> (456)
17¦Â-estradiol, oestradiol, 17¦Â-Oestradiol, ¦Â-Estradiol 

>  <Target> (456)
Estrogen/progestogen Receptor

>  <Form> (456)
Free Base

>  <URL> (456)
http://www.selleckchem.com/products/Estradiol.html

>  <CAS Number> (456)
50-28-2

$$$$
EXJADE (deferasirox).cdx
csChFnd80/07171813082D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.4813    6.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    5.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813    5.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813    6.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813    7.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    7.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2788    4.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9165    2.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0906    1.9982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1786    2.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6769    4.1863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837    8.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    8.9544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813   10.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5262    2.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    2.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    3.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8886    1.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2409    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2308    1.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8685    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5162    3.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1551    4.8557    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
  3  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
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 10 15  1  0  0  0  0
  8 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
 15 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 15  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (457)
514

>  <Formula> (457)
C21H15N3O4

>  <MolWeight> (457)
373.3615

>  <Item Name> (457)
Deferasirox (Exjade)

>  <Catalog Number> (457)
S1712

>  <Synonyms> (457)
Exjade, ICL-670, ICL-670A, CGP-72670 

>  <Target> (457)
P450 (e.g. CYP17)

>  <Form> (457)
Free Base

>  <URL> (457)
http://www.selleckchem.com/products/Deferasirox(Exjade).html

>  <CAS Number> (457)
201530-41-8

$$$$
DCC-2036.cdx
csChFnd80/07171813082D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    4.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    2.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1945    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    2.0728    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    2.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    4.7398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    3.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    2.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017    6.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    7.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    8.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    7.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    6.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914    9.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   10.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   10.2127    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
  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 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  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
 14 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  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
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 26 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
 24 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 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
M  END
>  <Mol_ID> (458)
515

>  <Formula> (458)
C30H28FN7O3

>  <MolWeight> (458)
553.5868232

>  <Item Name> (458)
DCC-2036 (Rebastinib)

>  <Catalog Number> (458)
S2634

>  <Synonyms> (458)
N/A 

>  <Target> (458)
Bcr-Abl

>  <Form> (458)
Free Base

>  <URL> (458)
http://www.selleckchem.com/products/dcc-2036.html

>  <CAS Number> (458)
1020172-07-9

$$$$
FELDENE (piroxicam).cdx
csChFnd80/07171813082D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (459)
516

>  <Formula> (459)
C15H13N3O4S

>  <MolWeight> (459)
331.34642

>  <Item Name> (459)
Piroxicam (Feldene)

>  <Catalog Number> (459)
S1713

>  <Synonyms> (459)
Roxam

>  <Target> (459)
COX 

>  <Form> (459)
Free Base

>  <URL> (459)
http://www.selleckchem.com/products/Piroxicam(Feldene).html

>  <CAS Number> (459)
36322-90-4

$$$$
GLIPIZIDE (glipizide).cdx
csChFnd80/07171813082D

 31 33  0  0  0  0  0  0  0  0999 V2000
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1976    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
    3.6331    4.1976    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
    1.2124    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1444    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1444    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5651    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
  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 11  1  0  0  0  0
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 16 11  1  0  0  0  0
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  4 20  1  0  0  0  0
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 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
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (460)
517

>  <Formula> (460)
C21H27N5O4S

>  <MolWeight> (460)
445.53518

>  <Item Name> (460)
Glipizide (Glucotrol)

>  <Catalog Number> (460)
S1715

>  <Synonyms> (460)
Glucotrol XL 

>  <Target> (460)
Others

>  <Form> (460)
Free Base

>  <URL> (460)
http://www.selleckchem.com/products/Glipizide(Glucotrol).html

>  <CAS Number> (460)
29094-61-9

$$$$
GLYBURIDE (glyburide).cdx
csChFnd80/07171813082D

 33 35  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5578    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9578    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    8.3903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    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  1  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
  9 10  1  0  0  0  0
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 10 12  1  0  0  0  0
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 17 12  1  0  0  0  0
 10 18  2  0  0  0  0
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 24 26  2  0  0  0  0
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 30 24  1  0  0  0  0
 29 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (461)
518

>  <Formula> (461)
C23H28ClN3O5S

>  <MolWeight> (461)
494.00352

>  <Item Name> (461)
Glyburide (Glibenclamide)

>  <Catalog Number> (461)
S1716

>  <Synonyms> (461)
Glibenclamide, Glycron, Glynase, Micronase, Daonil, Semi-Daonil, Euglucon, Delmide 

>  <Target> (461)
Potassium Channel

>  <Form> (461)
Free Base

>  <URL> (461)
http://www.selleckchem.com/products/Glyburide(Diabeta).html

>  <CAS Number> (461)
10238-21-8 

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/07171813082D

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    9.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    7.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    6.9702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    7.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    9.0702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    9.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    9.5028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    7.2376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0353    5.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2436    5.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5137    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0873    5.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8648    3.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4188    7.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6600    3.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8682    2.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8021    3.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6058    1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8971    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2481    0.3577    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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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 17  2  0  0  0  0
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 15 19  1  0  0  0  0
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 20 21  1  0  0  0  0
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 18 27  1  0  0  0  0
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 29 30  1  0  0  0  0
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 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (462)
519

>  <Formula> (462)
C20H32N5O8P

>  <MolWeight> (462)
501.470541

>  <Item Name> (462)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Catalog Number> (462)
S1718

>  <Synonyms> (462)
Bis-POM PMEA, Preveon, Hepsera 

>  <Target> (462)
Reverse Transcriptase

>  <Form> (462)
Free Base

>  <URL> (462)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

>  <CAS Number> (462)
142340-99-6

$$$$
HIVID (zalcitabine).cdx
csChFnd80/07171813082D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4032    3.1207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4032    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    1.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    2.4207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7347    3.5533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    3.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6527    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0527    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7527    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0527    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6527    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9552    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1479    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  4  7  1  1  0  0  0
  6  8  1  0  0  0  0
  7  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  7  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (463)
520

>  <Formula> (463)
C9H13N3O3

>  <MolWeight> (463)
211.21782

>  <Item Name> (463)
Zalcitabine

>  <Catalog Number> (463)
S1719

>  <Synonyms> (463)
Hivid, Dideoxycytidine 

>  <Target> (463)
Reverse Transcriptase

>  <Form> (463)
Free Base

>  <URL> (463)
http://www.selleckchem.com/products/Zalcitabine.html

>  <CAS Number> (463)
7481-89-2

$$$$
IMURAN (azathioprine).cdx
csChFnd80/07171813082D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.2157    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7950    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.5785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    7.2210    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4377    6.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8151    8.5904    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6467    2.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 12 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (464)
521

>  <Formula> (464)
C9H7N7O2S

>  <MolWeight> (464)
277.26258

>  <Item Name> (464)
Azathioprine (Azasan, Imuran)

>  <Catalog Number> (464)
S1721

>  <Synonyms> (464)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (464)
Rho

>  <Form> (464)
Free Base

>  <URL> (464)
http://www.selleckchem.com/products/Azathioprine(Azasan).html

>  <CAS Number> (464)
446-86-6

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/07171813082D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    2.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    4.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.2090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957    4.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039    1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9686    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9021    2.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3997    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039    6.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2748    6.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7074    7.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7706    8.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4012    8.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6704    7.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0720    7.6982    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 17 24  2  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (465)
522

>  <Formula> (465)
C19H16ClNO4

>  <MolWeight> (465)
357.78764

>  <Item Name> (465)
Indomethacin (Indocid, Indocin)

>  <Catalog Number> (465)
S1723

>  <Synonyms> (465)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (465)
COX

>  <Form> (465)
Free Base

>  <URL> (465)
http://www.selleckchem.com/products/Indomethacin(Indocid).html

>  <CAS Number> (465)
53-86-1

$$$$
Levonorgestrel.cdx
csChFnd80/07171813082D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    6.0580    3.4951    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
    8.6019    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4162    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.4263    6.5774    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
  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
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 10 23  1  6  0  0  0
 11 24  1  6  0  0  0
 17 25  1  6  0  0  0
 25 26  3  0  0  0  0
 21 27  1  0  0  0  0
M  END
>  <Mol_ID> (466)
524

>  <Formula> (466)
C21H28O2

>  <MolWeight> (466)
312.44582

>  <Item Name> (466)
Levonorgestrel (Levonelle)

>  <Catalog Number> (466)
S1727

>  <Synonyms> (466)
Levonelle, D-Norgestrel, Levonova

>  <Target> (466)
Estrogen/progestogen Receptor

>  <Form> (466)
Free Base

>  <URL> (466)
http://www.selleckchem.com/products/Levonorgestrel(Levonelle).html

>  <CAS Number> (466)
797-63-7

$$$$
LOPID (gemfibrozil).cdx
csChFnd80/07171813082D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 C   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
    2.4333    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.6097    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
    3.6458    4.2073    0.0000 O   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
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5073    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
    9.7079    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1979    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (467)
525

>  <Formula> (467)
C15H22O3

>  <MolWeight> (467)
250.33338

>  <Item Name> (467)
Gemfibrozil (Lopid)

>  <Catalog Number> (467)
S1729

>  <Synonyms> (467)
Gemcor, Lopid, Jezil, Gen-Fibro

>  <Target> (467)
PPAR

>  <Form> (467)
Free Base

>  <URL> (467)
http://www.selleckchem.com/products/Gemfibrozil(Lopid).html

>  <CAS Number> (467)
25812-30-0

$$$$
LOZOL (indapamide).cdx
csChFnd80/07171813082D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.6425    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6425    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2756    5.1210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2756    2.3259    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4838    3.0234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5756    1.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9756    1.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2260    3.0234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  2  0  0  0  0
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  2 12  1  0  0  0  0
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 13 15  1  0  0  0  0
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 17 18  1  0  0  0  0
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 16 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
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (468)
526

>  <Formula> (468)
C16H16ClN3O3S

>  <MolWeight> (468)
365.83454

>  <Item Name> (468)
Indapamide (Lozol)

>  <Catalog Number> (468)
S1730

>  <Synonyms> (468)
Arifon, Fludex, Noranat, Veroxil, Tertensif

>  <Target> (468)
Others

>  <Form> (468)
Free Base

>  <URL> (468)
http://www.selleckchem.com/products/Indapamide(Lozol).html

>  <CAS Number> (468)
26807-65-8

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/07171813082D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  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
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
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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> (469)
527

>  <Formula> (469)
C22H30O5

>  <MolWeight> (469)
374.4706

>  <Item Name> (469)
Methylprednisolone

>  <Catalog Number> (469)
S1733

>  <Synonyms> (469)
Medrol, Solu-Medrol, Medrone

>  <Target> (469)
Glucocorticoid Receptor

>  <Form> (469)
Free Base

>  <URL> (469)
http://www.selleckchem.com/products/Methylprednisolone.html

>  <CAS Number> (469)
83-43-2

$$$$
MELOXICAM (meloxicam).cdx
csChFnd80/07171813082D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2279    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2279    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    5.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0197    5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    5.4023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    5.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    3.4406    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  2  0  0  0  0
  3 14  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (470)
528

>  <Formula> (470)
C14H13N3O4S2

>  <MolWeight> (470)
351.40072

>  <Item Name> (470)
Meloxicam (Mobic)

>  <Catalog Number> (470)
S1734

>  <Synonyms> (470)
Metacam, Parocin 

>  <Target> (470)
COX

>  <Form> (470)
Free Base

>  <URL> (470)
http://www.selleckchem.com/products/Meloxicam(Mobic).html

>  <CAS Number> (470)
71125-38-7

$$$$
Mesna.cdx
csChFnd80/07171813082D

  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> (471)
529

>  <Formula> (471)
C2H5NaO3S2

>  <MolWeight> (471)
164.17907

>  <Item Name> (471)
Mesna (Uromitexan, Mesnex)

>  <Catalog Number> (471)
S1735

>  <Synonyms> (471)
Uromitexan, Mesnex

>  <Target> (471)
Others

>  <Form> (471)
Sodium Salt

>  <URL> (471)
http://www.selleckchem.com/products/Mesna(Uromitexan).html

>  <CAS Number> (471)
19767-45-4

$$$$
METHOCARBAMOL (methocarbamol).cdx
csChFnd80/07171813082D

 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
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    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
 11 13  1  0  0  0  0
 13 14  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> (472)
530

>  <Formula> (472)
C11H15NO5

>  <MolWeight> (472)
241.2405

>  <Item Name> (472)
Methocarbamol (Robaxin)

>  <Catalog Number> (472)
S1736

>  <Synonyms> (472)
Robaxin

>  <Target> (472)
Carbonic Anhydrase

>  <Form> (472)
Free Base

>  <URL> (472)
http://www.selleckchem.com/products/Methocarbamol(Robaxin).html

>  <CAS Number> (472)
532-03-6

$$$$
MICARDIS (telmisartan).cdx
csChFnd80/07171813082D

 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
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    3.6289    9.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.2904    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
    0.0000   10.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    7.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    4.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    3.3025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1995    1.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5975    1.8769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0113    4.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7555    7.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
>  <Mol_ID> (473)
531

>  <Formula> (473)
C33H30N4O2

>  <MolWeight> (473)
514.6169

>  <Item Name> (473)
Telmisartan (Micardis)

>  <Catalog Number> (473)
S1738

>  <Synonyms> (473)
Targit

>  <Target> (473)
RAAS

>  <Form> (473)
Free Base

>  <URL> (473)
http://www.selleckchem.com/products/Telmisartan(Micardis).html

>  <CAS Number> (473)
144701-48-4

$$$$
MINTEZOL (thiabendazole).cdx
csChFnd80/07171813082D

 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
  4  5  2  0  0  0  0
  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
  9 10  1  0  0  0  0
 10  6  2  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
M  END
>  <Mol_ID> (474)
532

>  <Formula> (474)
C10H7N3S

>  <MolWeight> (474)
201.24768

>  <Item Name> (474)
Thiabendazole

>  <Catalog Number> (474)
S1739

>  <Synonyms> (474)
Mintezol, Equizole

>  <Target> (474)
P450 (e.g. CYP17)

>  <Form> (474)
Free Base

>  <URL> (474)
http://www.selleckchem.com/products/Thiabendazole.html

>  <CAS Number> (474)
148-79-8

$$$$
MUCINEX (guaifenesin).cdx
csChFnd80/07171813082D

 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
 10 11  1  0  0  0  0
  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> (475)
533

>  <Formula> (475)
C10H14O4

>  <MolWeight> (475)
198.21576

>  <Item Name> (475)
Guaifenesin (Guaiphenesin)

>  <Catalog Number> (475)
S1740

>  <Synonyms> (475)
Guaiphenesin, Glyceryl guaiacolate

>  <Target> (475)
Others

>  <Form> (475)
Free Base

>  <URL> (475)
http://www.selleckchem.com/products/Guaifenesin(Guaiphenesin).html

>  <CAS Number> (475)
93-14-1

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/07171813082D

 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
    6.8476    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    6.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    6.9363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    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
  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  2  0  0  0  0
  8  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  7 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  8  1  0  0  0  0
 12 17  1  0  0  0  0
  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> (476)
534

>  <Formula> (476)
C15H14N4O

>  <MolWeight> (476)
266.29786

>  <Item Name> (476)
Nevirapine (Viramune)

>  <Catalog Number> (476)
S1742

>  <Synonyms> (476)
Viramune, BI-RG 587

>  <Target> (476)
Reverse Transcriptase

>  <Form> (476)
Free Base

>  <URL> (476)
http://www.selleckchem.com/products/Nevirapine(Viramune).html

>  <CAS Number> (476)
129618-40-2

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/07171813082D

 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
    6.0664    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.3976    0.0000 C   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
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4955    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    6.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    5.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3098    0.0000 C   0  0  0  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
    3.6373    4.2098    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
  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  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
 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
 18 24  2  0  0  0  0
  2 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  1  0  0  0  0
 25 30  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (477)
535

>  <Formula> (477)
C21H26N2O7

>  <MolWeight> (477)
418.44034

>  <Item Name> (477)
Nimodipine (Nimotop)

>  <Catalog Number> (477)
S1747

>  <Synonyms> (477)
Nimotop

>  <Target> (477)
Autophagy,Calcium Channel

>  <Form> (477)
Free Base

>  <URL> (477)
http://www.selleckchem.com/products/Nimodipine(Nimotop).html

>  <CAS Number> (477)
66085-59-4

$$$$
Pitavastatin calcium.cdx
csChFnd80/07171813082D

 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
    2.6173   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    9.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    8.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151    7.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150    8.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   13.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   16.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   17.8076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   12.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150   12.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   11.1190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3939   10.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725   10.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5724   11.9483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0935   13.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9934   14.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5146   15.6518    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.3721   14.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9511   11.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   -2.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   -2.0719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   -2.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151   -3.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150   -2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    2.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    2.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    4.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    4.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173    4.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173    2.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    6.3279    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    1.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150    0.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   -0.3608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3939   -1.4332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5724    0.4686    0.0000 C   0  0  2  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> (478)
537

>  <Formula> (478)
C50H46CaF2N2O8

>  <MolWeight> (478)
880.9836464

>  <Item Name> (478)
Pitavastatin calcium (Livalo)

>  <Catalog Number> (478)
S1759

>  <Synonyms> (478)
Livalo

>  <Target> (478)
HMG-CoA Reductase

>  <Form> (478)
Calcium salt

>  <URL> (478)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

>  <CAS Number> (478)
147526-32-7

$$$$
PYRAZINAMIDE (pyrazinamide).cdx
csChFnd80/07171813082D

  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 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    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    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
  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> (479)
538

>  <Formula> (479)
C5H5N3O

>  <MolWeight> (479)
123.1127

>  <Item Name> (479)
Pyrazinamide (Pyrazinoic acid amide)

>  <Catalog Number> (479)
S1762

>  <Synonyms> (479)
Pezetamid, Pyrafat, Zinamide, Tebrazid, Pyrafat 

>  <Target> (479)
Antifection

>  <Form> (479)
Free Base

>  <URL> (479)
http://www.selleckchem.com/products/Pyrazinamide(Pyrazinoic-acid-amide).html

>  <CAS Number> (479)
98-96-4

$$$$
QUETIAPINE FUMARATE (quetiapine fumarate).cdx
csChFnd80/07171813082D

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   11.1020    5.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3102    4.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5184    5.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7266    4.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9349    5.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3577   13.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5693   12.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0246    3.3900    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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 49 50  2  0  0  0  0
 50 44  1  0  0  0  0
 45 51  1  0  0  0  0
 51 52  1  0  0  0  0
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 55 56  1  0  0  0  0
 56 51  1  0  0  0  0
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 58 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
M  END
>  <Mol_ID> (480)
539

>  <Formula> (480)
C46H54N6O8S2

>  <MolWeight> (480)
883.08636

>  <Item Name> (480)
Quetiapine fumarate (Seroquel)

>  <Catalog Number> (480)
S1763

>  <Synonyms> (480)
ICI-204636, ZD 5077, ZM 204636, Seroquel XR 

>  <Target> (480)
Dopamine Receptor

>  <Form> (480)
Fumarate

>  <URL> (480)
http://www.selleckchem.com/products/Quetiapine-fumarate(Seroquel).html

>  <CAS Number> (480)
111974-72-2

$$$$
SOLATENE (beta carotene).cdx
csChFnd80/07171813082D

 40 41  0  0  0  0  0  0  0  0999 V2000
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    1.2167    0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8382    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1358    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 12 34  1  0  0  0  0
 16 35  1  0  0  0  0
 21 36  1  0  0  0  0
 25 37  1  0  0  0  0
 29 38  1  0  0  0  0
 33 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (481)
540

>  <Formula> (481)
C40H56

>  <MolWeight> (481)
536.87264

>  <Item Name> (481)
Beta Carotene

>  <Catalog Number> (481)
S1767

>  <Synonyms> (481)
¦Â,¦Â-Carotene, Provitamin A, Solatene, ¦Â-Carotene 

>  <Target> (481)
Others

>  <Form> (481)
Free Base

>  <URL> (481)
http://www.selleckchem.com/products/Beta-Carotene.html

>  <CAS Number> (481)
7235-40-7

$$$$
SPECTRACEF (cefditoren pivoxil).cdx
csChFnd80/07171813082D

 42 45  0  0  0  0  0  0  0  0999 V2000
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   13.2560    5.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0197    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2279    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0875    4.4786    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    3.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    2.2257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1203    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  2  0  0  0  0
  6  1  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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 12  2  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15  8  2  0  0  0  0
 11 16  2  0  0  0  0
 15 17  1  0  0  0  0
  2 18  1  1  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 12 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
>  <Mol_ID> (482)
541

>  <Formula> (482)
C25H28N6O7S3

>  <MolWeight> (482)
620.72082

>  <Item Name> (482)
Cefditoren pivoxil

>  <Catalog Number> (482)
S1768

>  <Synonyms> (482)
Spectracef , Meiact

>  <Target> (482)
5-alpha Reductase 

>  <Form> (482)
Free Base

>  <URL> (482)
http://www.selleckchem.com/products/Cefditoren-pivoxil.html

>  <CAS Number> (482)
117467-28-4 

$$$$
SULFADIAZINE (sulfadiazine).cdx
csChFnd80/07171813082D

 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
  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  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (483)
542

>  <Formula> (483)
C10H10N4O2S

>  <MolWeight> (483)
250.277

>  <Item Name> (483)
Sulfadiazine

>  <Catalog Number> (483)
S1770

>  <Synonyms> (483)
Adiazin, Adiazine, Debenal, Liquadiazine

>  <Target> (483)
Antifection

>  <Form> (483)
Free Base

>  <URL> (483)
http://www.selleckchem.com/products/Sulfadiazine.html

>  <CAS Number> (483)
68-35-9

$$$$
TARACTAN (chlorprothixene).cdx
csChFnd80/07171813082D

 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
    1.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    5.5903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    3.4951    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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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 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
 12 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (484)
543

>  <Formula> (484)
C18H18ClNS

>  <MolWeight> (484)
315.86022

>  <Item Name> (484)
Chlorprothixene

>  <Catalog Number> (484)
S1771

>  <Synonyms> (484)
Cloxan, Taractan, Truxal

>  <Target> (484)
Dopamine Receptor

>  <Form> (484)
Free Base

>  <URL> (484)
http://www.selleckchem.com/products/Chlorprothixene.html

>  <CAS Number> (484)
113-59-7

$$$$
TERRAMYCIN (oxytetracycline).cdx
csChFnd80/07171813082D

 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
    6.0538    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6911    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1159    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4686    1.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1163    0.7404    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  6  1  0  0  0  0
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 10  5  1  0  0  0  0
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 12 13  2  0  0  0  0
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 14  9  2  0  0  0  0
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 15 17  2  0  0  0  0
  2 18  1  0  0  0  0
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 14 24  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 13  1  0  0  0  0
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 11 30  1  1  0  0  0
  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> (485)
544

>  <Formula> (485)
C22H24N2O9

>  <MolWeight> (485)
460.43396

>  <Item Name> (485)
Oxytetracycline (Terramycin)

>  <Catalog Number> (485)
S1773

>  <Synonyms> (485)
Terramycin, Liquamycin

>  <Target> (485)
NULL

>  <Form> (485)
Free Base

>  <URL> (485)
http://www.selleckchem.com/products/Oxytetracycline(Terramycin).html

>  <CAS Number> (485)
79-57-2

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/07171813082D

 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> (486)
545

>  <Formula> (486)
C5H5N5S

>  <MolWeight> (486)
167.1917

>  <Item Name> (486)
Thioguanine

>  <Catalog Number> (486)
S1774

>  <Synonyms> (486)
6-Thioguanine

>  <Target> (486)
Others

>  <Form> (486)
Free Base

>  <URL> (486)
http://www.selleckchem.com/products/Thioguanine.html

>  <CAS Number> (486)
154-42-7

$$$$
Thiotepa.cdx
csChFnd80/07171813082D

 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
  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
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (487)
546

>  <Formula> (487)
C6H12N3PS

>  <MolWeight> (487)
189.218341

>  <Item Name> (487)
Thiotepa (Thioplex)

>  <Catalog Number> (487)
S1775

>  <Synonyms> (487)
Tiofosyl, Tiofosfamid, Triethylenethiophosphoramide 

>  <Target> (487)
Others

>  <Form> (487)
Free Base

>  <URL> (487)
http://www.selleckchem.com/products/Thiotepa(Thioplex).html

>  <CAS Number> (487)
52-24-4

$$$$
TRECATOR (ethionamide).cdx
csChFnd80/07171813082D

 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
    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
    0.0042    4.8927    0.0000 S   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
    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
  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
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (488)
547

>  <Formula> (488)
C8H10N2S

>  <MolWeight> (488)
166.2434

>  <Item Name> (488)
Ethionamide

>  <Catalog Number> (488)
S1777

>  <Synonyms> (488)
2-ethylthioisonicotinamide, Trecator SC, Amidazine 

>  <Target> (488)
Antifection

>  <Form> (488)
Free Base

>  <URL> (488)
http://www.selleckchem.com/products/Ethionamide.html

>  <CAS Number> (488)
536-33-4

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/07171813082D

 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
    2.4207    8.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.7782    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.8709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.1758    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.2831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2880    2.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.1287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1207    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5533    2.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9006    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3282    0.1458    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  2  0  0  0  0
  6  8  2  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
  9 12  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 13  1  0  0  0  0
 15 18  1  1  0  0  0
 16 19  1  6  0  0  0
 19 20  1  0  0  0  0
 13  3  1  6  0  0  0
M  END
>  <Mol_ID> (489)
548

>  <Formula> (489)
C10H11F3N2O5

>  <MolWeight> (489)
296.1999496

>  <Item Name> (489)
Trifluridine (Viroptic)

>  <Catalog Number> (489)
S1778

>  <Synonyms> (489)
Viroptic, Trifluorothymidine

>  <Target> (489)
NULL

>  <Form> (489)
Free Base

>  <URL> (489)
http://www.selleckchem.com/products/Trifluridine(Viroptic).html

>  <CAS Number> (489)
70-00-8

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/07171813082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    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
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (490)
549

>  <Formula> (490)
C8H12N4O5

>  <MolWeight> (490)
244.20468

>  <Item Name> (490)
Azacitidine (Vidaza)

>  <Catalog Number> (490)
S1782

>  <Synonyms> (490)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (490)
DNA/RNA Synthesis

>  <Form> (490)
Free Base

>  <URL> (490)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

>  <CAS Number> (490)
320-67-2

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/07171813082D

 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 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9278    0.0000 N   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
    4.1875    5.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5190    5.6872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5190    7.0872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1875    7.5199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3646    6.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    7.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    9.1368    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
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 11  9  1  6  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 11  1  0  0  0  0
 14 16  1  6  0  0  0
 12 17  1  6  0  0  0
 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (491)
550

>  <Formula> (491)
C10H13N5O4

>  <MolWeight> (491)
267.24132

>  <Item Name> (491)
Vidarabine (Vira-A)

>  <Catalog Number> (491)
S1784

>  <Synonyms> (491)
Vira-A

>  <Target> (491)
5-alpha Reductase 

>  <Form> (491)
Free Base

>  <URL> (491)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

>  <CAS Number> (491)
5536-17-4

$$$$
VUMON (teniposide).cdx
csChFnd80/07171813082D

 47 54  0  0  0  0  0  0  0  0999 V2000
   10.6902    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4777    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6902    4.1903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9026    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1108    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1108    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5357    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5357    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7439    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7439    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7439    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4373    3.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3991    2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3326    1.7841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6801    3.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8488    6.9903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6364    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6364    4.8903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8488    4.1903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0613    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.1903    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
  5  6  2  0  0  0  0
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  2  7  1  0  0  0  0
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 13 20  1  0  0  0  0
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  8 22  1  6  0  0  0
 22 23  1  0  0  0  0
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 33 28  1  0  0  0  0
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 29 35  1  1  0  0  0
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 31 36  1  1  0  0  0
M  END
>  <Mol_ID> (492)
551

>  <Formula> (492)
C32H32O13S

>  <MolWeight> (492)
656.65368

>  <Item Name> (492)
Teniposide (Vumon)

>  <Catalog Number> (492)
S1787

>  <Synonyms> (492)
Vumon, VM-26, Vehem, NSC 122819 

>  <Target> (492)
Topoisomerase

>  <Form> (492)
Free Base

>  <URL> (492)
http://www.selleckchem.com/products/Teniposide(Vumon).html

>  <CAS Number> (492)
29767-20-2

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (493)
552

>  <Formula> (493)
C43H51N3O11

>  <MolWeight> (493)
785.87854

>  <Item Name> (493)
Rifaximin (Xifaxan)

>  <Catalog Number> (493)
S1790

>  <Synonyms> (493)
Rifacol, Fatroximin

>  <Target> (493)
DNA/RNA Synthesis

>  <Form> (493)
Free Base

>  <URL> (493)
http://www.selleckchem.com/products/Rifaximin(Xifaxan).html

>  <CAS Number> (493)
80621-81-4

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/07171813082D

 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
    4.8329    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8927    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1165    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2536    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2536    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    9.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
  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  2  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
  2 11  1  6  0  0  0
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  9 20  1  1  0  0  0
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M  END
>  <Mol_ID> (494)
553

>  <Formula> (494)
C25H38O5

>  <MolWeight> (494)
418.56622

>  <Item Name> (494)
Simvastatin (Zocor)

>  <Catalog Number> (494)
S1792

>  <Synonyms> (494)
Simlup, Simcard, Simvacor, Simvoget, Zorced 

>  <Target> (494)
HMG-CoA Reductase

>  <Form> (494)
Free Base

>  <URL> (494)
http://www.selleckchem.com/products/Simvastatin(Zocor).html

>  <CAS Number> (494)
79902-63-9

$$$$
ALTACE (ramipril).cdx
csChFnd80/07171813082D

 30 32  0  0  0  0  0  0  0  0999 V2000
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    1.2082    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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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   10.0532    2.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3321    3.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2391    8.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2023    9.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5659    8.6555    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 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 16 15  1  6  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
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 19  1  6  0  0  0
 22 27  1  6  0  0  0
 24 28  1  6  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (495)
554

>  <Formula> (495)
C23H32N2O5

>  <MolWeight> (495)
416.51058

>  <Item Name> (495)
Ramipril (Altace)

>  <Catalog Number> (495)
S1793

>  <Synonyms> (495)
Tritace

>  <Target> (495)
RAAS

>  <Form> (495)
Free Base

>  <URL> (495)
http://www.selleckchem.com/products/Ramipril(Altace).html

>  <CAS Number> (495)
87333-19-5

$$$$
FENOFIBRATE (MICRONIZED) (fenofibrate).cdx
csChFnd80/07171813082D

 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
    8.4744    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4927    0.0000 C   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
    9.6827    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.0927    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
   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
   14.5156    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 13 16  1  0  0  0  0
 16 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
 18 21  1  0  0  0  0
 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> (496)
555

>  <Formula> (496)
C20H21ClO4

>  <MolWeight> (496)
360.83134

>  <Item Name> (496)
Fenofibrate (Tricor, Trilipix)

>  <Catalog Number> (496)
S1794

>  <Synonyms> (496)
Antara, Fenoglide, Fibricor, Lipofen, Lofibra, Triglide 

>  <Target> (496)
NULL

>  <Form> (496)
Free Base

>  <URL> (496)
http://www.selleckchem.com/products/Fenofibrate(Tricor).html

>  <CAS Number> (496)
49562-28-9

$$$$
RANITIDINE (ranitidine).cdx
csChFnd80/07171813082D

 22 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9912    2.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3893    2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8910    3.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8030    4.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1035    4.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3117    3.5905    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5199    4.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9364    4.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1446    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1446    2.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3570    1.4905    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.3570    0.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5695    2.1905    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.5695    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3570    4.2905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1201    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
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  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  3  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
 16 17  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (497)
557

>  <Formula> (497)
C13H23ClN4O3S

>  <MolWeight> (497)
350.86472

>  <Item Name> (497)
Ranitidine Hydrochloride

>  <Catalog Number> (497)
S1801

>  <Synonyms> (497)
AH19065

>  <Target> (497)
Histamine Receptor antagonist

>  <Form> (497)
Hydrochloride

>  <URL> (497)
http://www.selleckchem.com/products/Ranitidine-hydrochloride(Zantac).html

>  <CAS Number> (497)
66357-59-3

$$$$
Acipimox.cdx
csChFnd80/07171813082D

 11 11  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 N   0  3  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 C   0  0  0  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
    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 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
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (498)
558

>  <Formula> (498)
C6H6N2O3

>  <MolWeight> (498)
154.12344

>  <Item Name> (498)
Acipimox 

>  <Catalog Number> (498)
S1806

>  <Synonyms> (498)
K-9321, Olbemox, Olbetam

>  <Target> (498)
Others

>  <Form> (498)
Free Base

>  <URL> (498)
http://www.selleckchem.com/products/Acipimox.html

>  <CAS Number> (498)
51037-30-0

$$$$
Acyclovir.cdx
csChFnd80/07171813082D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611    5.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917    4.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569    1.6179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0631    2.3673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6305    3.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5640    4.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5575    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
  4  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  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  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  1  0  0  0  0
 14  8  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (499)
559

>  <Formula> (499)
C8H11N5O3

>  <MolWeight> (499)
225.20464

>  <Item Name> (499)
Acyclovir (Aciclovir)

>  <Catalog Number> (499)
S1807

>  <Synonyms> (499)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (499)
Antifection

>  <Form> (499)
Free Base

>  <URL> (499)
http://www.selleckchem.com/products/Acyclovir(Aciclovir).html

>  <CAS Number> (499)
59277-89-3 

$$$$
ADALAT (nifedipine).cdx
csChFnd80/07171813082D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9951    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
    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
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    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    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1927    0.0000 O   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
    7.2578    0.0024    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
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 O   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
    7.4019    5.2575    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.3884    4.2710    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7629    6.6051    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
  3  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  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (500)
560

>  <Formula> (500)
C17H18N2O6

>  <MolWeight> (500)
346.33462

>  <Item Name> (500)
Nifedipine (Adalat)

>  <Catalog Number> (500)
S1808

>  <Synonyms> (500)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (500)
Calcium Channel

>  <Form> (500)
Free Base

>  <URL> (500)
http://www.selleckchem.com/products/Nifedipine(Adalat).html

>  <CAS Number> (500)
21829-25-4

$$$$
Baricitinib.cdx
csChFnd80/07171813082D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    1.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    2.3899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    2.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (501)
562

>  <Formula> (501)
C16H17N7O2S

>  <MolWeight> (501)
371.41688

>  <Item Name> (501)
Baricitinib (LY3009104)

>  <Catalog Number> (501)
S2851

>  <Synonyms> (501)
INCB 28050

>  <Target> (501)
JAK

>  <Form> (501)
Free Base

>  <URL> (501)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (501)
1187594-09-7

$$$$
CTEP.cdx
csChFnd80/07171813082D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (502)
563

>  <Formula> (502)
C19H13ClF3N3O

>  <MolWeight> (502)
391.7742296

>  <Item Name> (502)
CTEP (RO4956371)

>  <Catalog Number> (502)
S2861

>  <Synonyms> (502)
N/A

>  <Target> (502)
GluR

>  <Form> (502)
Free Base

>  <URL> (502)
http://www.selleckchem.com/products/ctep.html

>  <CAS Number> (502)
871362-31-1

$$$$
Deferiprone.cdx
csChFnd80/07171813082D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (503)
565

>  <Formula> (503)
C7H9NO2

>  <MolWeight> (503)
139.15186

>  <Item Name> (503)
Deferiprone

>  <Catalog Number> (503)
S4067

>  <Synonyms> (503)
N/A

>  <Target> (503)
Others

>  <Form> (503)
Free Base

>  <URL> (503)
http://www.selleckchem.com/products/deferiprone.html

>  <CAS Number> (503)
30652-11-0

$$$$
CAPITROL (chloroxine).cdx
csChFnd80/07171813082D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (504)
566

>  <Formula> (504)
C9H5Cl2NO

>  <MolWeight> (504)
214.0481

>  <Item Name> (504)
Chloroxine

>  <Catalog Number> (504)
S1839

>  <Synonyms> (504)
Capitrol

>  <Target> (504)
Antifection

>  <Form> (504)
Free Base

>  <URL> (504)
http://www.selleckchem.com/products/Chloroxine.html

>  <CAS Number> (504)
773-76-2

$$$$
CEENU (lomustine).cdx
csChFnd80/07171813082D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (505)
567

>  <Formula> (505)
C9H16ClN3O2

>  <MolWeight> (505)
233.69524

>  <Item Name> (505)
Lomustine (CeeNU)

>  <Catalog Number> (505)
S1840

>  <Synonyms> (505)
CCNU 

>  <Target> (505)
DNA/RNA Synthesis

>  <Form> (505)
Free Base

>  <URL> (505)
http://www.selleckchem.com/products/Lomustine(CeeNU).html

>  <CAS Number> (505)
13010-47-4

$$$$
CHENIX (chenodiol).cdx
csChFnd80/07171813082D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (506)
568

>  <Formula> (506)
C24H40O4

>  <MolWeight> (506)
392.572

>  <Item Name> (506)
Chenodeoxycholic acid

>  <Catalog Number> (506)
S1843

>  <Synonyms> (506)
Chenodiol, Chenodesoxycholic acid, Chenocholic acid 

>  <Target> (506)
NULL

>  <Form> (506)
Free Base

>  <URL> (506)
http://www.selleckchem.com/products/Chenodeoxycholic-acid.html

>  <CAS Number> (506)
474-25-9 

$$$$
cimetidine.cdx
csChFnd80/07171813082D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.8200    2.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2200    2.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527    3.8909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5200    4.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3874    3.8909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4401    1.4307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4300    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8300    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5300    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9300    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6276    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6276    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0276    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0276    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4276    2.4165    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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  5  1  1  0  0  0  0
  1  6  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  3  0  0  0  0
M  END
>  <Mol_ID> (507)
569

>  <Formula> (507)
C10H16N6S

>  <MolWeight> (507)
252.33924

>  <Item Name> (507)
Cimetidine (Tagamet)

>  <Catalog Number> (507)
S1845

>  <Synonyms> (507)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (507)
NULL

>  <Form> (507)
Free Base

>  <URL> (507)
http://www.selleckchem.com/products/Cimetidine(Tagamet).html

>  <CAS Number> (507)
51481-61-9

$$$$
clemastine fumarate.cdx
csChFnd80/07171813082D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2569    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    6.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    6.4325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8404    4.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9368    4.2067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7754    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001    7.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    8.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    5.3922    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
  2  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
 16 12  1  0  0  0  0
  8 17  1  1  0  0  0
  8 18  1  6  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
 13 24  1  0  0  0  0
 25 26  1  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  1  0  0  0  0
 26 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (508)
570

>  <Formula> (508)
C25H30ClNO5

>  <MolWeight> (508)
459.9624

>  <Item Name> (508)
Clemastine Fumarate

>  <Catalog Number> (508)
S1847

>  <Synonyms> (508)
Tavist, Agasten 

>  <Target> (508)
Histamine Receptor

>  <Form> (508)
Fumarate

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

>  <CAS Number> (508)
14976-57-9

$$$$
Daidzein.cdx
csChFnd80/07171813082D

 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
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  2 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (509)
571

>  <Formula> (509)
C15H10O4

>  <MolWeight> (509)
254.2375

>  <Item Name> (509)
Daidzein

>  <Catalog Number> (509)
S1849

>  <Synonyms> (509)
N/A

>  <Target> (509)
Others

>  <Form> (509)
Free Base

>  <URL> (509)
http://www.selleckchem.com/products/Daidzein.html

>  <CAS Number> (509)
486-66-8 

$$$$
Methylthiouracil.cdx
csChFnd80/07171813082D

  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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  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> (510)
574

>  <Formula> (510)
C5H6N2OS

>  <MolWeight> (510)
142.17894

>  <Item Name> (510)
Methylthiouracil

>  <Catalog Number> (510)
S3138

>  <Synonyms> (510)
N/A

>  <Target> (510)
Others

>  <Form> (510)
Free Base

>  <URL> (510)
http://www.selleckchem.com/products/methylthiouracil.html

>  <CAS Number> (510)
56-04-2

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/07171813082D

 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> (511)
575

>  <Formula> (511)
C6H7N3O

>  <MolWeight> (511)
137.13928

>  <Item Name> (511)
Isoniazid (Tubizid)

>  <Catalog Number> (511)
S1937

>  <Synonyms> (511)
Tubizid, Laniazid, Nydrazid, Isonicotinylhydrazine

>  <Target> (511)
Angiogenesis

>  <Form> (511)
Free Base

>  <URL> (511)
http://www.selleckchem.com/products/Isoniazid(Tubizid).html

>  <CAS Number> (511)
54-85-3

$$$$
Levamisole Hydrochloride.cdx
csChFnd80/07171813082D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.3322    3.9229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1551    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4866    3.2229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4866    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1551    5.0555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8181    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6410    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8181    5.0555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    3.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.7046    1.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    4.9129    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
  2  3  1  0  0  0  0
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  5  1  1  0  0  0  0
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  8  4  1  0  0  0  0
  1  9  1  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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 14  9  1  0  0  0  0
  1 15  1  1  0  0  0
M  END
>  <Mol_ID> (512)
576

>  <Formula> (512)
C11H13ClN2S

>  <MolWeight> (512)
240.75232

>  <Item Name> (512)
(-)-Tetramisole 

>  <Catalog Number> (512)
S1939

>  <Synonyms> (512)
Ergamisol

>  <Target> (512)
Immunology & Inflammation related

>  <Form> (512)
Hydrochloride

>  <URL> (512)
http://www.selleckchem.com/products/Levamisole-Hydrochloride(Ergamisol).html

>  <CAS Number> (512)
16595-80-5 

$$$$
LEXXEL (enalapril maleate).cdx
csChFnd80/07171813082D

 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
    7.2831    4.9776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    7.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8776    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7079    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.7776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2038    2.3062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1438    3.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    4.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0672    4.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4949    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   16.0606    2.1337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
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 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  1  0  0  0
 17 19  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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 21 25  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 28 29  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 31 34  1  0  0  0  0
 28 35  2  0  0  0  0
M  END
>  <Mol_ID> (513)
578

>  <Formula> (513)
C24H32N2O9

>  <MolWeight> (513)
492.51888

>  <Item Name> (513)
Enalapril maleate (Vasotec)

>  <Catalog Number> (513)
S1941

>  <Synonyms> (513)
Glioten, Renitec 

>  <Target> (513)
Opioid Receptor

>  <Form> (513)
Maleate

>  <URL> (513)
http://www.selleckchem.com/products/Enalapril-maleate(Vasotec).html

>  <CAS Number> (513)
76095-16-4

$$$$
MENADIONE (menadione).cdx
csChFnd80/07171813082D

 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> (514)
579

>  <Formula> (514)
C11H8O2

>  <MolWeight> (514)
172.18002

>  <Item Name> (514)
Menadione

>  <Catalog Number> (514)
S1949

>  <Synonyms> (514)
Vitamin K3

>  <Target> (514)
DNA/RNA Synthesis,phosphatase

>  <Form> (514)
Free Base

>  <URL> (514)
http://www.selleckchem.com/products/Menadione.html

>  <CAS Number> (514)
58-27-5

$$$$
Metformin hydrochloride.cdx
csChFnd80/07171813082D

 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> (515)
580

>  <Formula> (515)
C4H12ClN5

>  <MolWeight> (515)
165.62458

>  <Item Name> (515)
Metformin hydrochloride (Glucophage)

>  <Catalog Number> (515)
S1950

>  <Synonyms> (515)
Glucophage, Riomet, Diabex

>  <Target> (515)
Others

>  <Form> (515)
Hydrochloride

>  <URL> (515)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

>  <CAS Number> (515)
1115-70-4

$$$$
Methoxsalen.cdx
csChFnd80/07171813082D

 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
    8.2123    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    4.6253    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
    4.8455    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  2 14  2  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (516)
581

>  <Formula> (516)
C12H8O4

>  <MolWeight> (516)
216.18952

>  <Item Name> (516)
Methoxsalen (Oxsoralen)

>  <Catalog Number> (516)
S1952

>  <Synonyms> (516)
Xanthotoxin, Metoxaleno,  Dltasoralen, Meladinine, Uvadex

>  <Target> (516)
P450 (e.g. CYP17)

>  <Form> (516)
Free Base

>  <URL> (516)
http://www.selleckchem.com/products/Methoxsalen(Oxsoralen).html

>  <CAS Number> (516)
298-81-7

$$$$
Miconazole nitrate.cdx
csChFnd80/07171813082D

 29 30  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
    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
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    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
    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
    9.6784    4.1951    0.0000 Cl  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
   14.5248    1.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7373    2.3188    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.7373    3.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9455    1.6212    0.0000 O   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
  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
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 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
 12 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 12  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (517)
582

>  <Formula> (517)
C18H15Cl4N3O4

>  <MolWeight> (517)
479.1414

>  <Item Name> (517)
Miconazole nitrate

>  <Catalog Number> (517)
S1956

>  <Synonyms> (517)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (517)
Antifection

>  <Form> (517)
Nitrate 

>  <URL> (517)
http://www.selleckchem.com/products/Miconazole-nitrate.html

>  <CAS Number> (517)
22832-87-7

$$$$
MYSOLINE (primidone).cdx
csChFnd80/07171813082D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    3.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    2.4249    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
    3.1249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.7349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 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
  5 16  2  0  0  0  0
M  END
>  <Mol_ID> (518)
583

>  <Formula> (518)
C12H14N2O2

>  <MolWeight> (518)
218.25176

>  <Item Name> (518)
Primidone (Mysoline)

>  <Catalog Number> (518)
S1965

>  <Synonyms> (518)
Mysoline, Neurosyn, Mylepsin

>  <Target> (518)
Sodium Channel

>  <Form> (518)
Free Base

>  <URL> (518)
http://www.selleckchem.com/products/Primidone(Mysoline).html

>  <CAS Number> (518)
125-33-7

$$$$
Nefiracetam.cdx
csChFnd80/07171813082D

 18 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
    2.4595    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844    3.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    4.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    5.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    3.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    4.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    5.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    6.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    5.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    2.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7626    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  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  2  0  0  0  0
  5  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
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
 11 12  1  0  0  0  0
  7 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
 16 17  1  0  0  0  0
 17  2  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (519)
584

>  <Formula> (519)
C14H18N2O2

>  <MolWeight> (519)
246.30492

>  <Item Name> (519)
Nefiracetam (Translon)

>  <Catalog Number> (519)
S1969

>  <Synonyms> (519)
DM 9384, Translon, DZL-221

>  <Target> (519)
GABA Receptor

>  <Form> (519)
Free Base

>  <URL> (519)
http://www.selleckchem.com/products/Nefiracetam(Translon).html

>  <CAS Number> (519)
77191-36-7

$$$$
Nicorandil.cdx
csChFnd80/07171813082D

 15 15  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 N   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
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9035    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  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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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (520)
585

>  <Formula> (520)
C8H9N3O4

>  <MolWeight> (520)
211.17476

>  <Item Name> (520)
Nicorandil (Ikorel)

>  <Catalog Number> (520)
S1971

>  <Synonyms> (520)
SG-75

>  <Target> (520)
Potassium Channel

>  <Form> (520)
Free Base

>  <URL> (520)
http://www.selleckchem.com/products/Nicorandil(Ikorel).html

>  <CAS Number> (520)
65141-46-0

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/07171813082D

 41 42  0  0  0  0  0  0  0  0999 V2000
    6.0368    8.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0302    7.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3872    7.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7508    9.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7574   10.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4004    9.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031    9.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0930    8.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4453    8.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7307    7.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4353    7.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3737    6.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0101    5.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0035    4.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3605    4.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7241    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    8.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945    9.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146   10.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1861   12.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1927   13.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8356   13.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6656    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3029    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5154    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7278    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7278    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9402    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5154    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0905    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    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  2  0  0  0  0
  8  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
 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 10  1  0  0  0  0
  1 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
 20 22  1  0  0  0  0
  7 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
 29 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 38  1  0  0  0  0
 33 41  1  0  0  0  0
 32 33  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (521)
586

>  <Formula> (521)
C32H37NO8

>  <MolWeight> (521)
563.63808

>  <Item Name> (521)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (521)
S1972

>  <Synonyms> (521)
Istubal

>  <Target> (521)
Estrogen/progestogen Receptor

>  <Form> (521)
Citrate

>  <URL> (521)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (521)
54965-24-1

$$$$
PF 3716556.cdx
csChFnd80/07171813082D

 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
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   10.6204    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
  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
  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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 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (522)
587

>  <Formula> (522)
C22H26N4O3

>  <MolWeight> (522)
394.46684

>  <Item Name> (522)
PF 3716556

>  <Catalog Number> (522)
S2222

>  <Synonyms> (522)
N/A 

>  <Target> (522)
ATPase, Proton Pump

>  <Form> (522)
Free Base

>  <URL> (522)
http://www.selleckchem.com/products/PF-3716556.html

>  <CAS Number> (522)
928774-43-0

$$$$
PAMINE (methscopolamine bromide).cdx
csChFnd80/07171813082D

 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
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    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
    9.9181    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1305    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
M  END
>  <Mol_ID> (523)
588

>  <Formula> (523)
C18H24BrNO4

>  <MolWeight> (523)
398.29146

>  <Item Name> (523)
Methscopolamine (Pamine)

>  <Catalog Number> (523)
S1978

>  <Synonyms> (523)
N/A 

>  <Target> (523)
AChR

>  <Form> (523)
quaternary-N bromide salt

>  <URL> (523)
http://www.selleckchem.com/products/Methscopolamine-bromide(Pamine).html

>  <CAS Number> (523)
155-41-9

$$$$
PROPYLTHIOURACIL (propylthiouracil).cdx
csChFnd80/07171813082D

 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
    6.0496    2.1000    0.0000 N   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 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
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  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> (524)
589

>  <Formula> (524)
C7H10N2OS

>  <MolWeight> (524)
170.2321

>  <Item Name> (524)
Propylthiouracil

>  <Catalog Number> (524)
S1988

>  <Synonyms> (524)
6-n-Propylthiouracil

>  <Target> (524)
Others

>  <Form> (524)
Free Base

>  <URL> (524)
http://www.selleckchem.com/products/Propylthiouracil.html

>  <CAS Number> (524)
51-52-5

$$$$
SEROMYCIN (cycloserine).cdx
csChFnd80/07171813082D

  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
    1.1326    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    1.3315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5921    1.7626    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  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> (525)
590

>  <Formula> (525)
C3H6N2O2

>  <MolWeight> (525)
102.09194

>  <Item Name> (525)
D-Cycloserine

>  <Catalog Number> (525)
S1998

>  <Synonyms> (525)
Seromycin

>  <Target> (525)
Antifection

>  <Form> (525)
Free Base

>  <URL> (525)
http://www.selleckchem.com/products/D-Cycloserine.html

>  <CAS Number> (525)
68-41-7

$$$$
Sodium butyrate.cdx
csChFnd80/07171813082D

  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> (526)
591

>  <Formula> (526)
C4H7NaO2

>  <MolWeight> (526)
110.08695

>  <Item Name> (526)
Sodium butyrate

>  <Catalog Number> (526)
S1999

>  <Synonyms> (526)
Butyric acid sodium salt

>  <Target> (526)
HDAC

>  <Form> (526)
Sodium Salt

>  <URL> (526)
http://www.selleckchem.com/products/Sodium-butyrate.html

>  <CAS Number> (526)
156-54-7

$$$$
Sodium orthovanadate.cdx
csChFnd80/07171813082D

  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> (527)
592

>  <Formula> (527)
Na3O4V

>  <MolWeight> (527)
183.90841

>  <Item Name> (527)
Sodium orthovanadate

>  <Catalog Number> (527)
S2000

>  <Synonyms> (527)
N/A

>  <Target> (527)
ATPase

>  <Form> (527)
Sodium Salt

>  <URL> (527)
http://www.selleckchem.com/products/Sodium-orthovanadate.html

>  <CAS Number> (527)
13721-39-6

$$$$
untitled.cdx
csChFnd80/07171813082D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.2788    9.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  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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 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 18 20  1  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> (528)
593

>  <Formula> (528)
C23H23ClFNO5

>  <MolWeight> (528)
447.8838232

>  <Item Name> (528)
Elvitegravir (GS-9137)

>  <Catalog Number> (528)
S2001

>  <Synonyms> (528)
N/A 

>  <Target> (528)
Integrase 

>  <Form> (528)
Free Base

>  <URL> (528)
http://www.selleckchem.com/products/Elvitegravir.html

>  <CAS Number> (528)
697761-98-1

$$$$
untitled.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (529)
594

>  <Formula> (529)
C29H41F2N5O

>  <MolWeight> (529)
513.6655464

>  <Item Name> (529)
Maraviroc

>  <Catalog Number> (529)
S2003

>  <Synonyms> (529)
UK-427857, Celsentri 

>  <Target> (529)
CCR5 

>  <Form> (529)
Free Base

>  <URL> (529)
http://www.selleckchem.com/products/Maraviroc.html

>  <CAS Number> (529)
376348-65-1

$$$$
Raltegravir.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (530)
596

>  <Formula> (530)
C20H21FN6O5

>  <MolWeight> (530)
444.4163432

>  <Item Name> (530)
Raltegravir (MK-0518)

>  <Catalog Number> (530)
S2005

>  <Synonyms> (530)
Isentress 

>  <Target> (530)
Integrase

>  <Form> (530)
Free Base

>  <URL> (530)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

>  <CAS Number> (530)
518048-05-0

$$$$
pyrimethamine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (531)
597

>  <Formula> (531)
C12H13ClN4

>  <MolWeight> (531)
248.71142

>  <Item Name> (531)
Pyrimethamine

>  <Catalog Number> (531)
S2006

>  <Synonyms> (531)
Daraprim

>  <Target> (531)
NULL

>  <Form> (531)
Free Base

>  <URL> (531)
http://www.selleckchem.com/products/Pyrimethamine.html

>  <CAS Number> (531)
58-14-0

$$$$
Sulindac.cdx
csChFnd80/07171813082D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.1539    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> (532)
598

>  <Formula> (532)
C20H17FO3S

>  <MolWeight> (532)
356.4105832

>  <Item Name> (532)
Sulindac (Clinoril)

>  <Catalog Number> (532)
S2007

>  <Synonyms> (532)
Clinoril, Aflodac, Sulreuma

>  <Target> (532)
NULL

>  <Form> (532)
Free Base

>  <URL> (532)
http://www.selleckchem.com/products/Sulindac(Clinoril).html

>  <CAS Number> (532)
38194-50-2

$$$$
Taurine.cdx
csChFnd80/07171813082D

  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
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
  2  3  1  0  0  0  0
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  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> (533)
599

>  <Formula> (533)
C2H7NO3S

>  <MolWeight> (533)
125.14688

>  <Item Name> (533)
Taurine

>  <Catalog Number> (533)
S2008

>  <Synonyms> (533)
2-Aminoethanesulfonic acid

>  <Target> (533)
Others

>  <Form> (533)
Free Base

>  <URL> (533)
http://www.selleckchem.com/products/Taurine.html

>  <CAS Number> (533)
107-35-7

$$$$
Sclareolide.cdx
csChFnd80/07171813082D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    7.1868    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1868    4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2180    3.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (534)
600

>  <Formula> (534)
C16H26O2

>  <MolWeight> (534)
250.37644

>  <Item Name> (534)
Sclareolide (Norambreinolide)

>  <Catalog Number> (534)
S2355

>  <Synonyms> (534)
Norambreinolide

>  <Target> (534)
Others

>  <Form> (534)
Free Base

>  <URL> (534)
http://www.selleckchem.com/products/Sclareolide(Norambreinolide).html

>  <CAS Number> (534)
564-20-5

$$$$
Shikimic acid.cdx
csChFnd80/07171813082D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (535)
601

>  <Formula> (535)
C7H10O5

>  <MolWeight> (535)
174.1513

>  <Item Name> (535)
Shikimic acid (Shikimate)

>  <Catalog Number> (535)
S2356

>  <Synonyms> (535)
Shikimate, Bracken fern toxic component, L-Shikimic acid 

>  <Target> (535)
Others

>  <Form> (535)
Free Base

>  <URL> (535)
http://www.selleckchem.com/products/Shikimic-acid(Shikimate).html

>  <CAS Number> (535)
138-59-0 

$$$$
Silibinin.cdx
csChFnd80/07171813082D

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.0538    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9035    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    4.1927    0.0000 O   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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  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10  5  2  0  0  0  0
 12 11  1  6  0  0  0
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 13  8  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 15 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 16  2  0  0  0  0
  2 22  1  6  0  0  0
 22 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 23  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 26 30  1  0  0  0  0
  1 31  1  1  0  0  0
 31 32  1  0  0  0  0
 14 33  2  0  0  0  0
 18 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
>  <Mol_ID> (536)
602

>  <Formula> (536)
C25H22O10

>  <MolWeight> (536)
482.43618

>  <Item Name> (536)
Silibinin (Silybin)

>  <Catalog Number> (536)
S2357

>  <Synonyms> (536)
Silybin

>  <Target> (536)
Others

>  <Form> (536)
Free Base

>  <URL> (536)
http://www.selleckchem.com/products/Silibinin(Silybin).html

>  <CAS Number> (536)
22888-70-6

$$$$
Silymarin.cdx
csChFnd80/07171813082D

 35 39  0  0  0  0  0  0  0  0999 V2000
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5927    2.4207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2927    1.2082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
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 21 22  2  0  0  0  0
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 23 19  1  0  0  0  0
 21 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
  6 28  1  0  0  0  0
  1 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7  8  1  0  0  0  0
  8 31  1  0  0  0  0
 31 32  1  0  0  0  0
 20 33  2  0  0  0  0
 24 34  1  0  0  0  0
 26 35  1  0  0  0  0
M  END
>  <Mol_ID> (537)
603

>  <Formula> (537)
C25H22O10

>  <MolWeight> (537)
482.43618

>  <Item Name> (537)
Silymarin (Silybin B)

>  <Catalog Number> (537)
S2358

>  <Synonyms> (537)
Silybin B, Silibinin B

>  <Target> (537)
NULL

>  <Form> (537)
Free Base

>  <URL> (537)
http://www.selleckchem.com/products/Silymarin(Silybin-B).html

>  <CAS Number> (537)
65666-07-1

$$$$
Sinomenine.cdx
csChFnd80/07171813082D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7951    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
    4.8455    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    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
    7.2662    4.1976    0.0000 N   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
    7.2789    3.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 H   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
  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  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
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 12 19  2  0  0  0  0
 18 20  1  0  0  0  0
  9 21  1  6  0  0  0
  7 22  1  6  0  0  0
 21 23  1  0  0  0  0
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 21 24  1  0  0  0  0
  8 25  1  6  0  0  0
M  END
>  <Mol_ID> (538)
604

>  <Formula> (538)
C19H23NO4

>  <MolWeight> (538)
329.39022

>  <Item Name> (538)
Sinomenine (Cucoline)

>  <Catalog Number> (538)
S2359

>  <Synonyms> (538)
Cucoline, Kukoline, Coculine, Sabianine A 

>  <Target> (538)
Others

>  <Form> (538)
Free Base

>  <URL> (538)
http://www.selleckchem.com/products/Sinomenine(Cucoline).html

>  <CAS Number> (538)
115-53-7

$$$$
Synephrine.cdx
csChFnd80/07171813082D

 12 12  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  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   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
  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  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (539)
606

>  <Formula> (539)
C9H13NO2

>  <MolWeight> (539)
167.20502

>  <Item Name> (539)
Synephrine (Oxedrine)

>  <Catalog Number> (539)
S2362

>  <Synonyms> (539)
Oxedrine, p-Synephrine, Sympatol, Parasympatol, Sympaethamine 

>  <Target> (539)
Androgen Receptor

>  <Form> (539)
Free Base

>  <URL> (539)
http://www.selleckchem.com/products/Synephrine(Oxedrine).html

>  <CAS Number> (539)
94-07-5

$$$$
Tangeretin.cdx
csChFnd80/07171813082D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.5605    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (540)
607

>  <Formula> (540)
C20H20O7

>  <MolWeight> (540)
372.3686

>  <Item Name> (540)
Tangeretin (Tangeritin)

>  <Catalog Number> (540)
S2363

>  <Synonyms> (540)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (540)
ROS

>  <Form> (540)
Free Base

>  <URL> (540)
http://www.selleckchem.com/products/Tangeretin(Tangeritin).html

>  <CAS Number> (540)
481-53-8

$$$$
Tanshinone I.cdx
csChFnd80/07171813082D

 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> (541)
608

>  <Formula> (541)
C18H12O3

>  <MolWeight> (541)
276.28608

>  <Item Name> (541)
Tanshinone I

>  <Catalog Number> (541)
S2364

>  <Synonyms> (541)
N/A

>  <Target> (541)
Others

>  <Form> (541)
Free Base

>  <URL> (541)
http://www.selleckchem.com/products/Tanshinone-I.html

>  <CAS Number> (541)
568-73-0

$$$$
Tanshinone IIA.cdx
csChFnd80/07171813082D

 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
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3937    5.8451    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
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  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> (542)
609

>  <Formula> (542)
C19H18O3

>  <MolWeight> (542)
294.34442

>  <Item Name> (542)
Tanshinone IIA (Tanshinone B)

>  <Catalog Number> (542)
S2365

>  <Synonyms> (542)
Tanshinone B, Tanshinone II

>  <Target> (542)
Lipase

>  <Form> (542)
Free Base

>  <URL> (542)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

>  <CAS Number> (542)
568-72-9

$$$$
Tetrahydropapaverine hydrochloride.cdx
csChFnd80/07171813082D

 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
    1.2124    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    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
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    8.4828    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3992    1.1618    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
  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
 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
 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> (543)
610

>  <Formula> (543)
C20H26ClNO4

>  <MolWeight> (543)
379.87774

>  <Item Name> (543)
Tetrahydropapaverine hydrochloride

>  <Catalog Number> (543)
S2367

>  <Synonyms> (543)
N/A

>  <Target> (543)
Hydroxylase

>  <Form> (543)
Hydrochloride

>  <URL> (543)
http://www.selleckchem.com/products/Tetrahydropapaverine-hydrochloride.html

>  <CAS Number> (543)
6429-04-5 

$$$$
Troxerutin.cdx
csChFnd80/07171813082D

 52 56  0  0  0  0  0  0  0  0999 V2000
    4.8371    4.2000    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
    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
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3242    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9615    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    9.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0496    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538   10.4976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413   11.1976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289   10.4976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    9.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    8.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    6.3024    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
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 10  5  1  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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 17 12  1  0  0  0  0
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 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 26 13  1  6  0  0  0
 26 27  1  0  0  0  0
 28 10  2  0  0  0  0
 26 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 27  1  0  0  0  0
  6 33  1  0  0  0  0
  2 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 38  1  6  0  0  0
 38 39  1  0  0  0  0
 40 39  1  6  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
 44 45  1  0  0  0  0
 45 40  1  0  0  0  0
 30 46  1  6  0  0  0
 44 47  1  1  0  0  0
 42 48  1  1  0  0  0
 43 49  1  6  0  0  0
 41 50  1  1  0  0  0
 31 51  1  1  0  0  0
 29 52  1  1  0  0  0
M  END
>  <Mol_ID> (544)
612

>  <Formula> (544)
C33H42O19

>  <MolWeight> (544)
742.67518

>  <Item Name> (544)
Troxerutin

>  <Catalog Number> (544)
S2369

>  <Synonyms> (544)
Trihydroxyethylrutin, Troxerutin

>  <Target> (544)
Thrombin

>  <Form> (544)
Free Base

>  <URL> (544)
http://www.selleckchem.com/products/Troxerutin.html

>  <CAS Number> (544)
7085-55-4

$$$$
Ursolic acid.cdx
csChFnd80/07171813082D

 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
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   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
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    8.4828    7.5124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.1207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    5.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.6124    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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  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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 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
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 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
 19 25  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 22 28  1  1  0  0  0
 18 29  1  1  0  0  0
  9 30  1  1  0  0  0
  5 31  1  1  0  0  0
  2 32  1  1  0  0  0
  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> (545)
613

>  <Formula> (545)
C30H48O3

>  <MolWeight> (545)
456.70032

>  <Item Name> (545)
Ursolic acid (Malol)

>  <Catalog Number> (545)
S2370

>  <Synonyms> (545)
Malol, Prunol, Urson

>  <Target> (545)
Others

>  <Form> (545)
Free Base

>  <URL> (545)
http://www.selleckchem.com/products/Ursolic-acid(Malol).html

>  <CAS Number> (545)
77-52-1

$$$$
Vanillylacetone.cdx
csChFnd80/07171813082D

 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> (546)
614

>  <Formula> (546)
C11H14O3

>  <MolWeight> (546)
194.22706

>  <Item Name> (546)
Vanillylacetone

>  <Catalog Number> (546)
S2371

>  <Synonyms> (546)
N/A

>  <Target> (546)
Others

>  <Form> (546)
Free Base

>  <URL> (546)
http://www.selleckchem.com/products/Vanillylacetone.html

>  <CAS Number> (546)
122-48-5

$$$$
Xanthone.cdx
csChFnd80/07171813082D

 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
  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
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (547)
615

>  <Formula> (547)
C13H8O2

>  <MolWeight> (547)
196.20142

>  <Item Name> (547)
Xanthone (Genicide)

>  <Catalog Number> (547)
S2372

>  <Synonyms> (547)
Genicide, Benzophenone oxide, Diphenylene ketone oxide 

>  <Target> (547)
Others

>  <Form> (547)
Free Base

>  <URL> (547)
http://www.selleckchem.com/products/Xanthone(Genicide).html

>  <CAS Number> (547)
90-47-1 

$$$$
Yohimbine hydrochloride.cdx
csChFnd80/07171813082D

 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
    9.9760    0.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2420    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8773    1.6169    0.0000 O   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> (548)
616

>  <Formula> (548)
C21H27ClN2O3

>  <MolWeight> (548)
390.90368

>  <Item Name> (548)
Yohimbine hydrochloride (Antagonil)

>  <Catalog Number> (548)
S2373

>  <Synonyms> (548)
Antagonil, Yohimbe, Aphrodine hydrochloride, Yohimbine monohydrochloride 

>  <Target> (548)
NULL

>  <Form> (548)
Hydrochloride

>  <URL> (548)
http://www.selleckchem.com/products/Yohimbine-hydrochloride(Antagonil).html

>  <CAS Number> (548)
65-19-0 

$$$$
5-HTP.cdx
csChFnd80/07171813082D

 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
  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
  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  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (549)
617

>  <Formula> (549)
C11H12N2O3

>  <MolWeight> (549)
220.22458

>  <Item Name> (549)
5-hydroxytryptophan (5-HTP)

>  <Catalog Number> (549)
S2374

>  <Synonyms> (549)
N/A 

>  <Target> (549)
Others

>  <Form> (549)
Free Base

>  <URL> (549)
http://www.selleckchem.com/products/5-hydroxytryptophan(5-HTP).html

>  <CAS Number> (549)
56-69-9

$$$$
Aloin.cdx
csChFnd80/07171813082D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.6903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    7.6903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  1  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
    2.4249    2.0951    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
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    3.6373    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2166    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    7.6879    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
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.4951    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  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  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  9  1  0  0  0  0
 11 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 12  1  0  0  0  0
  6 21  1  1  0  0  0
  4 22  1  1  0  0  0
  3 23  1  1  0  0  0
  7 24  1  1  0  0  0
  5 25  1  6  0  0  0
  1 26  1  6  0  0  0
 26 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 19 30  1  0  0  0  0
 30 31  1  0  0  0  0
 10 32  2  0  0  0  0
M  END
>  <Mol_ID> (550)
618

>  <Formula> (550)
C21H22O9

>  <MolWeight> (550)
418.39398

>  <Item Name> (550)
Aloin (Barbaloin)

>  <Catalog Number> (550)
S2375 

>  <Synonyms> (550)
Barbaloin

>  <Target> (550)
Tyrosinase

>  <Form> (550)
Free Base

>  <URL> (550)
http://www.selleckchem.com/products/Aloin(Barbaloin).html

>  <CAS Number> (550)
1415-73-2 

$$$$
Ammonium Glycyrrhizinate.cdx
csChFnd80/07171813082D

 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
    2.4207    1.4000    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
    4.8455    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  1  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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4828    4.9000    0.0000 C   0  0  2  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
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6953    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1201    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9077    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9699    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9699    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7575    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    8.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    7.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4825    4.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4724    5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    4.9024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7373   10.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9398   10.9011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1634   10.2208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3644   10.9011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3644   12.3009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1634   12.9812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9398   12.3009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1690   14.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5697   10.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5697   13.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1690    8.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9636   15.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3800   15.0691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7274   11.6011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1416    0.2188    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  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  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  6  0  0  0
 23 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
  4 30  1  6  0  0  0
  5 31  1  6  0  0  0
  1 32  1  1  0  0  0
  1 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 13 36  2  0  0  0  0
  9 37  1  1  0  0  0
 12 38  1  1  0  0  0
 17 39  1  1  0  0  0
 24 40  1  1  0  0  0
 26 41  1  1  0  0  0
 28 42  1  1  0  0  0
 11 43  1  6  0  0  0
 18 44  1  6  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 27 47  1  6  0  0  0
 41 48  1  0  0  0  0
 41 49  2  0  0  0  0
 29 50  1  6  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 51  1  0  0  0  0
 55 57  1  6  0  0  0
 53 58  1  6  0  0  0
 54 59  1  1  0  0  0
 52 60  1  1  0  0  0
 57 61  2  0  0  0  0
 57 62  1  0  0  0  0
 51 63  1  1  0  0  0
M  END
>  <Mol_ID> (551)
619

>  <Formula> (551)
C42H65NO16

>  <MolWeight> (551)
839.9626

>  <Item Name> (551)
Ammonium Glycyrrhizinate (AMGZ)

>  <Catalog Number> (551)
S2376

>  <Synonyms> (551)
AMGZ

>  <Target> (551)
Dehydrogenase

>  <Form> (551)
Glycyrrhizic acid salt

>  <URL> (551)
http://www.selleckchem.com/products/Ammonium-Glycyrrhizinate(AMGZ).html

>  <CAS Number> (551)
1407-03-0

$$$$
Biochanin A.cdx
csChFnd80/07171813082D

 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
    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
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   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
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7024    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
  7 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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (552)
620

>  <Formula> (552)
C16H12O5

>  <MolWeight> (552)
284.26348

>  <Item Name> (552)
Biochanin A (4-Methylgenistein)

>  <Catalog Number> (552)
S2377

>  <Synonyms> (552)
4-Methylgenistein

>  <Target> (552)
FAAH

>  <Form> (552)
Free Base

>  <URL> (552)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

>  <CAS Number> (552)
491-80-5

$$$$
Butylscopolamine bromide.cdx
csChFnd80/07171813082D

 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
    8.4722    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0999    5.4760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7970    4.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3953    6.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6783    6.7887    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0999    8.2398    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    3.9638    6.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638    5.0225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6783    7.7616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550    7.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3908    3.6295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    4.0809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4679    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874    8.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2498   10.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2632   11.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243   12.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    9.1527    0.0000 C   0  0  0  0  0  0  0  0  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  2  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
 11 12  1  0  0  0  0
 12 13  1  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
 13 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 19  8  1  6  0  0  0
 14 20  1  6  0  0  0
 13 21  1  6  0  0  0
 12 22  1  6  0  0  0
 11 23  1  1  0  0  0
 10 24  1  1  0  0  0
  9 25  2  0  0  0  0
 24 26  1  0  0  0  0
 15 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
 15 31  1  0  0  0  0
M  END
>  <Mol_ID> (553)
621

>  <Formula> (553)
C21H30BrNO4

>  <MolWeight> (553)
440.3712

>  <Item Name> (553)
Butylscopolamine bromide (Scopolamine butylb

>  <Catalog Number> (553)
S2378

>  <Synonyms> (553)
Scopolamine butylbromide, Butylhyoscine

>  <Target> (553)
Others

>  <Form> (553)
Bromide

>  <URL> (553)
http://www.selleckchem.com/products/Butylscopolamine-bromide(Scopolamine-butylbromide).html

>  <CAS Number> (553)
149-64-4

$$$$
Dioscin.cdx
csChFnd80/07171813082D

 69 77  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (554)
622

>  <Formula> (554)
C45H72O16

>  <MolWeight> (554)
869.04358

>  <Item Name> (554)
Dioscin (Collettiside III)

>  <Catalog Number> (554)
S2379

>  <Synonyms> (554)
Collettiside III, CCRIS 4123 

>  <Target> (554)
Others

>  <Form> (554)
Free Base

>  <URL> (554)
http://www.selleckchem.com/products/Dioscin(Collettiside-III).html

>  <CAS Number> (554)
19057-60-4 

$$$$
Diosmetin.cdx
csChFnd80/07171813082D

 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> (555)
623

>  <Formula> (555)
C16H12O6

>  <MolWeight> (555)
300.26288

>  <Item Name> (555)
Diosmetin (Luteolin 4-methyl ether)

>  <Catalog Number> (555)
S2380

>  <Synonyms> (555)
Luteolin 4-methyl ether

>  <Target> (555)
P450 (e.g. CYP17)

>  <Form> (555)
Free Base

>  <URL> (555)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

>  <CAS Number> (555)
520-34-3

$$$$
D-Mannitol.cdx
csChFnd80/07171813082D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (556)
624

>  <Formula> (556)
C6H14O6

>  <MolWeight> (556)
182.17176

>  <Item Name> (556)
D-Mannitol (Osmitrol)

>  <Catalog Number> (556)
S2381 

>  <Synonyms> (556)
Mannitol, Osmitrol, Osmofundin

>  <Target> (556)
Others

>  <Form> (556)
Free Base

>  <URL> (556)
http://www.selleckchem.com/products/D-Mannitol(Osmitrol).html

>  <CAS Number> (556)
69-65-8 

$$$$
Gastrodin.cdx
csChFnd80/07171813082D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    3.6331    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    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
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    7.2620    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (557)
626

>  <Formula> (557)
C13H18O7

>  <MolWeight> (557)
286.27782

>  <Item Name> (557)
Gastrodin (Gastrodine)

>  <Catalog Number> (557)
S2383

>  <Synonyms> (557)
Gastrodine

>  <Target> (557)
Others

>  <Form> (557)
Free Base

>  <URL> (557)
http://www.selleckchem.com/products/Gastrodin(Gastrodine).html

>  <CAS Number> (557)
62499-27-8 

$$$$
Hematoxylin.cdx
csChFnd80/07171813082D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.5036    4.5325    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5036    3.1325    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7161    2.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9285    3.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9285    4.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7161    5.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7161    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9285    0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1409    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1409    2.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1722    4.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3493    3.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1722    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9569    3.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    2.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2104    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027    1.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6429    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3492    3.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3492    0.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3578    5.9199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3578    1.7450    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  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
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  2  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 13  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 10 20  1  0  0  0  0
  9 21  1  0  0  0  0
  1 22  1  6  0  0  0
  2 23  1  6  0  0  0
M  END
>  <Mol_ID> (558)
627

>  <Formula> (558)
C16H14O6

>  <MolWeight> (558)
302.27876

>  <Item Name> (558)
Hematoxylin (Hydroxybrazilin)

>  <Catalog Number> (558)
S2384

>  <Synonyms> (558)
Hydroxybrazilin, Natural Black 1

>  <Target> (558)
Others

>  <Form> (558)
Free Base

>  <URL> (558)
http://www.selleckchem.com/products/Hematoxylin(Hydroxybrazilin).html

>  <CAS Number> (558)
517-28-2

$$$$
Hordenine.cdx
csChFnd80/07171813082D

 12 12  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 N   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
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    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
  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
  2 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (559)
628

>  <Formula> (559)
C10H15NO

>  <MolWeight> (559)
165.2322

>  <Item Name> (559)
Hordenine

>  <Catalog Number> (559)
S2385

>  <Synonyms> (559)
N,N-dimethyl-4-hydroxyphenylethylamine 

>  <Target> (559)
Antifection

>  <Form> (559)
Free Base

>  <URL> (559)
http://www.selleckchem.com/products/Hordenine.html

>  <CAS Number> (559)
539-15-1 

$$$$
Indirubin.cdx
csChFnd80/07171813082D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (560)
629

>  <Formula> (560)
C16H10N2O2

>  <MolWeight> (560)
262.2628

>  <Item Name> (560)
Indirubin

>  <Catalog Number> (560)
S2386

>  <Synonyms> (560)
N/A

>  <Target> (560)
GSK-3

>  <Form> (560)
Free Base

>  <URL> (560)
http://www.selleckchem.com/products/Indirubin.html

>  <CAS Number> (560)
479-41-4 

$$$$
Lappaconite Hydrobromide.cdx
csChFnd80/07171813082D

 46 51  0  0  0  0  0  0  0  0999 V2000
    2.2778    9.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2778    7.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4903    7.2620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7027    7.9620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7027    9.3620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4903   10.0620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1276    7.9620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1276    9.3620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9152   10.0620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3132    7.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7132    7.0578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7027   10.7620    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9069    8.7349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    6.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4903    4.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1878    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4878    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1878    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3400   10.0620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3400   11.4620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9152   11.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7090   11.4328    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7090    7.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5525    9.3620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1234   10.7596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3486   12.8571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7016   12.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1016   12.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4903   11.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2778   12.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382    6.8391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8276    6.7496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0840    8.6620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5424    7.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5546    9.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5546   10.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5632    3.0474    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
  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
  5 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  3 14  1  6  0  0  0
  3 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
 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
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
  8 28  1  0  0  0  0
 28 29  1  0  0  0  0
  9 30  1  0  0  0  0
 30 29  1  0  0  0  0
 29 31  1  0  0  0  0
 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
 36 37  1  0  0  0  0
  6 38  1  6  0  0  0
 38 39  1  0  0  0  0
  4 40  1  1  0  0  0
  7 41  1  1  0  0  0
  8 42  1  1  0  0  0
 33 43  1  0  0  0  0
 13 44  1  0  0  0  0
 44 45  1  0  0  0  0
 11 12  1  6  0  0  0
M  END
>  <Mol_ID> (561)
630

>  <Formula> (561)
C32H45BrN2O8

>  <MolWeight> (561)
665.6123

>  <Item Name> (561)
Lappaconite Hydrobromide

>  <Catalog Number> (561)
S2387

>  <Synonyms> (561)
N/A

>  <Target> (561)
Others

>  <Form> (561)
Hydrobromide

>  <URL> (561)
http://www.selleckchem.com/products/Lappaconite-Hydrobromide.html

>  <CAS Number> (561)
97792-45-5 

$$$$
L-carnitine.cdx
csChFnd80/07171813082D

 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
    0.0000    2.1000    0.0000 O   0  5  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
  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
  5  8  1  0  0  0  0
  3  9  1  6  0  0  0
  1 10  1  0  0  0  0
  1 11  2  0  0  0  0
M  END
>  <Mol_ID> (562)
631

>  <Formula> (562)
C7H15NO3

>  <MolWeight> (562)
161.1989

>  <Item Name> (562)
L-carnitine (Levocarnitine)

>  <Catalog Number> (562)
S2388

>  <Synonyms> (562)
Levocarnitine, Carnitor, vitamin BT, Karnitin

>  <Target> (562)
Others

>  <Form> (562)
quaternary-N  salt

>  <URL> (562)
http://www.selleckchem.com/products/L-carnitine(Levocarnitine).html

>  <CAS Number> (562)
541-15-1

$$$$
Naringin Dihydrochalcone.cdx
csChFnd80/07171813082D

 42 45  0  0  0  0  0  0  0  0999 V2000
    8.4307    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4307    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434    9.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8562    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8562    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434   10.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0647    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0647    9.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   16.9032    9.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1159    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1159    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9032    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6904    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3245    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2221    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0136    7.3584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0136    8.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8008    9.4590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5880    8.7588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5880    7.3584    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8008    6.6582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8008   10.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3795    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5922   11.5523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8296    4.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4005    4.1391    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2044    3.4673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4005    1.3955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6293    2.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3926    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3795    9.4565    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
  3  7  1  0  0  0  0
  5  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
 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> (563)
632

>  <Formula> (563)
C27H34O14

>  <MolWeight> (563)
582.55046

>  <Item Name> (563)
Naringin Dihydrochalcone (Naringin DC)

>  <Catalog Number> (563)
S2389 

>  <Synonyms> (563)
Naringin DC

>  <Target> (563)
Phospholipase (e.g. PLA)

>  <Form> (563)
Free Base

>  <URL> (563)
http://www.selleckchem.com/products/Naringin-Dihydrochalcone(Naringin-DC).html

>  <CAS Number> (563)
18916-17-1

$$$$
Polydatin.cdx
csChFnd80/07171813082D

 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
    8.4744    4.1927    0.0000 C   0  0  0  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
    7.2620    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.3115    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    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  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  6  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
 10 14  1  0  0  0  0
 12 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 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
  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> (564)
633

>  <Formula> (564)
C20H22O8

>  <MolWeight> (564)
390.38388

>  <Item Name> (564)
Polydatin(Piceid)

>  <Catalog Number> (564)
S2390

>  <Synonyms> (564)
Piceid, 3,4,5-Tsg, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside 

>  <Target> (564)
Phospholipase (e.g. PLA)

>  <Form> (564)
Free Base

>  <URL> (564)
http://www.selleckchem.com/products/Polydatin(Piceid).html

>  <CAS Number> (564)
65914-17-2

$$$$
Sesamin.cdx
csChFnd80/07171813082D

 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
    4.5793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.7875    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9999    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0403    3.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4709    4.3133    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0786    4.1670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7620    5.6827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5495    6.3827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5091    5.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6911    4.0211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8584    4.4591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0365    6.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1691    5.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4481    5.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5944    7.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4618    8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1828    7.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7270    5.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6638    6.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9638    7.6801    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
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 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
 14 10  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
 17 14  1  0  0  0  0
 14 18  1  6  0  0  0
 13 19  1  6  0  0  0
 15 20  1  6  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (565)
635

>  <Formula> (565)
C20H18O6

>  <MolWeight> (565)
354.35332

>  <Item Name> (565)
Sesamin (Fagarol)

>  <Catalog Number> (565)
S2392

>  <Synonyms> (565)
Fagarol, Sezamin

>  <Target> (565)
Others

>  <Form> (565)
Free Base

>  <URL> (565)
http://www.selleckchem.com/products/Sesamin(Fagarol).html

>  <CAS Number> (565)
607-80-7

$$$$
Sorbitol.cdx
csChFnd80/07171813082D

 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
    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
  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
  3  9  1  6  0  0  0
  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> (566)
636

>  <Formula> (566)
C6H14O6

>  <MolWeight> (566)
182.17176

>  <Item Name> (566)
Sorbitol (Glucitol)

>  <Catalog Number> (566)
S2393

>  <Synonyms> (566)
Glucitol 

>  <Target> (566)
Others

>  <Form> (566)
Free Base

>  <URL> (566)
http://www.selleckchem.com/products/Sorbitol(Glucitol).html

>  <CAS Number> (566)
50-70-4 

$$$$
Naringenin.cdx
csChFnd80/07171813082D

 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
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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    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
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    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  6  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
M  END
>  <Mol_ID> (567)
637

>  <Formula> (567)
C15H12O5

>  <MolWeight> (567)
272.25278

>  <Item Name> (567)
Naringenin

>  <Catalog Number> (567)
S2394

>  <Synonyms> (567)
N/A

>  <Target> (567)
P450

>  <Form> (567)
Free Base

>  <URL> (567)
http://www.selleckchem.com/products/Naringenin.html

>  <CAS Number> (567)
480-41-1

$$$$
Rheochrysidin.cdx
csChFnd80/07171813082D

 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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    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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    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  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
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    7.2704    4.1951    0.0000 C   0  0  0  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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    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
 11 12  2  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
 10 17  2  0  0  0  0
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 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> (568)
638

>  <Formula> (568)
C16H12O5

>  <MolWeight> (568)
284.26348

>  <Item Name> (568)
Rheochrysidin (Physcione)

>  <Catalog Number> (568)
S2395

>  <Synonyms> (568)
Physcion, Physcione, Parietin, Emodin 3-methyl ether, NSC 251670 

>  <Target> (568)
Others

>  <Form> (568)
Free Base

>  <URL> (568)
http://www.selleckchem.com/products/Rheochrysidin-Physcione.html

>  <CAS Number> (568)
521-61-9

$$$$
Salidroside.cdx
csChFnd80/07171813082D

 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
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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  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
  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 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> (569)
639

>  <Formula> (569)
C14H20O7

>  <MolWeight> (569)
300.3044

>  <Item Name> (569)
Salidroside (Rhodioloside)

>  <Catalog Number> (569)
S2396

>  <Synonyms> (569)
Rhodioloside

>  <Target> (569)
Others

>  <Form> (569)
Free Base

>  <URL> (569)
http://www.selleckchem.com/products/Salidroside-Rhodioloside.html

>  <CAS Number> (569)
10338-51-9

$$$$
Palmatine hydrochloride.cdx
csChFnd80/07171813082D

 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
    4.8455    4.8951    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
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  3  4  2  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 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> (570)
640

>  <Formula> (570)
C21H22ClNO4

>  <MolWeight> (570)
387.85668

>  <Item Name> (570)
Palmatine chloride

>  <Catalog Number> (570)
S2397

>  <Synonyms> (570)
Palmatine hydrochloride

>  <Target> (570)
Others

>  <Form> (570)
Chloride

>  <URL> (570)
http://www.selleckchem.com/products/Palmatine-chloride.html

>  <CAS Number> (570)
10605-02-4

$$$$
Pramipexole.cdx
csChFnd80/07171813082D

 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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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
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 13  5  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (571)
642

>  <Formula> (571)
C10H21Cl2N3OS

>  <MolWeight> (571)
302.26424

>  <Item Name> (571)
Pramipexole dihydrochloride monohydrate 

>  <Catalog Number> (571)
S2011

>  <Synonyms> (571)
Mirapex 

>  <Target> (571)
Dopamine Receptor

>  <Form> (571)
Dihydrochloride monohydrate

>  <URL> (571)
http://www.selleckchem.com/products/Pramipexole-dihydrochloride-monohydrate.html

>  <CAS Number> (571)
191217-81-9

$$$$
TRANCOPAL (chlormezanone).cdx
csChFnd80/07171813082D

 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 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
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3538    0.8851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    0.8851    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
  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
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  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
M  END
>  <Mol_ID> (572)
643

>  <Formula> (572)
C11H12ClNO3S

>  <MolWeight> (572)
273.73588

>  <Item Name> (572)
Chlormezanone (Trancopal)

>  <Catalog Number> (572)
S2021

>  <Synonyms> (572)
Trancopal

>  <Target> (572)
Others

>  <Form> (572)
Free Base

>  <URL> (572)
http://www.selleckchem.com/products/Chlormezanone(Trancopal).html

>  <CAS Number> (572)
80-77-3

$$$$
ATACAND (candesartan cilexetil).cdx
csChFnd80/07171813082D

 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
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4702    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.8927    0.0000 O   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
    4.8455    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    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
   12.2224    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0453    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2224    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2224    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4404    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1404    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5404    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6472    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8597    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8597    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6472    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0679    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2803    6.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4928    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4928    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2803    8.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0679    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   18.9803    2.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4130    3.8122    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  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 13  2  0  0  0  0
 12 14  1  0  0  0  0
  8 15  2  0  0  0  0
 10 16  1  0  0  0  0
 14 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 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> (573)
644

>  <Formula> (573)
C33H34N6O6

>  <MolWeight> (573)
610.65966

>  <Item Name> (573)
Candesartan cilexetil (Atacand)

>  <Catalog Number> (573)
S2037

>  <Synonyms> (573)
Atacand, Amias, Blopress, Ratacand, TCV 116, TCY 116 

>  <Target> (573)
RAAS

>  <Form> (573)
Free Base

>  <URL> (573)
http://www.selleckchem.com/products/Candesartan-cilexetil-Atacand.html

>  <CAS Number> (573)
145040-37-5

$$$$
dextrose.cdx
csChFnd80/07171813082D

 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
    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
    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
  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
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  5 10  1  1  0  0  0
  6 11  1  1  0  0  0
  7 12  2  0  0  0  0
M  END
>  <Mol_ID> (574)
645

>  <Formula> (574)
C6H12O6

>  <MolWeight> (574)
180.15588

>  <Item Name> (574)
Dextrose (D-glucose)

>  <Catalog Number> (574)
S2123

>  <Synonyms> (574)
D-glucose, Grape sugar 

>  <Target> (574)
Others

>  <Form> (574)
Free Base

>  <URL> (574)
http://www.selleckchem.com/products/Dextrose(D-glucose).html

>  <CAS Number> (574)
50-99-7

$$$$
XYLO-PFAN (xylose).cdx
csChFnd80/07171813082D

 10  9  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  1  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
    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
  6  7  2  0  0  0  0
  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> (575)
646

>  <Formula> (575)
C5H10O5

>  <MolWeight> (575)
150.1299

>  <Item Name> (575)
Xylose

>  <Catalog Number> (575)
S2124

>  <Synonyms> (575)
N/A

>  <Target> (575)
Others

>  <Form> (575)
Free Base

>  <URL> (575)
http://www.selleckchem.com/products/Xylose.html

>  <CAS Number> (575)
25990-60-7

$$$$
mestranol.cdx
csChFnd80/07171813082D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8001    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7869    6.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    1.4125    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
  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  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  3  0  0  0  0
  9 22  1  1  0  0  0
 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> (576)
647

>  <Formula> (576)
C21H26O2

>  <MolWeight> (576)
310.42994

>  <Item Name> (576)
Mestranol

>  <Catalog Number> (576)
S2125

>  <Synonyms> (576)
N/A

>  <Target> (576)
NULL

>  <Form> (576)
Free Base

>  <URL> (576)
http://www.selleckchem.com/products/Mestranol.html

>  <CAS Number> (576)
72-33-3

$$$$
S-(+)-Rolipram.cdx
csChFnd80/07171813082D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.6538    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6538    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8663    1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0787    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0787    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8663    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4456    4.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4456    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2474    3.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    1.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018    1.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2869    1.6834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4333    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8027    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5027    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5659    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8902    1.3583    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
  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 10  1  0  0  0  0
 15  4  1  6  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 15  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (577)
649

>  <Formula> (577)
C16H21NO3

>  <MolWeight> (577)
275.34284

>  <Item Name> (577)
S-(+)-Rolipram

>  <Catalog Number> (577)
S2127

>  <Synonyms> (577)
N/A

>  <Target> (577)
PDE

>  <Form> (577)
Free Base

>  <URL> (577)
http://www.selleckchem.com/products/sRolipram.html

>  <CAS Number> (577)
85416-73-5

$$$$
Fudosteine.cdx
csChFnd80/07171813082D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  2  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
    1.2082    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 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  2  0  0  0  0
  2  6  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
M  END
>  <Mol_ID> (578)
650

>  <Formula> (578)
C6H13NO3S

>  <MolWeight> (578)
179.23732

>  <Item Name> (578)
Fudosteine

>  <Catalog Number> (578)
S2129

>  <Synonyms> (578)
N/A

>  <Target> (578)
Others

>  <Form> (578)
Free Base

>  <URL> (578)
http://www.selleckchem.com/products/Fudosteine.html

>  <CAS Number> (578)
13189-98-5

$$$$
Atropine sulfate monohydrate.cdx
csChFnd80/07171813082D

 52 54  0  0  0  0  0  0  0  0999 V2000
   14.8667    8.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667    8.5264    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.6667    8.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667    9.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667    7.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5599    3.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   13.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7404   13.7361    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0668   12.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0713   14.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7520   12.5772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7565   14.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7175   14.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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651

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C34H50N2O11S

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694.8326

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Atropine sulfate monohydrate

>  <Catalog Number> (579)
S2130

>  <Synonyms> (579)
Tropine 

>  <Target> (579)
AChR

>  <Form> (579)
Sulfate monohydrate

>  <URL> (579)
http://www.selleckchem.com/products/Atropine-sulfate-monohydrate.html

>  <CAS Number> (579)
5908-99-6

$$$$
Roflumilast.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (580)
652

>  <Formula> (580)
C17H14Cl2F2N2O3

>  <MolWeight> (580)
403.2074664

>  <Item Name> (580)
Roflumilast (Daxas)

>  <Catalog Number> (580)
S2131

>  <Synonyms> (580)
Daxas

>  <Target> (580)
PDE

>  <Form> (580)
Free Base

>  <URL> (580)
http://www.selleckchem.com/products/Roflumilast(Daxas).html

>  <CAS Number> (580)
162401-32-3

$$$$
E7080.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (581)
654

>  <Formula> (581)
C21H19ClN4O4

>  <MolWeight> (581)
426.85296

>  <Item Name> (581)
E7080 (Lenvatinib)

>  <Catalog Number> (581)
S1164 

>  <Synonyms> (581)
N/A

>  <Target> (581)
VEGFR

>  <Form> (581)
Free Base

>  <URL> (581)
http://www.selleckchem.com/products/E7080.html

>  <CAS Number> (581)
417716-92-8

$$$$
AZD8330.cdx
csChFnd80/07171813082D

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655

>  <Formula> (582)
C16H17FIN3O4

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461.2267532

>  <Item Name> (582)
AZD8330

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S2134

>  <Synonyms> (582)
N/A 

>  <Target> (582)
MEK

>  <Form> (582)
Free Base

>  <URL> (582)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

>  <CAS Number> (582)
869357-68-6

$$$$
Biotin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (583)
656

>  <Formula> (583)
C10H16N2O3S

>  <MolWeight> (583)
244.31064

>  <Item Name> (583)
Biotin (Vitamin B7)

>  <Catalog Number> (583)
S3130

>  <Synonyms> (583)
N/A

>  <Target> (583)
Vitamin

>  <Form> (583)
Free Base

>  <URL> (583)
http://www.selleckchem.com/products/biotin-vitamin-b7.html

>  <CAS Number> (583)
58-85-5

$$$$
Creatinine.cdx
csChFnd80/07171813082D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (584)
657

>  <Formula> (584)
C4H7N3O

>  <MolWeight> (584)
113.11788

>  <Item Name> (584)
Creatinine

>  <Catalog Number> (584)
S3102

>  <Synonyms> (584)
N/A 

>  <Target> (584)
Others

>  <Form> (584)
Free Base

>  <URL> (584)
http://www.selleckchem.com/products/creatinine.html

>  <CAS Number> (584)
60-27-5

$$$$
Dexamethasone acetate.cdx
csChFnd80/07171813082D

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    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 32  1  6  0  0  0
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M  END
>  <Mol_ID> (585)
658

>  <Formula> (585)
C24H31FO6

>  <MolWeight> (585)
434.4977432

>  <Item Name> (585)
Dexamethasone acetate

>  <Catalog Number> (585)
S3124

>  <Synonyms> (585)
N/A

>  <Target> (585)
IL Receptor,Autophagy

>  <Form> (585)
Free Base

>  <URL> (585)
http://www.selleckchem.com/products/dexamethasone-acetate.html

>  <CAS Number> (585)
1177-87-3

$$$$
Ethynodiol diacetate.cdx
csChFnd80/07171813082D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (586)
660

>  <Formula> (586)
C24H32O4

>  <MolWeight> (586)
384.50848

>  <Item Name> (586)
Ethynodiol diacetate

>  <Catalog Number> (586)
S3160

>  <Synonyms> (586)
N/A 

>  <Target> (586)
Estrogen/progestogen Receptor

>  <Form> (586)
Free Base

>  <URL> (586)
http://www.selleckchem.com/products/ethynodiol-diacetate.html

>  <CAS Number> (586)
297-76-7

$$$$
Atomoxetine hydrochloride.cdx
csChFnd80/07171813082D

 20 20  0  0  0  0  0  0  0  0999 V2000
    6.3000    0.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (587)
661

>  <Formula> (587)
C17H22ClNO

>  <MolWeight> (587)
291.81568

>  <Item Name> (587)
Atomoxetine HCl

>  <Catalog Number> (587)
S3175

>  <Synonyms> (587)
N/A 

>  <Target> (587)
5-HT Receptor

>  <Form> (587)
hydrochloride

>  <URL> (587)
http://www.selleckchem.com/products/atomoxetine-hydrochloride.html

>  <CAS Number> (587)
82248-59-7

$$$$
BRL54443.cdx
csChFnd80/07171813082D

 17 19  0  0  0  0  0  0  0  0999 V2000
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5-HT Receptor

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Free Base

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http://www.selleckchem.com/products/brl-54443.html

>  <CAS Number> (588)
57477-39-1

$$$$
GSK 1292263.cdx
csChFnd80/07171813082D

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663

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GPR 

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Free Base

>  <URL> (589)
http://www.selleckchem.com/products/GSK1292263.html

>  <CAS Number> (589)
1032823-75-8

$$$$
Neratinib.cdx
csChFnd80/07171813082D

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C30H29ClN6O3

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Neratinib (HKI-272)

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S2150

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N/A 

>  <Target> (590)
HER2, EGFR

>  <Form> (590)
Free Base

>  <URL> (590)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

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698387-09-6

$$$$
Methenamine.cdx
csChFnd80/07171813082D

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Antifection

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Free Base

>  <URL> (591)
http://www.selleckchem.com/products/methenamine-mandelamine.html

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100-97-0 

$$$$
Moguisteine.cdx
csChFnd80/07171813082D

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666

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C16H21NO5S

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>  <Item Name> (592)
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>  <Target> (592)
Others

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Free Base

>  <URL> (592)
http://www.selleckchem.com/products/moguisteine.html

>  <CAS Number> (592)
119637-67-1

$$$$
Nadifloxacin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (593)
667

>  <Formula> (593)
C19H21FN2O4

>  <MolWeight> (593)
360.3794432

>  <Item Name> (593)
Nadifloxacin

>  <Catalog Number> (593)
S3105

>  <Synonyms> (593)
Nadixa 

>  <Target> (593)
Antifection

>  <Form> (593)
Free Base

>  <URL> (593)
http://www.selleckchem.com/products/nadifloxacin.html

>  <CAS Number> (593)
124858-35-1

$$$$
Amitriptyline hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (594)
668

>  <Formula> (594)
C20H24ClN

>  <MolWeight> (594)
313.86426

>  <Item Name> (594)
Amitriptyline HCl 

>  <Catalog Number> (594)
S3183

>  <Synonyms> (594)
N/A 

>  <Target> (594)
5-HT Receptor

>  <Form> (594)
hydrochloride

>  <URL> (594)
http://www.selleckchem.com/products/amitriptyline-hydrochloride.html

>  <CAS Number> (594)
549-18-8

$$$$
LDE225.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (595)
669

>  <Formula> (595)
C26H26F3N3O3

>  <MolWeight> (595)
485.4981496

>  <Item Name> (595)
LDE225 (NVP-LDE225, Erismodegib)

>  <Catalog Number> (595)
S2151

>  <Synonyms> (595)
N/A 

>  <Target> (595)
Smoothened

>  <Form> (595)
Free Base

>  <URL> (595)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

>  <CAS Number> (595)
956697-53-3

$$$$
Dabigatran etexilate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (596)
670

>  <Formula> (596)
C34H41N7O5

>  <MolWeight> (596)
627.73324

>  <Item Name> (596)
BIBR-1048 (Dabigatran)

>  <Catalog Number> (596)
S2154

>  <Synonyms> (596)
N/A 

>  <Target> (596)
Thrombin

>  <Form> (596)
Free Base

>  <URL> (596)
http://www.selleckchem.com/products/BIBR-1048(Dabigatran-etexilate).html

>  <CAS Number> (596)
211915-06-9

$$$$
KW2449.cdx
csChFnd80/07171813082D

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Flt, Bcr-Abl, Aurora Kinase

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Free Base

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http://www.selleckchem.com/products/KW-2449.html

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1000669-72-6

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Tebipenem pivoxil.cdx
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672

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C22H31N3O6S2

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>  <Item Name> (598)
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S2159

>  <Synonyms> (598)
L-084, TBPM-PI, ME1211 

>  <Target> (598)
Antifection

>  <Form> (598)
Free Base

>  <URL> (598)
http://www.selleckchem.com/products/Tebipenem-pivoxil(L-084).html

>  <CAS Number> (598)
161715-24-8

$$$$
raf265.cdx
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>  <Target> (599)
Raf, VEGFR

>  <Form> (599)
Free Base

>  <URL> (599)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

>  <CAS Number> (599)
927880-90-8

$$$$

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>  <Mol_ID> (600)
674

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C24H30ClN3O5

>  <MolWeight> (600)
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ITF2357 (Givinostat)

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S2170

>  <Synonyms> (600)
N/A 

>  <Target> (600)
HDAC 

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Chloride

>  <URL> (600)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (600)
732302-99-7

$$$$
Daphnetin.cdx
csChFnd80/07171813082D

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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  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (601)
675

>  <Formula> (601)
C9H6O4

>  <MolWeight> (601)
178.14154

>  <Item Name> (601)
Daphnetin

>  <Catalog Number> (601)
S2554 

>  <Synonyms> (601)
N/A 

>  <Target> (601)
DNA/RNA Synthesis

>  <Form> (601)
Free Base

>  <URL> (601)
http://www.selleckchem.com/products/Daphnetin.html

>  <CAS Number> (601)
486-35-1

$$$$
Cyclophosphamide monohydrate.cdx
csChFnd80/07171813082D

 15 14  0  0  0  0  0  0  0  0999 V2000
    5.8958    2.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    4.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0247    6.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8123    7.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5999    6.4308    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9859    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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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (602)
676

>  <Formula> (602)
C7H17Cl2N2O3P

>  <MolWeight> (602)
279.101241

>  <Item Name> (602)
Cyclophosphamide monohydrate

>  <Catalog Number> (602)
S2057

>  <Synonyms> (602)
N/A

>  <Target> (602)
DNA alkylator

>  <Form> (602)
Monohydrate

>  <URL> (602)
http://www.selleckchem.com/products/cyclophosphamide-monohydrate.html

>  <CAS Number> (602)
6055-19-2

$$$$
AG14361.cdx
csChFnd80/07171813082D

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.7536    3.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7536    2.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (603)
678

>  <Formula> (603)
C19H20N4O

>  <MolWeight> (603)
320.3883

>  <Item Name> (603)
AG14361

>  <Catalog Number> (603)
S2178

>  <Synonyms> (603)
N/A

>  <Target> (603)
PARP

>  <Form> (603)
Free Base

>  <URL> (603)
http://www.selleckchem.com/products/AG14361.html

>  <CAS Number> (603)
328543-09-5

$$$$
LY2784544.cdx
csChFnd80/07171813082D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.0197    7.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (604)
679

>  <Formula> (604)
C23H25ClFN7O

>  <MolWeight> (604)
469.9423032

>  <Item Name> (604)
Gandotinib (LY2784544)

>  <Catalog Number> (604)
S2179

>  <Synonyms> (604)
N/A

>  <Target> (604)
JAK 

>  <Form> (604)
Free Base

>  <URL> (604)
http://www.selleckchem.com/products/LY2784544.html

>  <CAS Number> (604)
1229236-86-5

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/07171813082D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.0577    6.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (605)
681

>  <Formula> (605)
C19H19ClN2

>  <MolWeight> (605)
310.82056

>  <Item Name> (605)
Desloratadine 

>  <Catalog Number> (605)
S4012

>  <Synonyms> (605)
N/A

>  <Target> (605)
Histamine Receptor

>  <Form> (605)
Free Base

>  <URL> (605)
http://www.selleckchem.com/products/desloratadine.html

>  <CAS Number> (605)
100643-71-8

$$$$
Ornidazole.cdx
csChFnd80/07171813082D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4116    5.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (606)
682

>  <Formula> (606)
C7H10ClN3O3

>  <MolWeight> (606)
219.6256

>  <Item Name> (606)
Ornidazole

>  <Catalog Number> (606)
S3121

>  <Synonyms> (606)
N/A 

>  <Target> (606)
Antifection

>  <Form> (606)
Free Base

>  <URL> (606)
http://www.selleckchem.com/products/ornidazole.html

>  <CAS Number> (606)
16773-42-5

$$$$
Oxybutynin chloride.cdx
csChFnd80/07171813082D

 27 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (607)
683

>  <Formula> (607)
C22H32ClNO3

>  <MolWeight> (607)
393.94738

>  <Item Name> (607)
Oxybutynin chloride

>  <Catalog Number> (607)
S3117

>  <Synonyms> (607)
N/A 

>  <Target> (607)
AChR

>  <Form> (607)
Chloride

>  <URL> (607)
http://www.selleckchem.com/products/oxybutynin-chloride.html

>  <CAS Number> (607)
1508-65-2

$$$$
MLN9708.cdx
csChFnd80/07171813082D

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4333    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (608)
684

>  <Formula> (608)
C20H23BCl2N2O9

>  <MolWeight> (608)
517.12162

>  <Item Name> (608)
Ixazomib Citrate (MLN9708)

>  <Catalog Number> (608)
S2181

>  <Synonyms> (608)
N/A

>  <Target> (608)
Proteasome

>  <Form> (608)
Free Base

>  <URL> (608)
http://www.selleckchem.com/products/MLN9708.html

>  <CAS Number> (608)
1201902-80-8

$$$$
SB743921.cdx
csChFnd80/07171813082D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (609)
685

>  <Formula> (609)
C31H34Cl2N2O3

>  <MolWeight> (609)
553.51926

>  <Item Name> (609)
SB743921 HCl

>  <Catalog Number> (609)
S2182 

>  <Synonyms> (609)
N/A

>  <Target> (609)
Kinesin

>  <Form> (609)
Hydrochloride

>  <URL> (609)
http://www.selleckchem.com/products/SB-743921.html

>  <CAS Number> (609)
940929-33-9

$$$$
ivermectin.cdx
csChFnd80/07171813082D

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166518-60-1 

$$$$
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697

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C23H15ClF2N4O3

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468.8400064

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S2201

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BMS794833

>  <Target> (618)
c-Met, VEGFR

>  <Form> (618)
Free Base

>  <URL> (618)
http://www.selleckchem.com/products/BMS-794833.html

>  <CAS Number> (618)
1174046-72-0

$$$$
NVP-BHG712.cdx
csChFnd80/07171813082D

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698

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C26H20F3N7O

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503.4785096

>  <Item Name> (619)
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S2202

>  <Synonyms> (619)
N/A

>  <Target> (619)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (619)
Free Base

>  <URL> (619)
http://www.selleckchem.com/products/NVP-BHG712.html

>  <CAS Number> (619)
940310-85-0

$$$$
OSI 420.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (620)
699

>  <Formula> (620)
C21H22ClN3O4

>  <MolWeight> (620)
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>  <Item Name> (620)
OSI-420 (Desmethyl Erlotinib)

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S2205

>  <Synonyms> (620)
CP-473420 

>  <Target> (620)
EGFR

>  <Form> (620)
Hydrochloride

>  <URL> (620)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

>  <CAS Number> (620)
183320-51-6

$$$$
PIK 293.cdx
csChFnd80/07171813082D

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PI3K

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>  <CAS Number> (621)
900185-01-5 

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566-48-3

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N/A 

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Syk

>  <Form> (623)
Sodium Salt

>  <URL> (623)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

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1025687-58-4

$$$$
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JAK

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Free Base

>  <URL> (624)
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905586-69-8

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Gamma-secretase, Beta Amyloid

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csChFnd80/07171813082D

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  2  7  1  0  0  0  0
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 33 34  2  0  0  0  0
 34 30  1  0  0  0  0
M  END
>  <Mol_ID> (626)
706

>  <Formula> (626)
C25H23F3N4O2

>  <MolWeight> (626)
468.4709296

>  <Item Name> (626)
Mubritinib (TAK 165)

>  <Catalog Number> (626)
S2216

>  <Synonyms> (626)
TAK 165, TAK165

>  <Target> (626)
HER2

>  <Form> (626)
Free Base

>  <URL> (626)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

>  <CAS Number> (626)
366017-09-6

$$$$
irinotecan.cdx
csChFnd80/07171813082D

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 35 42  1  1  0  0  0
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M  END
>  <Mol_ID> (627)
707

>  <Formula> (627)
C33H45ClN4O9

>  <MolWeight> (627)
677.1848

>  <Item Name> (627)
Irinotecan HCl Trihydrate (Campto)

>  <Catalog Number> (627)
S2217 

>  <Synonyms> (627)
CPT 11, Camptosar, Campto, Irinotecan 

>  <Target> (627)
Topoisomerase

>  <Form> (627)
HCl & trihydrat

>  <URL> (627)
http://www.selleckchem.com/products/Irinotecan-Hcl-Trihydrate-Campto.html

>  <CAS Number> (627)
136572-09-3

$$$$
PP442.cdx
csChFnd80/07171813082D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2539    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> (628)
708

>  <Formula> (628)
C16H16N6O

>  <MolWeight> (628)
308.33784

>  <Item Name> (628)
Torkinib (PP242)

>  <Catalog Number> (628)
S2218

>  <Synonyms> (628)
TORKinib 

>  <Target> (628)
mTOR

>  <Form> (628)
Free Base

>  <URL> (628)
http://www.selleckchem.com/products/PP242.html

>  <CAS Number> (628)
1092351-67-1

$$$$
CYT 387.cdx
csChFnd80/07171813082D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (629)
709

>  <Formula> (629)
C23H22N6O2

>  <MolWeight> (629)
414.45978

>  <Item Name> (629)
Momelotinib (CYT387)

>  <Catalog Number> (629)
S2219

>  <Synonyms> (629)
CYT 11387 

>  <Target> (629)
JAK 

>  <Form> (629)
Free Base

>  <URL> (629)
http://www.selleckchem.com/products/Cyt387.html

>  <CAS Number> (629)
1056634-68-4

$$$$
SB 590885.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (630)
710

>  <Formula> (630)
C27H27N5O2

>  <MolWeight> (630)
453.53558

>  <Item Name> (630)
SB590885

>  <Catalog Number> (630)
S2220

>  <Synonyms> (630)
GSK2118436 

>  <Target> (630)
Raf

>  <Form> (630)
Free Base

>  <URL> (630)
http://www.selleckchem.com/products/SB590885.html

>  <CAS Number> (630)
405554-55-4 

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/07171813082D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    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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 18 12  1  0  0  0  0
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M  END
>  <Mol_ID> (631)
712

>  <Formula> (631)
C22H18O11

>  <MolWeight> (631)
458.37172

>  <Item Name> (631)
(-)-Epigallocatechin gallate

>  <Catalog Number> (631)
S2250

>  <Synonyms> (631)
EGCG

>  <Target> (631)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (631)
Free Base

>  <URL> (631)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

>  <CAS Number> (631)
989-51-5

$$$$
(-)-Huperzine A.cdx
csChFnd80/07171813082D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2889    4.2854    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
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  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
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 10  5  1  0  0  0  0
  3 13  1  6  0  0  0
  5 14  1  1  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 18  9  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (632)
713

>  <Formula> (632)
C15H18N2O

>  <MolWeight> (632)
242.31622

>  <Item Name> (632)
(-)-Huperzine A (HupA)

>  <Catalog Number> (632)
S2251

>  <Synonyms> (632)
N/A

>  <Target> (632)
AChR & GluR

>  <Form> (632)
Free Base

>  <URL> (632)
http://www.selleckchem.com/products/(-)-Huperzine-A.html

>  <CAS Number> (632)
102518-79-6

$$$$
(+)-Usniacin.cdx
csChFnd80/07171813082D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  2  0  0  0  0
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  2 10  2  0  0  0  0
  6 11  1  0  0  0  0
  4 12  1  0  0  0  0
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 14  5  1  0  0  0  0
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 15 22  1  0  0  0  0
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M  END
>  <Mol_ID> (633)
714

>  <Formula> (633)
C18H16O7

>  <MolWeight> (633)
344.31544

>  <Item Name> (633)
(+)-Usniacin (D-Usnic acid)

>  <Catalog Number> (633)
S2252

>  <Synonyms> (633)
D-Usnic acid

>  <Target> (633)
Others

>  <Form> (633)
Free Base

>  <URL> (633)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

>  <CAS Number> (633)
7562-61-0

$$$$
3-Indolebutyric acid.cdx
csChFnd80/07171813082D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.7000    2.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000    1.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (634)
715

>  <Formula> (634)
C12H13NO2

>  <MolWeight> (634)
203.23712

>  <Item Name> (634)
3-Indolebutyric acid (IBA)

>  <Catalog Number> (634)
S2253

>  <Synonyms> (634)
IBA

>  <Target> (634)
Others

>  <Form> (634)
Free Base

>  <URL> (634)
http://www.selleckchem.com/products/3-Indolebutyric-acid(IBA).html

>  <CAS Number> (634)
133-32-4

$$$$
4-Methylumbelliferone.cdx
csChFnd80/07171813082D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    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  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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  7 13  1  0  0  0  0
M  END
>  <Mol_ID> (635)
716

>  <Formula> (635)
C10H8O3

>  <MolWeight> (635)
176.16872

>  <Item Name> (635)
4-Methylumbelliferone (4-MU)

>  <Catalog Number> (635)
S2256

>  <Synonyms> (635)
4-MU

>  <Target> (635)
Others

>  <Form> (635)
Free Base

>  <URL> (635)
http://www.selleckchem.com/products/4-Methylumbelliferone(4-MU).html

>  <CAS Number> (635)
90-33-5

$$$$
AESCULIN.cdx
csChFnd80/07171813082D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.6289    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (636)
717

>  <Formula> (636)
C15H16O9

>  <MolWeight> (636)
340.28214

>  <Item Name> (636)
Aesculin (Esculin)

>  <Catalog Number> (636)
S2258

>  <Synonyms> (636)
Esculin

>  <Target> (636)
Others

>  <Form> (636)
Free Base

>  <URL> (636)
http://www.selleckchem.com/products/Aesculin(Esculin).html

>  <CAS Number> (636)
531-75-9

$$$$
Amygdalin.cdx
csChFnd80/07171813082D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2082   10.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4207    8.3927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000   11.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 24  1  0  0  0  0
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M  END
>  <Mol_ID> (637)
718

>  <Formula> (637)
C20H27NO11

>  <MolWeight> (637)
457.42848

>  <Item Name> (637)
Amygdalin

>  <Catalog Number> (637)
S2260

>  <Synonyms> (637)
N/A

>  <Target> (637)
Others

>  <Form> (637)
Free Base

>  <URL> (637)
http://www.selleckchem.com/products/Amygdalin.html

>  <CAS Number> (637)
29883-15-6

$$$$
Andrographolide.cdx
csChFnd80/07171813082D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.0523    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (638)
719

>  <Formula> (638)
C20H30O5

>  <MolWeight> (638)
350.4492

>  <Item Name> (638)
Andrographolide

>  <Catalog Number> (638)
S2261

>  <Synonyms> (638)
N/A

>  <Target> (638)
NF-¦ÊB

>  <Form> (638)
Free Base

>  <URL> (638)
http://www.selleckchem.com/products/Andrographolide.html

>  <CAS Number> (638)
5508-58-7

$$$$
Apigenin.cdx
csChFnd80/07171813082D

 20 22  0  0  0  0  0  0  0  0999 V2000
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720

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C15H10O5

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270.2369

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Apigenin

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S2262

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N/A

>  <Target> (639)
P450

>  <Form> (639)
Free Base

>  <URL> (639)
http://www.selleckchem.com/products/Apigenin.html

>  <CAS Number> (639)
520-36-5

$$$$
Arbutin.cdx
csChFnd80/07171813082D

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>  <Formula> (640)
C12H16O7

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Arbutin (Uva, p-Arbutin)

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S2263

>  <Synonyms> (640)
Uva, Ursi, p-Arbutin, Hydroquinone ¦Â-D-glucopyranoside 

>  <Target> (640)
Estrogen/progestogen Receptor

>  <Form> (640)
Free Base

>  <URL> (640)
http://www.selleckchem.com/products/Arbutin(Uva,-p-Arbutin).html

>  <CAS Number> (640)
497-76-7

$$$$
Ipriflavone.cdx
csChFnd80/07171813082D

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722

>  <Formula> (641)
C18H16O3

>  <MolWeight> (641)
280.31784

>  <Item Name> (641)
Ipriflavone

>  <Catalog Number> (641)
S2422 

>  <Synonyms> (641)
N/A 

>  <Target> (641)
Others

>  <Form> (641)
Free Base

>  <URL> (641)
http://www.selleckchem.com/products/ipriflavone.html

>  <CAS Number> (641)
35212-22-7

$$$$
Asiatic acid.cdx
csChFnd80/07171813082D

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723

>  <Formula> (642)
C30H48O5

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>  <Item Name> (642)
Asiatic acid

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S2266

>  <Synonyms> (642)
N/A

>  <Target> (642)
p38 MAPK

>  <Form> (642)
Free Base

>  <URL> (642)
http://www.selleckchem.com/products/Asiatic-acid.html

>  <CAS Number> (642)
464-92-6

$$$$
Baicalein.cdx
csChFnd80/07171813082D

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>  <Formula> (643)
C15H10O5

>  <MolWeight> (643)
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>  <Item Name> (643)
Baicalein

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S2268

>  <Synonyms> (643)
N/A

>  <Target> (643)
P450

>  <Form> (643)
Free Base

>  <URL> (643)
http://www.selleckchem.com/products/Baicalein.html

>  <CAS Number> (643)
491-67-8

$$$$
MPEP.cdx
csChFnd80/07171813082D

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725

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C14H11N

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>  <Synonyms> (644)
N/A 

>  <Target> (644)
GluR

>  <Form> (644)
Free Base

>  <URL> (644)
http://www.selleckchem.com/products/mpep.html

>  <CAS Number> (644)
96206-92-7

$$$$
PNU200577.cdx
csChFnd80/07171813082D

 25 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (645)
726

>  <Formula> (645)
C22H31NO2

>  <MolWeight> (645)
341.48704

>  <Item Name> (645)
5-hydroxymethyl tolterodine (PNU 200577)

>  <Catalog Number> (645)
S2659 

>  <Synonyms> (645)
N/A

>  <Target> (645)
AChR 

>  <Form> (645)
Free Base

>  <URL> (645)
http://www.selleckchem.com/products/5-hydroxymethyl-tolterodine-pnu-200577.html

>  <CAS Number> (645)
207679-81-0

$$$$
Baicalin.cdx
csChFnd80/07171813082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (646)
727

>  <Formula> (646)
C21H18O11

>  <MolWeight> (646)
446.36102

>  <Item Name> (646)
Baicalin

>  <Catalog Number> (646)
S2269

>  <Synonyms> (646)
N/A

>  <Target> (646)
GABA Receptor

>  <Form> (646)
Free Base

>  <URL> (646)
http://www.selleckchem.com/products/Baicalin.html

>  <CAS Number> (646)
21967-41-9

$$$$
VX 765.cdx
csChFnd80/07171813082D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (647)
729

>  <Formula> (647)
C24H33ClN4O6

>  <MolWeight> (647)
508.99502

>  <Item Name> (647)
Belnacasan (VX-765)

>  <Catalog Number> (647)
S2228

>  <Synonyms> (647)
N/A

>  <Target> (647)
Caspase

>  <Form> (647)
Free Base

>  <URL> (647)
http://www.selleckchem.com/products/VX-765.html

>  <CAS Number> (647)
273404-37-8

$$$$
Bengenin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (648)
730

>  <Formula> (648)
C14H16O9

>  <MolWeight> (648)
328.27144

>  <Item Name> (648)
Bergenin (Cuscutin)

>  <Catalog Number> (648)
S2270

>  <Synonyms> (648)
Cuscutin

>  <Target> (648)
Others

>  <Form> (648)
Free Base

>  <URL> (648)
http://www.selleckchem.com/products/Bergenin-(Cuscutin).html

>  <CAS Number> (648)
477-90-7

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (649)
731

>  <Formula> (649)
C20H18ClNO4

>  <MolWeight> (649)
371.81422

>  <Item Name> (649)
Berberine chloride

>  <Catalog Number> (649)
S2271

>  <Synonyms> (649)
N/A

>  <Target> (649)
Antifection

>  <Form> (649)
chloride

>  <URL> (649)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

>  <CAS Number> (649)
633-65-8

$$$$
Bilobalide.cdx
csChFnd80/07171813082D

 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
    3.1595    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4247    2.0832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1247    2.5918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2574    3.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (650)
733

>  <Formula> (650)
C15H18O8

>  <MolWeight> (650)
326.29862

>  <Item Name> (650)
Bilobalide

>  <Catalog Number> (650)
S2276

>  <Synonyms> (650)
N/A

>  <Target> (650)
Others

>  <Form> (650)
Free Base

>  <URL> (650)
http://www.selleckchem.com/products/Bilobalide.html

>  <CAS Number> (650)
33570-04-6

$$$$
Caffeic acid.cdx
csChFnd80/07171813082D

 13 13  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
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  3  8  1  0  0  0  0
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  9 10  2  0  0  0  0
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 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (651)
734

>  <Formula> (651)
C9H8O4

>  <MolWeight> (651)
180.15742

>  <Item Name> (651)
Caffeic acid

>  <Catalog Number> (651)
S2277

>  <Synonyms> (651)
N/A

>  <Target> (651)
Others

>  <Form> (651)
Free Base

>  <URL> (651)
http://www.selleckchem.com/products/Caffeic-acid.html

>  <CAS Number> (651)
331-39-5

$$$$
Chlorogenic acid.cdx
csChFnd80/07171813082D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (652)
735

>  <Formula> (652)
C16H18O9

>  <MolWeight> (652)
354.30872

>  <Item Name> (652)
Chlorogenic acid

>  <Catalog Number> (652)
S2280

>  <Synonyms> (652)
N/A

>  <Target> (652)
Others

>  <Form> (652)
Free Base

>  <URL> (652)
http://www.selleckchem.com/products/Chlorogenic-acid.html

>  <CAS Number> (652)
327-97-9

$$$$
Chrysin.cdx
csChFnd80/07171813082D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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 10  4  1  0  0  0  0
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 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (653)
736

>  <Formula> (653)
C15H10O4

>  <MolWeight> (653)
254.2375

>  <Item Name> (653)
Chrysin

>  <Catalog Number> (653)
S2281

>  <Synonyms> (653)
N/A

>  <Target> (653)
Others

>  <Form> (653)
Free Base

>  <URL> (653)
http://www.selleckchem.com/products/Chrysin.html

>  <CAS Number> (653)
480-40-0

$$$$
Cinchonidine.cdx
csChFnd80/07171813082D

 24 27  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
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M  END
>  <Mol_ID> (654)
737

>  <Formula> (654)
C19H22N2O

>  <MolWeight> (654)
294.39078

>  <Item Name> (654)
Cinchonidine

>  <Catalog Number> (654)
S2282

>  <Synonyms> (654)
N/A

>  <Target> (654)
Antifection

>  <Form> (654)
Free Base

>  <URL> (654)
http://www.selleckchem.com/products/Cinchonidine.html

>  <CAS Number> (654)
485-71-2

$$$$
Cryptotanshinone.cdx
csChFnd80/07171813082D

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 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (655)
738

>  <Formula> (655)
C19H20O3

>  <MolWeight> (655)
296.3603

>  <Item Name> (655)
Cryptotanshinone

>  <Catalog Number> (655)
S2285 

>  <Synonyms> (655)
N/A

>  <Target> (655)
STAT

>  <Form> (655)
Free Base

>  <URL> (655)
http://www.selleckchem.com/products/Cryptotanshinone.html

>  <CAS Number> (655)
35825-57-1

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/07171813082D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (656)
739

>  <Formula> (656)
C20H25ClN2O5

>  <MolWeight> (656)
408.8759

>  <Item Name> (656)
Amlodipine (Norvasc)

>  <Catalog Number> (656)
S1905

>  <Synonyms> (656)
Istin, Norvasc, Caduet

>  <Target> (656)
Calcium Channel

>  <Form> (656)
Free Base

>  <URL> (656)
http://www.selleckchem.com/products/Amlodipine(Norvasc).html

>  <CAS Number> (656)
88150-42-9

$$$$
Cyclosporin A.cdx
csChFnd80/07171813082D

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 57 73  1  0  0  0  0
 58 74  2  0  0  0  0
 67 75  1  0  0  0  0
 67 76  1  0  0  0  0
 71 77  1  0  0  0  0
 61 78  2  0  0  0  0
 68 79  1  0  0  0  0
 79 80  1  0  0  0  0
 79 81  1  0  0  0  0
 63 82  1  0  0  0  0
 82 22  1  0  0  0  0
 82 83  2  0  0  0  0
 63 84  1  0  0  0  0
 44 85  1  1  0  0  0
M  END
>  <Mol_ID> (657)
740

>  <Formula> (657)
C62H111N11O12

>  <MolWeight> (657)
1202.61124

>  <Item Name> (657)
Cyclosporin A

>  <Catalog Number> (657)
S2286

>  <Synonyms> (657)
Cyclosporine A

>  <Target> (657)
phosphatase

>  <Form> (657)
Free Base

>  <URL> (657)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

>  <CAS Number> (657)
59865-13-3

$$$$
Cytisine.cdx
csChFnd80/07171813082D

 14 16  0  0  0  0  0  0  0  0999 V2000
    3.3799    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8048    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8048    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899    4.4851    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9899    4.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 N   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
    0.9899    1.1052    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3899    1.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4048    2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  2  1  0  0  0  0
  3 13  2  0  0  0  0
  7 14  1  1  0  0  0
 11 14  1  1  0  0  0
M  END
>  <Mol_ID> (658)
741

>  <Formula> (658)
C11H14N2O

>  <MolWeight> (658)
190.24166

>  <Item Name> (658)
Cytisine

>  <Catalog Number> (658)
S2287

>  <Synonyms> (658)
Baphitoxine,Sophorine

>  <Target> (658)
AChR

>  <Form> (658)
Free Base

>  <URL> (658)
http://www.selleckchem.com/products/Cytisine(Baphitoxine,-Sophorine).html

>  <CAS Number> (658)
485-35-8 

$$$$
dihydroartemisinin.cdx
csChFnd80/07171813082D

 23 26  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  2  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8843    3.6338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4918    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8843    6.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194    6.4680    0.0000 C   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
    2.4249    6.9951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8869    4.8951    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    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    2.5052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    5.1851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2793    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  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  5  1  0  0  0  0
  6 15  1  1  0  0  0
  5 16  1  1  0  0  0
 12 17  1  1  0  0  0
  8 18  1  1  0  0  0
  3 19  1  1  0  0  0
  7 20  1  6  0  0  0
 10 21  1  6  0  0  0
  4 22  1  1  0  0  0
 12 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (659)
742

>  <Formula> (659)
C15H24O5

>  <MolWeight> (659)
284.34806

>  <Item Name> (659)
Dihydroartemisinin (DHA)

>  <Catalog Number> (659)
S2290

>  <Synonyms> (659)
N/A 

>  <Target> (659)
Others

>  <Form> (659)
Free Base

>  <URL> (659)
http://www.selleckchem.com/products/Dihydroartemisinin(DHA).html

>  <CAS Number> (659)
71939-50-9

$$$$
Diosmin.cdx
csChFnd80/07171813082D

 43 47  0  0  0  0  0  0  0  0999 V2000
    1.2082   11.8830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082   10.4830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    9.7830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   11.8830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207   12.5830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   12.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   13.9781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4976    0.0000 O   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
    3.6289    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    7.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    7.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9488    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9488    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
  6  1  1  0  0  0  0
  1  7  1  6  0  0  0
  2  8  1  6  0  0  0
  5  9  1  6  0  0  0
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  3 11  1  1  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
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 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
 15 19  1  1  0  0  0
 17 20  1  1  0  0  0
 14 21  1  6  0  0  0
 16 22  1  6  0  0  0
 20 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 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  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 26  1  0  0  0  0
 27 33  1  0  0  0  0
 32 34  2  0  0  0  0
 30 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
 37 41  1  0  0  0  0
 38 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <Mol_ID> (660)
744

>  <Formula> (660)
C28H32O15

>  <MolWeight> (660)
608.54468

>  <Item Name> (660)
Diosmin

>  <Catalog Number> (660)
S2292

>  <Synonyms> (660)
N/A

>  <Target> (660)
Others

>  <Form> (660)
Free Base

>  <URL> (660)
http://www.selleckchem.com/products/Diosmin.html

>  <CAS Number> (660)
520-27-4

$$$$
DL-Carnitine hydrochloride.cdx
csChFnd80/07171813082D

 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
    2.4207    2.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.9313    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6331    4.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  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
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (661)
745

>  <Formula> (661)
C7H16ClNO3

>  <MolWeight> (661)
197.65984

>  <Item Name> (661)
DL-Carnitine hydrochloride

>  <Catalog Number> (661)
S2293

>  <Synonyms> (661)
N/A

>  <Target> (661)
Others

>  <Form> (661)
Hydrochloride

>  <URL> (661)
http://www.selleckchem.com/products/DL-Carnitine-hydrochloride.html

>  <CAS Number> (661)
461-05-2

$$$$
Emodin.cdx
csChFnd80/07171813082D

 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
    3.6331    2.0951    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
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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    5.5903    0.0000 O   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
    4.8455    5.5903    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
    7.2704    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    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  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  4 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  5  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  6 17  2  0  0  0  0
  3 18  2  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (662)
747

>  <Formula> (662)
C15H10O5

>  <MolWeight> (662)
270.2369

>  <Item Name> (662)
Emodin

>  <Catalog Number> (662)
S2295

>  <Synonyms> (662)
N/A

>  <Target> (662)
Dehydrogenase

>  <Form> (662)
Free Base

>  <URL> (662)
http://www.selleckchem.com/products/Emodin.html

>  <CAS Number> (662)
518-82-1

$$$$
Enoxolone.cdx
csChFnd80/07171813082D

 38 42  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  1  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  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
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    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
    9.6953    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  1  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  2  0  0  0  0  0  0  0  0  0
    8.4828    7.6951    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9951    0.0000 H   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
    0.2183    3.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7053    9.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852    9.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8977    8.6851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852   10.7851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  2 23  1  1  0  0  0
  3 24  1  0  0  0  0
  5 25  1  1  0  0  0
  9 26  1  1  0  0  0
 18 27  1  1  0  0  0
 17 28  1  1  0  0  0
  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
 21 34  1  6  0  0  0
 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> (663)
748

>  <Formula> (663)
C30H46O4

>  <MolWeight> (663)
470.68384

>  <Item Name> (663)
Enoxolone (Glycyrrhetin)

>  <Catalog Number> (663)
S2296

>  <Synonyms> (663)
Glycyrrhetin, Uralenic acid 

>  <Target> (663)
Dehydrogenase

>  <Form> (663)
Free Base

>  <URL> (663)
http://www.selleckchem.com/products/Enoxolone(Glycyrrhetin).html

>  <CAS Number> (663)
471-53-4

$$$$
10-Hydroxycamptothecin.cdx
csChFnd80/07171813082D

 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
    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 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
    7.3894    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6047    1.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1741    2.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3512    3.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9589    3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5664    2.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1359    4.2506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3130    5.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9206    5.2369    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
   10.4247    0.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8804    6.6578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5683    5.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2073    6.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9206    6.6369    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
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 12 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
 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
  2 22  1  0  0  0  0
 14 23  2  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 27  1  6  0  0  0
M  END
>  <Mol_ID> (664)
750

>  <Formula> (664)
C20H16N2O5

>  <MolWeight> (664)
364.35144

>  <Item Name> (664)
10-Hydroxycamptothecin

>  <Catalog Number> (664)
S2423 

>  <Synonyms> (664)
N/A 

>  <Target> (664)
Topoisomerase

>  <Form> (664)
Free Base

>  <URL> (664)
http://www.selleckchem.com/products/10-hydroxycamptothecin.html

>  <CAS Number> (664)
19685-09-7

$$$$
Fisetin.cdx
csChFnd80/07171813082D

 21 23  0  0  0  0  0  0  0  0999 V2000
    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
    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
    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
    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
   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
  1  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  2  1  0  0  0  0
  4 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
 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
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (665)
751

>  <Formula> (665)
C15H10O6

>  <MolWeight> (665)
286.2363

>  <Item Name> (665)
Fisetin (Fustel)

>  <Catalog Number> (665)
S2298

>  <Synonyms> (665)
Fustel, Viset

>  <Target> (665)
Sirtuin

>  <Form> (665)
Free Base

>  <URL> (665)
http://www.selleckchem.com/products/Fisetin(Fustel).html

>  <CAS Number> (665)
528-48-3

$$$$
Formononetin.cdx
csChFnd80/07171813082D

 20 22  0  0  0  0  0  0  0  0999 V2000
    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
    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
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   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
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    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
  1  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  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (666)
752

>  <Formula> (666)
C16H12O4

>  <MolWeight> (666)
268.26408

>  <Item Name> (666)
Formononetin (Formononetol)

>  <Catalog Number> (666)
S2299

>  <Synonyms> (666)
Biochanin B, Formononetol 

>  <Target> (666)
Others

>  <Form> (666)
Free Base

>  <URL> (666)
http://www.selleckchem.com/products/Formononetin(Formononetol).html

>  <CAS Number> (666)
485-72-3

$$$$
Fumalic acid.cdx
csChFnd80/07171813082D

 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
    6.0496    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2879    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  2  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> (667)
753

>  <Formula> (667)
C10H10O4

>  <MolWeight> (667)
194.184

>  <Item Name> (667)
Fumalic acid (Ferulic acid)

>  <Catalog Number> (667)
S2300

>  <Synonyms> (667)
Ferulic acid

>  <Target> (667)
Others

>  <Form> (667)
Free Base

>  <URL> (667)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

>  <CAS Number> (667)
1135-24-6

$$$$
Glycyrrhizic acid.cdx
csChFnd80/07171813082D

 61 67  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (668)
754

>  <Formula> (668)
C42H62O16

>  <MolWeight> (668)
822.93208

>  <Item Name> (668)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Catalog Number> (668)
S2302

>  <Synonyms> (668)
N/A

>  <Target> (668)
Others

>  <Form> (668)
Free Base

>  <URL> (668)
http://www.selleckchem.com/products/Glycyrrhizic-acid.html

>  <CAS Number> (668)
1405-86-3

$$$$
Gramine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (669)
755

>  <Formula> (669)
C11H14N2

>  <MolWeight> (669)
174.24226

>  <Item Name> (669)
Gramine

>  <Catalog Number> (669)
S2304

>  <Synonyms> (669)
N/A

>  <Target> (669)
Others

>  <Form> (669)
Free Base

>  <URL> (669)
http://www.selleckchem.com/products/Gramine.html

>  <CAS Number> (669)
87-52-5

$$$$

csChFnd80/07171813082D

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M  END
>  <Mol_ID> (670)
756

>  <Formula> (670)
C47H80O17

>  <MolWeight> (670)
917.1279

>  <Item Name> (670)
Gynostemma Extract

>  <Catalog Number> (670)
S2306

>  <Synonyms> (670)
N/A

>  <Target> (670)
Others

>  <Form> (670)
Free Base

>  <URL> (670)
http://www.selleckchem.com/products/Gynostemma-Extract.html

>  <CAS Number> (670)
80321-63-7 

$$$$
Rotundine.cdx
csChFnd80/07171813082D

 27 30  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
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (671)
757

>  <Formula> (671)
C21H25NO4

>  <MolWeight> (671)
355.4275

>  <Item Name> (671)
Rotundine

>  <Catalog Number> (671)
S2437

>  <Synonyms> (671)
N/A 

>  <Target> (671)
Dopamine Receptor

>  <Form> (671)
Free Base

>  <URL> (671)
http://www.selleckchem.com/products/rotundine.html

>  <CAS Number> (671)
483-14-7

$$$$
Tolbutamide.cdx
csChFnd80/07171813082D

 18 18  0  0  0  0  0  0  0  0999 V2000
    7.2746    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
  2  3  2  0  0  0  0
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  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
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  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
  4 11  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (672)
758

>  <Formula> (672)
C12H18N2O3S

>  <MolWeight> (672)
270.34792

>  <Item Name> (672)
Tolbutamide

>  <Catalog Number> (672)
S2443 

>  <Synonyms> (672)
N/A 

>  <Target> (672)
Potassium Channel 

>  <Form> (672)
Free Base

>  <URL> (672)
http://www.selleckchem.com/products/tolbutamide.html

>  <CAS Number> (672)
64-77-7

$$$$
Hesperetin.cdx
csChFnd80/07171813082D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    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  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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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (673)
759

>  <Formula> (673)
C16H14O6

>  <MolWeight> (673)
302.27876

>  <Item Name> (673)
Hesperetin

>  <Catalog Number> (673)
S2308

>  <Synonyms> (673)
N/A

>  <Target> (673)
Histamine Receptor

>  <Form> (673)
Free Base

>  <URL> (673)
http://www.selleckchem.com/products/Hesperetin.html

>  <CAS Number> (673)
520-33-2

$$$$
Hesperidin.cdx
csChFnd80/07171813082D

 43 47  0  0  0  0  0  0  0  0999 V2000
    7.2704    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0580    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (674)
760

>  <Formula> (674)
C28H34O15

>  <MolWeight> (674)
610.56056

>  <Item Name> (674)
Hesperidin

>  <Catalog Number> (674)
S2309

>  <Synonyms> (674)
N/A

>  <Target> (674)
NULL

>  <Form> (674)
Free Base

>  <URL> (674)
http://www.selleckchem.com/products/Hesperidin.html

>  <CAS Number> (674)
520-26-3

$$$$
Honokiol.cdx
csChFnd80/07171813082D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (675)
761

>  <Formula> (675)
C18H18O2

>  <MolWeight> (675)
266.33432

>  <Item Name> (675)
Honokiol

>  <Catalog Number> (675)
S2310

>  <Synonyms> (675)
N/A

>  <Target> (675)
Akt, MEK

>  <Form> (675)
Free Base

>  <URL> (675)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (675)
35354-74-6

$$$$
Hyodeoxycholic acid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (676)
762

>  <Formula> (676)
C24H40O4

>  <MolWeight> (676)
392.572

>  <Item Name> (676)
Hyodeoxycholic acid (HDCA)

>  <Catalog Number> (676)
S2311

>  <Synonyms> (676)
3¦Á,6¦Á-Dihydroxy-5¦Â-cholan-24-oic acid, HDCA 

>  <Target> (676)
Others

>  <Form> (676)
Free Base

>  <URL> (676)
http://www.selleckchem.com/products/Hyodeoxycholic-acid(HDCA).html

>  <CAS Number> (676)
83-49-8

$$$$
Icariin.cdx
csChFnd80/07171813082D

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (677)
763

>  <Formula> (677)
C33H40O15

>  <MolWeight> (677)
676.6617

>  <Item Name> (677)
Icariin

>  <Catalog Number> (677)
S2312

>  <Synonyms> (677)
N/A

>  <Target> (677)
PDE

>  <Form> (677)
Free Base

>  <URL> (677)
http://www.selleckchem.com/products/Icariin.html

>  <CAS Number> (677)
489-32-7

$$$$
Indole-3-carbinol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (678)
764

>  <Formula> (678)
C9H9NO

>  <MolWeight> (678)
147.17386

>  <Item Name> (678)
Indole-3-carbinol

>  <Catalog Number> (678)
S2313

>  <Synonyms> (678)
N/A

>  <Target> (678)
NF-¦ÊB

>  <Form> (678)
Free Base

>  <URL> (678)
http://www.selleckchem.com/products/Indole-3-carbinol.html

>  <CAS Number> (678)
700-06-1

$$$$
Kaempferol.cdx
csChFnd80/07171813082D

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  7 20  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (679)
765

>  <Formula> (679)
C15H10O6

>  <MolWeight> (679)
286.2363

>  <Item Name> (679)
Kaempferol

>  <Catalog Number> (679)
S2314

>  <Synonyms> (679)
N/A

>  <Target> (679)
Estrogen/progestogen Receptor modulator

>  <Form> (679)
Free Base

>  <URL> (679)
http://www.selleckchem.com/products/Kaempferol.html

>  <CAS Number> (679)
520-18-3

$$$$
Kinetin.cdx
csChFnd80/07171813082D

 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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    1.2922    7.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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M  END
>  <Mol_ID> (680)
766

>  <Formula> (680)
C10H9N5O

>  <MolWeight> (680)
215.21136

>  <Item Name> (680)
Kinetin (6-Furfuryladenine)

>  <Catalog Number> (680)
S2316

>  <Synonyms> (680)
6-Furfuryladenine, N6-Furfuryladenine, 6-Furfurylaminopurine,Cytokinin 

>  <Target> (680)
Others

>  <Form> (680)
Free Base

>  <URL> (680)
http://www.selleckchem.com/products/Kinetin(6-Furfuryladenine).html

>  <CAS Number> (680)
525-79-1

$$$$
L(+)-Rhamnose Monohydrate.cdx
csChFnd80/07171813082D

 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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    3.4951    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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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  2  3  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  6  0  0  0
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  2  9  1  6  0  0  0
  1 10  1  1  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (681)
767

>  <Formula> (681)
C6H14O6

>  <MolWeight> (681)
182.17176

>  <Item Name> (681)
L (+)-Rhamnose Monohydrate

>  <Catalog Number> (681)
S2317

>  <Synonyms> (681)
N/A

>  <Target> (681)
Others

>  <Form> (681)
Monohydrate

>  <URL> (681)
http://www.selleckchem.com/products/L(+)-Rhamnose-Monohydrate.html

>  <CAS Number> (681)
10030-85-0 

$$$$
Limonin.cdx
csChFnd80/07171813082D

 37 43  0  0  0  0  0  0  0  0999 V2000
    8.7460    3.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7460    5.2849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1086    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8962    5.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8962    3.8849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1086    3.1849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6838    3.1849    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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 20 21  1  0  0  0  0
 10 22  1  1  0  0  0
  5 23  1  1  0  0  0
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  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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 17 36  1  0  0  0  0
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M  END
>  <Mol_ID> (682)
768

>  <Formula> (682)
C26H30O8

>  <MolWeight> (682)
470.5116

>  <Item Name> (682)
Limonin

>  <Catalog Number> (682)
S2319

>  <Synonyms> (682)
N/A

>  <Target> (682)
Others

>  <Form> (682)
Free Base

>  <URL> (682)
http://www.selleckchem.com/products/Limonin.html

>  <CAS Number> (682)
1180-71-8

$$$$
Luteolin.cdx
csChFnd80/07171813082D

 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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    3.6331    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> (683)
769

>  <Formula> (683)
C15H10O6

>  <MolWeight> (683)
286.2363

>  <Item Name> (683)
Luteolin

>  <Catalog Number> (683)
S2320

>  <Synonyms> (683)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (683)
PDE

>  <Form> (683)
Free Base

>  <URL> (683)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

>  <CAS Number> (683)
491-70-3 

$$$$
Magnolol.cdx
csChFnd80/07171813082D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (684)
770

>  <Formula> (684)
C18H18O2

>  <MolWeight> (684)
266.33432

>  <Item Name> (684)
Magnolol

>  <Catalog Number> (684)
S2321

>  <Synonyms> (684)
2,2'-Bichavicol

>  <Target> (684)
NF-¦ÊB

>  <Form> (684)
Free Base

>  <URL> (684)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

>  <CAS Number> (684)
528-43-8

$$$$
matrine.cdx
csChFnd80/07171813082D

 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
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    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
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    2.4249    3.5000    0.0000 H   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 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> (685)
771

>  <Formula> (685)
C15H24N2O

>  <MolWeight> (685)
248.36386

>  <Item Name> (685)
Matrine ((+)-Matrine)

>  <Catalog Number> (685)
S2322

>  <Synonyms> (685)
(+)-Matrine

>  <Target> (685)
Opioid Receptor

>  <Form> (685)
Free Base

>  <URL> (685)
http://www.selleckchem.com/products/Matrine((+)-Matrine).html

>  <CAS Number> (685)
519-02-8 

$$$$
Methyl-Hesperidin.cdx
csChFnd80/07171813082D

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.3771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    7.9771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    7.2771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    7.9771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    9.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    7.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    7.2795    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2578    5.8795    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4702    5.1795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6827    5.8795    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    7.2795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4702    7.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    7.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    7.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    5.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    5.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    7.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    7.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    5.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9488    5.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9488    7.2795    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7364    7.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    7.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695    7.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5819    7.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5819    9.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695   10.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    9.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   11.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    5.1819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    5.1819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3115    3.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    3.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695   11.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902   10.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902   11.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0561    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2685    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
  1  9  1  1  0  0  0
 10  8  1  1  0  0  0
 10 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 10  1  0  0  0  0
 14 16  1  1  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
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  6  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 27  1  0  0  0  0
  6 33  1  6  0  0  0
  2 34  1  6  0  0  0
  3 35  1  6  0  0  0
 11 36  1  6  0  0  0
 13 37  1  6  0  0  0
 12 38  1  1  0  0  0
 19 39  1  0  0  0  0
 23 40  2  0  0  0  0
 31 41  1  0  0  0  0
 30 42  1  0  0  0  0
 42 43  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
>  <Mol_ID> (686)
772

>  <Formula> (686)
C29H38O16

>  <MolWeight> (686)
642.60242

>  <Item Name> (686)
Methyl-Hesperidin

>  <Catalog Number> (686)
S2323

>  <Synonyms> (686)
N/A

>  <Target> (686)
Others

>  <Form> (686)
Free Base

>  <URL> (686)
http://www.selleckchem.com/products/Methyl-Hesperidin.html

>  <CAS Number> (686)
11013-97-1

$$$$
Morin.cdx
csChFnd80/07171813082D

 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
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    7.2662    2.3795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (687)
774

>  <Formula> (687)
C15H12O8

>  <MolWeight> (687)
320.25098

>  <Item Name> (687)
Morin hydrate (Aurantica)

>  <Catalog Number> (687)
S2325

>  <Synonyms> (687)
N/A

>  <Target> (687)
Others

>  <Form> (687)
Hydrate

>  <URL> (687)
http://www.selleckchem.com/products/Morin-hydrate(Aurantica).html

>  <CAS Number> (687)
6202-27-3

$$$$
Myricetin.cdx
csChFnd80/07171813082D

 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
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    0.0000    4.1927    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  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> (688)
775

>  <Formula> (688)
C15H10O8

>  <MolWeight> (688)
318.2351

>  <Item Name> (688)
Myricetin (Cannabiscetin)

>  <Catalog Number> (688)
S2326

>  <Synonyms> (688)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (688)
NULL

>  <Form> (688)
Free Base

>  <URL> (688)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

>  <CAS Number> (688)
529-44-2

$$$$
Myricitrin.cdx
csChFnd80/07171813082D

 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
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    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (689)
776

>  <Formula> (689)
C21H20O12

>  <MolWeight> (689)
464.3763

>  <Item Name> (689)
Myricitrin (Myricitrine)

>  <Catalog Number> (689)
S2327

>  <Synonyms> (689)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (689)
PKC

>  <Form> (689)
Free Base

>  <URL> (689)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

>  <CAS Number> (689)
17912-87-7

$$$$
Nalidixic acid.cdx
csChFnd80/07171813082D

 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> (690)
777

>  <Formula> (690)
C12H12N2O3

>  <MolWeight> (690)
232.23528

>  <Item Name> (690)
Nalidixic acid (NegGram)

>  <Catalog Number> (690)
S2328

>  <Synonyms> (690)
NegGram, Nevigramon, Nalidixin, Uronidix 

>  <Target> (690)
Topoisomerase

>  <Form> (690)
Free Base

>  <URL> (690)
http://www.selleckchem.com/products/Nalidixic-acid(NegGram).html

>  <CAS Number> (690)
389-08-2

$$$$
Naringin.cdx
csChFnd80/07171813082D

 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
    7.3134   11.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    4.1927    6.0580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7927    6.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    4.8455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    6.9927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2927    4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3927    1.2082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0927    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6976    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (691)
778

>  <Formula> (691)
C27H32O14

>  <MolWeight> (691)
580.53458

>  <Item Name> (691)
Naringin (Naringoside)

>  <Catalog Number> (691)
S2329

>  <Synonyms> (691)
Naringoside, Naringenine-7-rhamnosidoglucoside 

>  <Target> (691)
P450 (e.g. CYP17)

>  <Form> (691)
Free Base

>  <URL> (691)
http://www.selleckchem.com/products/Naringin(Naringoside).html

>  <CAS Number> (691)
10236-47-2 

$$$$
Neohesperidin dihydrochalcone.cdx
csChFnd80/07171813082D

 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
    4.8455    9.7903    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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3927    0.0000 O   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
    3.6331   10.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (692)
779

>  <Formula> (692)
C28H36O15

>  <MolWeight> (692)
612.57644

>  <Item Name> (692)
Neohesperidin dihydrochalcone (Nhdc)

>  <Catalog Number> (692)
S2331

>  <Synonyms> (692)
Nhdc, Neohesperidin dc, Neohesperidin dhc 

>  <Target> (692)
Others

>  <Form> (692)
Free Base

>  <URL> (692)
http://www.selleckchem.com/products/Neohesperidin-dihydrochalcone(Nhdc).html

>  <CAS Number> (692)
20702-77-6 

$$$$
Nobiletin.cdx
csChFnd80/07171813082D

 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
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   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
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    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
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  4  7  1  0  0  0  0
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 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
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 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
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  7 18  2  0  0  0  0
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 25 20  1  0  0  0  0
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 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (693)
780

>  <Formula> (693)
C21H22O8

>  <MolWeight> (693)
402.39458

>  <Item Name> (693)
Nobiletin (Hexamethoxyflavone)

>  <Catalog Number> (693)
S2333

>  <Synonyms> (693)
N/A 

>  <Target> (693)
MMP

>  <Form> (693)
Free Base

>  <URL> (693)
http://www.selleckchem.com/products/Nobiletin(Hexamethoxyflavone).html

>  <CAS Number> (693)
478-01-3

$$$$
Oleanolic Acid.cdx
csChFnd80/07171813082D

 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
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    9.6953    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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    3.1207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9953    9.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1159    5.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.6124    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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 10  5  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
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 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
 21 25  1  0  0  0  0
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 19 27  1  1  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  2 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
  4 34  1  6  0  0  0
 10 35  1  6  0  0  0
 11 36  1  6  0  0  0
M  END
>  <Mol_ID> (694)
781

>  <Formula> (694)
C30H48O3

>  <MolWeight> (694)
456.70032

>  <Item Name> (694)
Oleanolic Acid (Caryophyllin)

>  <Catalog Number> (694)
S2334

>  <Synonyms> (694)
Caryophyllin, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B 

>  <Target> (694)
Antifection

>  <Form> (694)
Free Base

>  <URL> (694)
http://www.selleckchem.com/products/Oleanolic-Acid(Caryophyllin).html

>  <CAS Number> (694)
508-02-1

$$$$
Oridonin.cdx
csChFnd80/07171813082D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5553    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5553    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7677    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465    5.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    6.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9105    8.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4641    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1677    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    7.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6429    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654    1.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8719    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624    7.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    9.1019    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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 15  9  1  0  0  0  0
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 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
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 25 26  1  0  0  0  0
  7 26  1  1  0  0  0
 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (695)
782

>  <Formula> (695)
C20H28O6

>  <MolWeight> (695)
364.43272

>  <Item Name> (695)
Oridonin (Isodonol)

>  <Catalog Number> (695)
S2335

>  <Synonyms> (695)
Isodonol

>  <Target> (695)
Others

>  <Form> (695)
Free Base

>  <URL> (695)
http://www.selleckchem.com/products/Oridonin(Isodonol).html

>  <CAS Number> (695)
28957-04-2

$$$$
OROTIC ACID.cdx
csChFnd80/07171813082D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2082    0.0000    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  1  0  0  0  0
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  6  1  1  0  0  0  0
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  4  8  2  0  0  0  0
  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> (696)
783

>  <Formula> (696)
C5H4N2O4

>  <MolWeight> (696)
156.09626

>  <Item Name> (696)
Orotic acid (6-Carboxyuracil)

>  <Catalog Number> (696)
S2336

>  <Synonyms> (696)
6-Carboxyuracil, Orodin, Oropur, Orotonin, Orotonsan 

>  <Target> (696)
Others

>  <Form> (696)
Free Base

>  <URL> (696)
http://www.selleckchem.com/products/Orotic-acid(6-Carboxyuracil).html

>  <CAS Number> (696)
65-86-1

$$$$
Osthole.cdx
csChFnd80/07171813082D

 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
    0.0000    2.0976    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
    6.0538    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  9 18  2  0  0  0  0
M  END
>  <Mol_ID> (697)
784

>  <Formula> (697)
C15H16O3

>  <MolWeight> (697)
244.28574

>  <Item Name> (697)
Osthole (Osthol)

>  <Catalog Number> (697)
S2337

>  <Synonyms> (697)
Osthol, Ostole, Ostol

>  <Target> (697)
Others

>  <Form> (697)
Free Base

>  <URL> (697)
http://www.selleckchem.com/products/Osthole(Osthol).html

>  <CAS Number> (697)
484-12-8

$$$$
Oxymatrine.cdx
csChFnd80/07171813082D

 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
    2.4249    1.4000    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  1  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
    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
    3.6373    3.5000    0.0000 C   0  0  2  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    5.6000    0.0000 N   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    5.6000    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    7.7000    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
    1.2166    7.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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
  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
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 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 11 19  1  1  0  0  0
  5 20  1  6  0  0  0
 10 21  1  6  0  0  0
  6 22  1  6  0  0  0
  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (698)
785

>  <Formula> (698)
C15H24N2O2

>  <MolWeight> (698)
264.36326

>  <Item Name> (698)
Oxymatrine (Matrine N-oxide)

>  <Catalog Number> (698)
S2338

>  <Synonyms> (698)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (698)
Others

>  <Form> (698)
Free Base

>  <URL> (698)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

>  <CAS Number> (698)
16837-52-8 

$$$$
Paeonol.cdx
csChFnd80/07171813082D

 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
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    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
    1.2082    0.0024    0.0000 O   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
    7.2620    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  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
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (699)
786

>  <Formula> (699)
C9H10O3

>  <MolWeight> (699)
166.1739

>  <Item Name> (699)
Paeonol (Peonol)

>  <Catalog Number> (699)
S2339

>  <Synonyms> (699)
Peonol

>  <Target> (699)
MAO

>  <Form> (699)
Free Base

>  <URL> (699)
http://www.selleckchem.com/products/Paeonol(Peonol).html

>  <CAS Number> (699)
552-41-0 

$$$$
Parthenolide.cdx
csChFnd80/07171813082D

 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
    0.0000    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.4240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  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
  7 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (700)
787

>  <Formula> (700)
C15H20O3

>  <MolWeight> (700)
248.3175

>  <Item Name> (700)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (700)
S2341

>  <Synonyms> (700)
N/A 

>  <Target> (700)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (700)
Free Base

>  <URL> (700)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

>  <CAS Number> (700)
20554-84-1

$$$$
Phloretin.cdx
csChFnd80/07171813082D

 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
    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
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
 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  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (701)
788

>  <Formula> (701)
C15H14O5

>  <MolWeight> (701)
274.26866

>  <Item Name> (701)
Phloretin

>  <Catalog Number> (701)
S2342

>  <Synonyms> (701)
Dihydronaringenin

>  <Target> (701)
SGLT

>  <Form> (701)
Free Base

>  <URL> (701)
http://www.selleckchem.com/products/Phloretin(Dihydronaringenin).html

>  <CAS Number> (701)
60-82-2

$$$$
Phlorizin.cdx
csChFnd80/07171813082D

 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
    4.8455    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    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
    3.6331    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5408    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1202    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.0976    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
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    7.2704    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    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  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13  5  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
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 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 19  1  0  0  0  0
 16 24  1  1  0  0  0
 14 25  1  1  0  0  0
 17 26  1  6  0  0  0
 15 27  1  6  0  0  0
 22 28  1  0  0  0  0
  7 29  2  0  0  0  0
  3 30  1  0  0  0  0
 25 31  1  0  0  0  0
M  END
>  <Mol_ID> (702)
789

>  <Formula> (702)
C21H24O10

>  <MolWeight> (702)
436.40926

>  <Item Name> (702)
Phlorizin (Phloridzin)

>  <Catalog Number> (702)
S2343

>  <Synonyms> (702)
Phlorhizin, Phlorizoside 

>  <Target> (702)
SGLT

>  <Form> (702)
Free Base

>  <URL> (702)
http://www.selleckchem.com/products/Phlorizin(Phloridzin).html

>  <CAS Number> (702)
60-81-1

$$$$
Piperine.cdx
csChFnd80/07171813082D

 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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    2.4249    4.9000    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
    1.2124    7.0000    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
    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
    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
    8.4870    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
    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
   11.0310    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    2.5326    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
  3  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
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 14 15  2  0  0  0  0
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 17 13  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
  7 21  2  0  0  0  0
M  END
>  <Mol_ID> (703)
790

>  <Formula> (703)
C17H19NO3

>  <MolWeight> (703)
285.33766

>  <Item Name> (703)
Piperine (1-Piperoylpiperidine)

>  <Catalog Number> (703)
S2344

>  <Synonyms> (703)
Piperin 

>  <Target> (703)
P450 (e.g. CYP17)

>  <Form> (703)
Free Base

>  <URL> (703)
http://www.selleckchem.com/products/Piperine(1-Piperoylpiperidine).html

>  <CAS Number> (703)
94-62-2 

$$$$
Puerarin.cdx
csChFnd80/07171813082D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.6700    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3892    3.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890    3.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4697    4.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7504    6.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3506    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2702    4.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5896    3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3088    2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7086    2.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5535    5.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8646    4.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5058    2.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4754    4.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756    4.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950    3.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1142    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140    2.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9056    2.4117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.4305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6347    1.2166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0343    1.2166    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7048    2.4117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0343    3.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6347    3.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0999    2.4117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9518    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7393    4.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7393    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0492    6.0233    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
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  0  0  0  0
 11 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 11  1  0  0  0  0
 20 14  1  6  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 24 27  1  1  0  0  0
 22 28  1  1  0  0  0
 25 29  1  6  0  0  0
 23 30  1  6  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (704)
791

>  <Formula> (704)
C21H20O10

>  <MolWeight> (704)
432.3775

>  <Item Name> (704)
Puerarin (Kakonein)

>  <Catalog Number> (704)
S2346

>  <Synonyms> (704)
NPI-31G 

>  <Target> (704)
5-HT Receptor

>  <Form> (704)
Free Base

>  <URL> (704)
http://www.selleckchem.com/products/Puerarin(Kakonein).html

>  <CAS Number> (704)
3681-99-0

$$$$
Quercetin dihydrate.cdx
csChFnd80/07171813082D

 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
    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
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    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
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (705)
792

>  <Formula> (705)
C15H14O9

>  <MolWeight> (705)
338.26626

>  <Item Name> (705)
Quercetin dihydrate (Sophoretin)

>  <Catalog Number> (705)
S2347

>  <Synonyms> (705)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (705)
Others

>  <Form> (705)
Dihydrate

>  <URL> (705)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

>  <CAS Number> (705)
6151-25-3

$$$$
Rutaecarpine.cdx
csChFnd80/07171813082D

 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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   10.5302    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5302    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    5.4484    0.0000 C   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
    0.5694    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    6.8435    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  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
 10  2  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 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> (706)
793

>  <Formula> (706)
C18H13N3O

>  <MolWeight> (706)
287.31532

>  <Item Name> (706)
Rutaecarpine (Rutecarpine)

>  <Catalog Number> (706)
S2349

>  <Synonyms> (706)
Rutecarpine, Rutacarpine, Rutaecarpin, Rhetine 

>  <Target> (706)
COX

>  <Form> (706)
Free Base

>  <URL> (706)
http://www.selleckchem.com/products/Rutaecarpine(Rutecarpine).html

>  <CAS Number> (706)
84-26-4

$$$$
Rutin DAB10.cdx
csChFnd80/07171813082D

 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
    9.6869   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.8993   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   13.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    3.4976    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
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4207    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   11.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   15.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.4976    0.0000 O   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
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2927    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
 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> (707)
794

>  <Formula> (707)
C27H30O16

>  <MolWeight> (707)
610.5175

>  <Item Name> (707)
Rutin (Rutoside)

>  <Catalog Number> (707)
S2350

>  <Synonyms> (707)
Quercetin 3-rutinoside, Rutin trihydrate, Phytomelin, Birutan, Sophorin, Venoruton, Eldrin 

>  <Target> (707)
NULL

>  <Form> (707)
Free Base

>  <URL> (707)
http://www.selleckchem.com/products/Rutin(Rutoside).html

>  <CAS Number> (707)
153-18-4

$$$$
Salicin.cdx
csChFnd80/07171813082D

 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
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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    3.4951    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
    8.4828    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  6  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  1  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
 14 15  1  0  0  0  0
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  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> (708)
795

>  <Formula> (708)
C13H18O7

>  <MolWeight> (708)
286.27782

>  <Item Name> (708)
Salicin (Salicoside, Salicine)

>  <Catalog Number> (708)
S2351

>  <Synonyms> (708)
Salicoside, Salicine

>  <Target> (708)
COX

>  <Form> (708)
Free Base

>  <URL> (708)
http://www.selleckchem.com/products/Salicin(Salicoside,-Salicine).html

>  <CAS Number> (708)
138-52-3

$$$$
Sclareol.cdx
csChFnd80/07171813082D

 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
    2.6076    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.2449    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7903    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
    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
  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
 10 12  1  0  0  0  0
  3 13  1  1  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
 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> (709)
796

>  <Formula> (709)
C20H36O2

>  <MolWeight> (709)
308.49864

>  <Item Name> (709)
Sclareol

>  <Catalog Number> (709)
S2354

>  <Synonyms> (709)
N/A

>  <Target> (709)
Others

>  <Form> (709)
Free Base

>  <URL> (709)
http://www.selleckchem.com/products/Sclareol.html

>  <CAS Number> (709)
515-03-7

$$$$
Dihydromyricetin.cdx
csChFnd80/07171813082D

 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
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    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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    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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  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
  1 11  1  0  0  0  0
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  7 13  2  0  0  0  0
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 20 15  1  0  0  0  0
 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> (710)
797

>  <Formula> (710)
C15H12O8

>  <MolWeight> (710)
320.25098

>  <Item Name> (710)
Dihydromyricetin (Ampeloptin)

>  <Catalog Number> (710)
S2399

>  <Synonyms> (710)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (710)
Others

>  <Form> (710)
Free Base

>  <URL> (710)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

>  <CAS Number> (710)
27200-12-0

$$$$
Sodium Danshensu.cdx
csChFnd80/07171813082D

 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
    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  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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   10.0160    2.2244    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
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  4  5  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (711)
799

>  <Formula> (711)
C9H9NaO5

>  <MolWeight> (711)
220.15453

>  <Item Name> (711)
Sodium Danshensu

>  <Catalog Number> (711)
S2401

>  <Synonyms> (711)
N/A

>  <Target> (711)
P450

>  <Form> (711)
Sodium Salt

>  <URL> (711)
http://www.selleckchem.com/products/Sodium-Danshensu.html

>  <CAS Number> (711)
67920-52-9

$$$$
Isoliquiritigenin.cdx
csChFnd80/07171813082D

 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
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    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
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 13 18  1  0  0  0  0
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M  END
>  <Mol_ID> (712)
802

>  <Formula> (712)
C15H12O4

>  <MolWeight> (712)
256.25338

>  <Item Name> (712)
Isoliquiritigenin

>  <Catalog Number> (712)
S2404

>  <Synonyms> (712)
N/A

>  <Target> (712)
Others

>  <Form> (712)
Free Base

>  <URL> (712)
http://www.selleckchem.com/products/Isoliquiritigenin.html

>  <CAS Number> (712)
961-29-5

$$$$
Sophocarpine.cdx
csChFnd80/07171813082D

 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
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    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  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
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    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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  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
 15 16  1  0  0  0  0
 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> (713)
803

>  <Formula> (713)
C15H22N2O

>  <MolWeight> (713)
246.34798

>  <Item Name> (713)
Sophocarpine

>  <Catalog Number> (713)
S2405 

>  <Synonyms> (713)
N/A

>  <Target> (713)
Others

>  <Form> (713)
Free Base

>  <URL> (713)
http://www.selleckchem.com/products/Sophocarpine.html

>  <CAS Number> (713)
6483-15-4

$$$$
Chrysophanic acid.cdx
csChFnd80/07171813082D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   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
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  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> (714)
804

>  <Formula> (714)
C15H10O4

>  <MolWeight> (714)
254.2375

>  <Item Name> (714)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (714)
S2406

>  <Synonyms> (714)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (714)
EGFR, mTOR

>  <Form> (714)
Free Base

>  <URL> (714)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (714)
481-74-3

$$$$
Curcumol.cdx
csChFnd80/07171813082D

 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> (715)
805

>  <Formula> (715)
C15H24O2

>  <MolWeight> (715)
236.34986

>  <Item Name> (715)
Curcumol

>  <Catalog Number> (715)
S2407

>  <Synonyms> (715)
N/A

>  <Target> (715)
JAK

>  <Form> (715)
Free Base

>  <URL> (715)
http://www.selleckchem.com/products/Curcumol.html

>  <CAS Number> (715)
4871-97-0

$$$$
Amantadine HCl.cdx
csChFnd80/07171813082D

 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> (716)
806

>  <Formula> (716)
C10H18ClN

>  <MolWeight> (716)
187.70962

>  <Item Name> (716)
Amantadine hydrochloride (Symmetrel)

>  <Catalog Number> (716)
S2451

>  <Synonyms> (716)
Symmetrel

>  <Target> (716)
Dopamine Receptor

>  <Form> (716)
Hydrochloride

>  <URL> (716)
selleckchem.com/products/Amantadine-hydrochloride(Symmetrel).html

>  <CAS Number> (716)
665-66-7

$$$$
Amfebutamone HCl.cdx
csChFnd80/07171813082D

 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> (717)
807

>  <Formula> (717)
C13H19Cl2NO

>  <MolWeight> (717)
276.20206

>  <Item Name> (717)
Amfebutamone (Bupropion) HCl

>  <Catalog Number> (717)
S2452

>  <Synonyms> (717)
Wellbutrin, Zyban, Budeprion

>  <Target> (717)
Dopamine Receptor

>  <Form> (717)
Hydrochloride

>  <URL> (717)
http://www.selleckchem.com/products/Amfebutamone-hydrochloride(Bupropion).html

>  <CAS Number> (717)
31677-93-7

$$$$
Benserazide hydrochloride.cdx
csChFnd80/07171813082D

 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> (718)
808

>  <Formula> (718)
C10H16ClN3O5

>  <MolWeight> (718)
293.70414

>  <Item Name> (718)
Benserazide HCl

>  <Catalog Number> (718)
S2453

>  <Synonyms> (718)
Ro-4-4602

>  <Target> (718)
Dopamine Receptor

>  <Form> (718)
Hydrochloride

>  <URL> (718)
selleckchem.com/products/Benserazide-hydrochloride(Serazide).html

>  <CAS Number> (718)
14919-77-8

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/07171813082D

 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> (719)
809

>  <Formula> (719)
C18H29ClN2O

>  <MolWeight> (719)
324.88866

>  <Item Name> (719)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (719)
S2454

>  <Synonyms> (719)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (719)
Sodium Channel

>  <Form> (719)
Hydrochloride

>  <URL> (719)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (719)
18010-40-7

$$$$
Astragaloside A.cdx
csChFnd80/07171813082D

 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
   13.0809   17.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0809    9.5755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620    5.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9620    5.0827    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
  2  7  1  1  0  0  0
  4  8  1  1  0  0  0
  3  9  1  6  0  0  0
  1 10  1  6  0  0  0
 11  8  1  1  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  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 14  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
 24 20  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 20 28  1  1  0  0  0
 14 28  1  1  0  0  0
 19 29  1  1  0  0  0
 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
 35 36  1  0  0  0  0
 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
 26 45  1  1  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 44  1  0  0  0  0
 44 50  1  6  0  0  0
 48 51  1  1  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
 51 54  1  0  0  0  0
 27 55  1  6  0  0  0
 13 56  1  6  0  0  0
 12 57  1  0  0  0  0
 12 58  1  0  0  0  0
M  END
>  <Mol_ID> (720)
810

>  <Formula> (720)
C41H68O14

>  <MolWeight> (720)
784.97022

>  <Item Name> (720)
Astragaloside A

>  <Catalog Number> (720)
S2415

>  <Synonyms> (720)
Cyclosiversioside F

>  <Target> (720)
Calcium Channel

>  <Form> (720)
Free Base

>  <URL> (720)
http://www.selleckchem.com/products/astragaloside-a.html

>  <CAS Number> (720)
83207-58-3

$$$$
Carbamyl-beta-methylcholine chloride.cdx
csChFnd80/07171813082D

 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
    4.8582    3.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  4  5  1  0  0  0  0
  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> (721)
811

>  <Formula> (721)
C7H17ClN2O2

>  <MolWeight> (721)
196.67508

>  <Item Name> (721)
Bethanechol chloride

>  <Catalog Number> (721)
S2455

>  <Synonyms> (721)
N/A 

>  <Target> (721)
AChR

>  <Form> (721)
quaternary-N Chloride salt

>  <URL> (721)
selleckchem.com/products/Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride).html

>  <CAS Number> (721)
590-63-6

$$$$
Chlorpromazine HCl.cdx
csChFnd80/07171813082D

 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
    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 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
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0042    6.2976    0.0000 C   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
    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
  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  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
 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
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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> (722)
812

>  <Formula> (722)
C17H20Cl2N2S

>  <MolWeight> (722)
355.3251

>  <Item Name> (722)
Chlorpromazine HCl

>  <Catalog Number> (722)
S2456

>  <Synonyms> (722)
Sonazine

>  <Target> (722)
Dopamine Receptor, Potassium Channel

>  <Form> (722)
Hydrochloride

>  <URL> (722)
http://www.selleckchem.com/products/Chlorpromazine-hydrochloride(Sonazine).html

>  <CAS Number> (722)
69-09-0

$$$$
Clindamycin HCl.cdx
csChFnd80/07171813082D

 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
    3.6331    5.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.0521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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  3  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
    7.2704    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.9521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.9497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7576    3.3802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6944    4.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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    2.4207    7.4472    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618    6.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   11.9493    7.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5168    8.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6034    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
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  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
 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
M  END
>  <Mol_ID> (723)
813

>  <Formula> (723)
C18H34Cl2N2O5S

>  <MolWeight> (723)
461.44396

>  <Item Name> (723)
Clindamycin hydrochloride (Dalacin)

>  <Catalog Number> (723)
S2457

>  <Synonyms> (723)
Dalacin, Duac, BenzaClin,Clindoxyl, Acanya 

>  <Target> (723)
Antifection

>  <Form> (723)
Hydrochloride

>  <URL> (723)
http://www.selleckchem.com/products/Clindamycin-hydrochloride(Dalacin).html

>  <CAS Number> (723)
21462-39-5

$$$$
Clonidine HCl.cdx
csChFnd80/07171813082D

 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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 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
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (724)
814

>  <Formula> (724)
C9H10Cl3N3

>  <MolWeight> (724)
266.5548

>  <Item Name> (724)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (724)
S2458

>  <Synonyms> (724)
Catapres

>  <Target> (724)
Adrenergic Receptor

>  <Form> (724)
Hydrochloride

>  <URL> (724)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (724)
4205-91-8

$$$$
Clozapine.cdx
csChFnd80/07171813082D

 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
    8.8956    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (725)
815

>  <Formula> (725)
C18H19ClN4

>  <MolWeight> (725)
326.82326

>  <Item Name> (725)
Clozapine (Clozaril)

>  <Catalog Number> (725)
S2459

>  <Synonyms> (725)
Leponex, Fazaclo

>  <Target> (725)
5-HT Receptor

>  <Form> (725)
Free Base

>  <URL> (725)
http://www.selleckchem.com/products/Clozapine(Clozaril).html

>  <CAS Number> (725)
5786-21-0

$$$$
Dehydroepiandrosterone.cdx
csChFnd80/07171813082D

 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
    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  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
    3.6331    3.4951    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
    8.9642    5.9849    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  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  2  0  0  0  0
 10 23  1  6  0  0  0
 11 24  1  6  0  0  0
M  END
>  <Mol_ID> (726)
816

>  <Formula> (726)
C19H28O2

>  <MolWeight> (726)
288.42442

>  <Item Name> (726)
Dehydroepiandrosterone (DHEA)

>  <Catalog Number> (726)
S2604

>  <Synonyms> (726)
DHEA

>  <Target> (726)
Androgen Receptor

>  <Form> (726)
Free Base

>  <URL> (726)
http://www.selleckchem.com/products/Dehydroepiandrosterone(DHEA).html

>  <CAS Number> (726)
53-43-0

$$$$
Domperidone.cdx
csChFnd80/07171813082D

 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
    6.4384    2.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6467    1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    2.1944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    2.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    3.8754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.3719    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2798    2.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2798    3.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    4.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    3.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4880    4.2920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7670    3.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7037    4.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0037    5.9754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6343    5.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1996    2.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5690    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5058    3.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0731    4.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9082    4.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5975    6.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8704    2.8503    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
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 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  9  1  0  0  0  0
  4 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  4  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 20 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 21  1  0  0  0  0
  6 28  2  0  0  0  0
 23 29  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (727)
817

>  <Formula> (727)
C22H24ClN5O2

>  <MolWeight> (727)
425.91126

>  <Item Name> (727)
Domperidone (Motilium)

>  <Catalog Number> (727)
S2461

>  <Synonyms> (727)
Motilium, Motillium, Motinorm, Costi 

>  <Target> (727)
Dopamine Receptor

>  <Form> (727)
Free Base

>  <URL> (727)
http://www.selleckchem.com/products/Domperidone(Motilium).html

>  <CAS Number> (727)
57808-66-9

$$$$
Donepezil HCl.cdx
csChFnd80/07171813082D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.7927    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1295    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4085    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2621    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.8041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    6.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2989    3.0259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8787    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8787    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9442    5.5606    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  3  1  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  2  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
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 19 22  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
 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> (728)
818

>  <Formula> (728)
C24H30ClNO3

>  <MolWeight> (728)
415.9529

>  <Item Name> (728)
Donepezil HCl (Aricept)

>  <Catalog Number> (728)
S2462

>  <Synonyms> (728)
N/A 

>  <Target> (728)
AChR

>  <Form> (728)
Hydrochloride

>  <URL> (728)
http://www.selleckchem.com/products/Donepezil-hydrochloride(Aricept).html

>  <CAS Number> (728)
120011-70-3

$$$$
Estriol.cdx
csChFnd80/07171813082D

 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  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 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  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.8199    3.5000    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  1  1  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (729)
819

>  <Formula> (729)
C18H24O3

>  <MolWeight> (729)
288.38136

>  <Item Name> (729)
Estriol

>  <Catalog Number> (729)
S2466

>  <Synonyms> (729)
Oestriol

>  <Target> (729)
Estrogen/progestogen Receptor

>  <Form> (729)
Free Base

>  <URL> (729)
http://www.selleckchem.com/products/Estriol(Oestriol).html

>  <CAS Number> (729)
50-27-1

$$$$
Famciclovir.cdx
csChFnd80/07171813082D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.5253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    7.6927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    8.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    9.9580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7521    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9604    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3357    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3357    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  2 10  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  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 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> (730)
820

>  <Formula> (730)
C14H19N5O4

>  <MolWeight> (730)
321.33176

>  <Item Name> (730)
Famciclovir (Famvir)

>  <Catalog Number> (730)
S2467

>  <Synonyms> (730)
Famvir

>  <Target> (730)
Antifection

>  <Form> (730)
Free Base

>  <URL> (730)
http://www.selleckchem.com/products/Famciclovir(Famvir).html

>  <CAS Number> (730)
104227-87-4

$$$$
Fenbendazole.cdx
csChFnd80/07171813082D

 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
    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    0.0024    0.0000 S   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
    6.0580    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    0.2698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.5351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    1.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8224    3.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9151    2.6149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199    5.0313    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 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
 10 14  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
 15 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
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (731)
821

>  <Formula> (731)
C15H13N3O2S

>  <MolWeight> (731)
299.34762

>  <Item Name> (731)
Fenbendazole (Panacur)

>  <Catalog Number> (731)
S2468

>  <Synonyms> (731)
 Panacur, Safe-Guard

>  <Target> (731)
Antifection

>  <Form> (731)
Free Base

>  <URL> (731)
http://www.selleckchem.com/products/Fenbendazole(Panacur).html

>  <CAS Number> (731)
43210-67-9

$$$$
Gallamine triethiodide.cdx
csChFnd80/07171813082D

 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
    8.1209    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    5.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    6.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    7.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7540    8.2129    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.7540    4.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9622    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1705    4.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3787    3.3250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.9127    4.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4962    4.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880    3.3250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.9664    8.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4540    7.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0540    9.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7540   10.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3187    8.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    5.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5911    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6787    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0787    4.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4310    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9535    1.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3264    1.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    4.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9880    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6257    0.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7233    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    5.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4924    4.7392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    8.0924    4.7392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    8.7924    3.3392    0.0000 I   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
  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
  5 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
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 33 34  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (732)
823

>  <Formula> (732)
C30H60I3N3O3

>  <MolWeight> (732)
891.52911

>  <Item Name> (732)
Gallamine triethiodide (Flaxedil)

>  <Catalog Number> (732)
S2471

>  <Synonyms> (732)
Flaxedil

>  <Target> (732)
AChR

>  <Form> (732)
tri-quaternary-N iodide salt

>  <URL> (732)
http://www.selleckchem.com/products/Gallamine-triethiodide(Flaxedil).html

>  <CAS Number> (732)
65-29-2

$$$$
Hexestrol.cdx
csChFnd80/07171813082D

 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
    1.2082    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   11.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    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
    6.0496    5.5927    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
    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    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
  8  3  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  1  6  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
M  END
>  <Mol_ID> (733)
825

>  <Formula> (733)
C18H22O2

>  <MolWeight> (733)
270.36608

>  <Item Name> (733)
Hexestrol (Bibenzyl)

>  <Catalog Number> (733)
S2473

>  <Synonyms> (733)
Bibenzyl, Cycloestrol, Dihydro-stilbestro, Dihydrostilbestrol, Estra-Plex 

>  <Target> (733)
Estrogen/progestogen Receptor

>  <Form> (733)
Free Base

>  <URL> (733)
http://www.selleckchem.com/products/Hexestrol(Bibenzyl).html

>  <CAS Number> (733)
84-16-2

$$$$
Imatinib.cdx
csChFnd80/07171813082D

 37 41  0  0  0  0  0  0  0  0999 V2000
    4.8371   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8951    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
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    2.1000    0.0000 O   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
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    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
   10.8909    2.7976    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
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 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  7  1  0  0  0  0
  9 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  9  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 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
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 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
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (734)
826

>  <Formula> (734)
C29H31N7O

>  <MolWeight> (734)
493.60274

>  <Item Name> (734)
Imatinib (STI571) 

>  <Catalog Number> (734)
S2475 

>  <Synonyms> (734)
STI571, Glivec

>  <Form> (734)
Free Base

>  <URL> (734)
http://www.selleckchem.com/products/Imatinib(STI571).html

>  <CAS Number> (734)
152459-95-5

$$$$
Lincomycin  HCl.cdx
csChFnd80/07171813082D

 29 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.8417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.4417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.7417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.4417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    6.9417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    7.6417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    9.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571   10.2078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571   11.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877   11.1291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9509   12.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446   10.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646   11.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6521   11.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.7441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7441    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7118    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  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
  1 10  1  6  0  0  0
  7 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  1  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 14  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  1  0  0  0
  3 24  1  6  0  0  0
  4 25  1  6  0  0  0
 25 26  1  0  0  0  0
  8 27  1  1  0  0  0
  6 28  1  6  0  0  0
M  END
>  <Mol_ID> (735)
827

>  <Formula> (735)
C18H35ClN2O6S

>  <MolWeight> (735)
442.9983

>  <Item Name> (735)
Lincomycin hydrochloride (Lincocin)

>  <Catalog Number> (735)
S2479

>  <Synonyms> (735)
Lincocin

>  <Target> (735)
Antifection

>  <Form> (735)
Hydrochloride

>  <URL> (735)
http://www.selleckchem.com/products/Lincomycin-hydrochloride(Lincocin).html

>  <CAS Number> (735)
859-18-7

$$$$
Loperamide HCl.cdx
csChFnd80/07171813082D

 35 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  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    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 C   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
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9051    5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850    5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2675    7.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2775    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9252    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5629    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5528    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2373    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2273    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8649    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5126    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5227    7.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1555    0.6854    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  8  1  0  0  0  0
  8 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  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 23 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 23  1  0  0  0  0
 24 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 24  1  0  0  0  0
M  END
>  <Mol_ID> (736)
828

>  <Formula> (736)
C29H34Cl2N2O2

>  <MolWeight> (736)
513.49846

>  <Item Name> (736)
Loperamide hydrochloride

>  <Catalog Number> (736)
S2480

>  <Synonyms> (736)
N/A

>  <Target> (736)
Opioid Receptor

>  <Form> (736)
Hydrochloride

>  <URL> (736)
http://www.selleckchem.com/products/Loperamide-hydrochloride.html

>  <CAS Number> (736)
34552-83-5

$$$$
Manidipine.cdx
csChFnd80/07171813082D

 45 49  0  0  0  0  0  0  0  0999 V2000
    3.6289    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8951    0.0000 C   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
    6.0538    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    6.9927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    2.4207    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    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 N   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
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    2.4207    4.1927    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    9.0927    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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  4  5  1  0  0  0  0
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  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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   13.7332   -3.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9457   -2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1581   -3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0959   -9.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3084   -9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5208   -9.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7332   -9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9457   -9.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1581   -9.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8586   -4.1267    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4538   -4.1267    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
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 10 17  2  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 11 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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 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
M  END
>  <Mol_ID> (745)
841

>  <Formula> (745)
C22H30Cl2N4O6

>  <MolWeight> (745)
517.4028

>  <Item Name> (745)
Mitoxantrone 2HCl

>  <Catalog Number> (745)
S2485

>  <Synonyms> (745)
NSC-301739

>  <Target> (745)
Topoisomerase

>  <Form> (745)
Dihydrochloride

>  <URL> (745)
http://www.selleckchem.com/products/Mitoxantrone.html

>  <CAS Number> (745)
70476-82-3

$$$$
Moroxydine HCl.cdx
csChFnd80/07171813082D

 13 12  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 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
    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 N   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 N   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
    7.2578    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8014    1.3417    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
  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
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (746)
842

>  <Formula> (746)
C6H14ClN5O

>  <MolWeight> (746)
207.66126

>  <Item Name> (746)
Moroxydine HCl

>  <Catalog Number> (746)
S2486

>  <Synonyms> (746)
N/A

>  <Target> (746)
Antifection

>  <Form> (746)
Hydrochloride

>  <URL> (746)
http://www.selleckchem.com/products/Moroxydine-hydrochloride.html

>  <CAS Number> (746)
3160-91-6

$$$$
Mycophenolic acid.cdx
csChFnd80/07171813082D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918    5.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5903    0.0000 O   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
    8.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0495    4.1903    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
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
  7 14  2  0  0  0  0
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 12 17  2  0  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 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (747)
843

>  <Formula> (747)
C17H20O6

>  <MolWeight> (747)
320.3371

>  <Item Name> (747)
Mycophenolic acid

>  <Catalog Number> (747)
S2487

>  <Synonyms> (747)
Mycophenolate, RS-61443

>  <Target> (747)
Dehydrogenase

>  <Form> (747)
Free Base

>  <URL> (747)
http://www.selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

>  <CAS Number> (747)
24280-93-1

$$$$
nateglinide.cdx
csChFnd80/07171813082D

 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
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2903    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
    6.0496    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  2  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
    2.4249    2.1000    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
    6.0496    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0073    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  1  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
 13 16  1  1  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 15 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 15  1  0  0  0  0
M  END
>  <Mol_ID> (748)
844

>  <Formula> (748)
C19H27NO3

>  <MolWeight> (748)
317.42258

>  <Item Name> (748)
Nateglinide (Starlix)

>  <Catalog Number> (748)
S2489

>  <Synonyms> (748)
Starlix

>  <Target> (748)
Potassium Channel

>  <Form> (748)
Free Base

>  <URL> (748)
http://www.selleckchem.com/products/Nateglinide(Starlix).html

>  <CAS Number> (748)
105816-04-4

$$$$
Itraconazole.cdx
csChFnd80/07171813082D

 49 55  0  0  0  0  0  0  0  0999 V2000
   13.1467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6516    2.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.6321    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    1.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    2.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    3.6075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0239    0.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9152    1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.1897    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3184    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9540    4.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5589    4.1158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7360    5.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6898    3.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    2.1146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3676    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0287    7.1546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4114    6.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0470    8.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    9.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8096    8.5373    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
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  7  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
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 42 37  1  0  0  0  0
 42 43  1  0  0  0  0
 40 44  1  0  0  0  0
 36 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 45  1  0  0  0  0
M  END
>  <Mol_ID> (749)
845

>  <Formula> (749)
C35H38Cl2N8O4

>  <MolWeight> (749)
705.63342

>  <Item Name> (749)
Itraconazole (Sporanox)

>  <Catalog Number> (749)
S2476

>  <Synonyms> (749)
Sporanox

>  <Target> (749)
P450 (e.g. CYP17)

>  <Form> (749)
Free Base

>  <URL> (749)
http://www.selleckchem.com/products/Itraconazole(Sporanox).html

>  <CAS Number> (749)
84625-61-6

$$$$
Neostigmine bromide.cdx
csChFnd80/07171813082D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5049    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
    6.0664    1.3976    0.0000 C   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
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.2073    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
    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  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
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  2  0  0  0  0
  4 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> (750)
846

>  <Formula> (750)
C12H19BrN2O2

>  <MolWeight> (750)
303.19546

>  <Item Name> (750)
Neostigmine bromide (Prostigmin)

>  <Catalog Number> (750)
S2490

>  <Synonyms> (750)
Prostigmin, Vagostigmin

>  <Target> (750)
AChR

>  <Form> (750)
Bromide

>  <URL> (750)
http://www.selleckchem.com/products/Neostigmine-bromide(Prostigmin).html

>  <CAS Number> (750)
114-80-7

$$$$
Nitrendipine.cdx
csChFnd80/07171813082D

 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
    7.2662    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4744    8.3879    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6827    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.0024    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
    2.4249    2.1000    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
    3.6331    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
 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  2  0  0  0  0
 15 10  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
 14 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 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
 12 26  1  0  0  0  0
M  END
>  <Mol_ID> (751)
847

>  <Formula> (751)
C18H20N2O6

>  <MolWeight> (751)
360.3612

>  <Item Name> (751)
Nitrendipine

>  <Catalog Number> (751)
S2491

>  <Synonyms> (751)
N/A

>  <Target> (751)
Calcium Channel

>  <Form> (751)
Free Base

>  <URL> (751)
http://www.selleckchem.com/products/Nitrendipine.html

>  <CAS Number> (751)
39562-70-4

$$$$
Novobiocin sodium.cdx
csChFnd80/07171813082D

 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
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    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
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   14.5450    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
   16.9699    6.9951    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
   15.7575    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    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
    1.2124    0.6976    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
    0.0042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    9.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.1781    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3906    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5988    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 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  9  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  2  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  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
 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 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
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
 10 37  1  0  0  0  0
 15 38  2  0  0  0  0
 26 39  1  0  0  0  0
 25 40  1  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
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (752)
848

>  <Formula> (752)
C31H35N2NaO11

>  <MolWeight> (752)
634.60617

>  <Item Name> (752)
Novobiocin sodium (Albamycin)

>  <Catalog Number> (752)
S2492

>  <Synonyms> (752)
Albamycin, Cathomycin

>  <Target> (752)
Topoisomerase

>  <Form> (752)
Sodium Salt

>  <URL> (752)
www.selleckchem.com/products/Novobiocin-sodium(Albamycin).html

>  <CAS Number> (752)
1476-53-5

$$$$
Olanzapine.cdx
csChFnd80/07171813082D

 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
    3.2370    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.4544    1.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    2.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8146    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2423    4.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6384    4.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2458    6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4572    7.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    7.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4536    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625    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  1  0  0  0  0
 13 14  2  0  0  0  0
 14  3  1  0  0  0  0
 13 15  1  0  0  0  0
  4 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
M  END
>  <Mol_ID> (753)
849

>  <Formula> (753)
C17H20N4S

>  <MolWeight> (753)
312.4325

>  <Item Name> (753)
Olanzapine (Zyprexa)

>  <Catalog Number> (753)
S2493

>  <Synonyms> (753)
Zyprexa, Zalasta, Zolafren, Olzapin, Oferta, Zypadhera 

>  <Target> (753)
5-HT Receptor, Dopamine Receptor

>  <Form> (753)
Free Base

>  <URL> (753)
http://www.selleckchem.com/products/Olanzapine(Zyprexa).html

>  <CAS Number> (753)
132539-06-1

$$$$
Olopatadine HCl.cdx
csChFnd80/07171813082D

 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
    1.0263    7.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    5.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    5.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    5.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    5.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    7.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    7.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3534    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3534    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5616    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851    4.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9183    5.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9410    4.1666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2287    6.4757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7551    0.3500    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
  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  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  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
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (754)
850

>  <Formula> (754)
C21H24ClNO3

>  <MolWeight> (754)
373.87316

>  <Item Name> (754)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (754)
S2494

>  <Synonyms> (754)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (754)
Histamine Receptor

>  <Form> (754)
Hydrochloride

>  <URL> (754)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (754)
140462-76-6

$$$$
Ozagrel.cdx
csChFnd80/07171813082D

 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
    4.6322    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (755)
852

>  <Formula> (755)
C13H12N2O2

>  <MolWeight> (755)
228.24658

>  <Item Name> (755)
Ozagrel

>  <Catalog Number> (755)
S2496

>  <Synonyms> (755)
OKY 046 

>  <Target> (755)
Factor Xa

>  <Form> (755)
Free Base

>  <URL> (755)
http://www.selleckchem.com/products/Ozagrel.html

>  <CAS Number> (755)
82571-53-7

$$$$
Pancuronium bromide.cdx
csChFnd80/07171813082D

 47 50  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0580    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  2  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
    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  2  0  0  0  0  0  0  0  0  0
    8.4828    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0268    4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8497    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0580    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4579    8.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5243    9.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9555   10.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1597    8.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9448    4.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3448    4.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0448    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3448    6.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9448    6.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5448    4.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7224    5.2092    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    7.3224    5.2092    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
  3  4  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14 10  1  0  0  0  0
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 17 12  1  0  0  0  0
  1 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
 16 23  1  1  0  0  0
  2 24  1  6  0  0  0
  4 25  1  6  0  0  0
 10 26  1  6  0  0  0
 11 27  1  6  0  0  0
 18 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 18  1  0  0  0  0
 18 33  1  0  0  0  0
 24 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 22 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 23 40  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
 44 23  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
>  <Mol_ID> (756)
853

>  <Formula> (756)
C35H60Br2N2O4

>  <MolWeight> (756)
732.6699

>  <Item Name> (756)
Pancuronium dibromide

>  <Catalog Number> (756)
S2497

>  <Synonyms> (756)
N/A

>  <Target> (756)
AChR

>  <Form> (756)
di-quaternary-N bromide salt

>  <URL> (756)
http://www.selleckchem.com/products/Pancuronium-bromide(Pavulon).html

>  <CAS Number> (756)
15500-66-0

$$$$
GSK2126458.cdx
csChFnd80/07171813082D

 36 40  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.7000    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
    1.2124    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
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    6.3000    0.0000 O   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
    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
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  4 35  1  0  0  0  0
  2 36  1  0  0  0  0
M  END
>  <Mol_ID> (757)
854

>  <Formula> (757)
C25H17F2N5O3S

>  <MolWeight> (757)
505.4959864

>  <Item Name> (757)
Omipalisib (GSK2126458, GSK458)

>  <Catalog Number> (757)
S2658

>  <Synonyms> (757)
N/A 

>  <Target> (757)
PI3K, mTOR

>  <Form> (757)
Free Base

>  <URL> (757)
http://www.selleckchem.com/products/gsk2126458.html

>  <CAS Number> (757)
1086062-66-9 

$$$$
Quinine hydrochloride dihydrate.cdx
csChFnd80/07171813082D

 29 29  0  0  0  0  0  0  0  0999 V2000
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    1.2082    2.7976    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
    6.0538    4.1951    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
   10.8596    2.3188    0.0000 Cl  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  2  0  0  0  0
  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> (758)
855

>  <Formula> (758)
C20H29ClN2O4

>  <MolWeight> (758)
396.90826

>  <Item Name> (758)
Quinine hydrochloride dihydrate

>  <Catalog Number> (758)
S2502

>  <Synonyms> (758)
N/A

>  <Target> (758)
Potassium Channel

>  <Form> (758)
Hydrochloride dihydrate

>  <URL> (758)
http://www.selleckchem.com/products/Quinine-hydrochloride-dihydrate.html

>  <CAS Number> (758)
6119-47-7 

$$$$
Racecadotril.cdx
csChFnd80/07171813082D

 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
    9.6742    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    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> (759)
856

>  <Formula> (759)
C21H23NO4S

>  <MolWeight> (759)
385.47662

>  <Item Name> (759)
Racecadotril (Acetorphan)

>  <Catalog Number> (759)
S2503

>  <Synonyms> (759)
Acetorphan

>  <Target> (759)
Opioid Receptor

>  <Form> (759)
Free Base

>  <URL> (759)
http://www.selleckchem.com/products/Racecadotril(Acetorphan).html

>  <CAS Number> (759)
81110-73-8

$$$$
Ribavirin.cdx
csChFnd80/07171813082D

 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> (760)
857

>  <Formula> (760)
C8H12N4O5

>  <MolWeight> (760)
244.20468

>  <Item Name> (760)
Ribavirin (Copegus)

>  <Catalog Number> (760)
S2504

>  <Synonyms> (760)
Rebetol, Ribasphere, Vilona, Virazole 

>  <Target> (760)
Antifection

>  <Form> (760)
Free Base

>  <URL> (760)
http://www.selleckchem.com/products/Ribavirin(Copegus).html

>  <CAS Number> (760)
36791-04-5

$$$$
Salbutamol sulfate.cdx
csChFnd80/07171813082D

 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
    7.2831    3.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    5.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    6.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    6.1683    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    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
    9.7122    6.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    5.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    3.3634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.5757    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (761)
859

>  <Formula> (761)
C13H23NO7S

>  <MolWeight> (761)
337.38922

>  <Item Name> (761)
Salbutamol sulfate (Albuterol)

>  <Catalog Number> (761)
S2507

>  <Synonyms> (761)
Albuterol, Ventolin, Aerolin, Ventorlin, Asthalin, Asthavent

>  <Target> (761)
Adrenergic Receptor

>  <Form> (761)
Sulfate

>  <URL> (761)
http://www.selleckchem.com/products/Salbutamol-sulfate(Albuterol).html

>  <CAS Number> (761)
51022-70-9

$$$$
Scopolamine hydrobromide.cdx
csChFnd80/07171813082D

 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> (762)
860

>  <Formula> (762)
C17H22BrNO4

>  <MolWeight> (762)
384.26488

>  <Item Name> (762)
Scopolamine hydrobromide

>  <Catalog Number> (762)
S2508

>  <Synonyms> (762)
N/A

>  <Target> (762)
AChR

>  <Form> (762)
Hydrobromide

>  <URL> (762)
http://www.selleckchem.com/products/Scopolamine-hydrobromide.html

>  <CAS Number> (762)
114-49-8

$$$$
Sotalol HCl.cdx
csChFnd80/07171813082D

 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
    2.0951    2.7876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (763)
861

>  <Formula> (763)
C12H21ClN2O3S

>  <MolWeight> (763)
308.82474

>  <Item Name> (763)
Sotalol HCl

>  <Catalog Number> (763)
S2509

>  <Synonyms> (763)
Sotalex

>  <Target> (763)
Adrenergic Receptor

>  <Form> (763)
Hydrochloride

>  <URL> (763)
http://www.selleckchem.com/products/Sotalol-hydrochloride(Betapace).html

>  <CAS Number> (763)
959-24-0

$$$$
Spectinomycin  HCl.cdx
csChFnd80/07171813082D

 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
    4.8413    6.2417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    6.9417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    4.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    8.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    6.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    4.2313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    4.2313    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
  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
 11 15  2  0  0  0  0
  9 16  1  1  0  0  0
  8 17  1  1  0  0  0
  3 18  1  1  0  0  0
  2 19  1  1  0  0  0
  1 20  1  1  0  0  0
  6 21  1  6  0  0  0
  5 22  1  6  0  0  0
 13 23  1  6  0  0  0
  4 24  1  1  0  0  0
 20 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
>  <Mol_ID> (764)
862

>  <Formula> (764)
C14H26Cl2N2O7

>  <MolWeight> (764)
405.27144

>  <Item Name> (764)
Spectinomycin 2HCl

>  <Catalog Number> (764)
S2510

>  <Synonyms> (764)
Actinospectacin

>  <Target> (764)
Antifection

>  <Form> (764)
dihydrochloride

>  <URL> (764)
www.selleckchem.com/products/Spectinomycin--hydrochloride.html

>  <CAS Number> (764)
21736-83-4

$$$$
Sulfadoxine.cdx
csChFnd80/07171813082D

 21 22  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
    6.0538    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1438    4.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    1.5851    0.0000 O   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
    7.2620    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  8 11  2  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
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (765)
863

>  <Formula> (765)
C12H14N4O4S

>  <MolWeight> (765)
310.32896

>  <Item Name> (765)
Sulfadoxine (Sulphadoxine)

>  <Catalog Number> (765)
S2511

>  <Synonyms> (765)
Sulphadoxine

>  <Target> (765)
Antifection

>  <Form> (765)
Free Base

>  <URL> (765)
http://www.selleckchem.com/products/Sulfadoxine(Sulphadoxine).html

>  <CAS Number> (765)
2447-57-6

$$$$
Terbinafine hydrochloride.cdx
csChFnd80/07171813082D

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5156    2.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7389    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
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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  2  0  0  0  0
 10  4  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  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (766)
864

>  <Formula> (766)
C21H26ClN

>  <MolWeight> (766)
327.89084

>  <Item Name> (766)
Terbinafine hydrochloride (Lamisil)

>  <Catalog Number> (766)
S2557

>  <Synonyms> (766)
Zabel

>  <Target> (766)
Antifection

>  <Form> (766)
Hydrochloride

>  <URL> (766)
www.selleckchem.com/products/Terbinafine-hydrochloride(Zabel).html

>  <CAS Number> (766)
78628-80-5

$$$$
Vardenafil hydrochloride trihydrate.cdx
csChFnd80/07171813082D

 38 37  0  0  0  0  0  0  0  0999 V2000
    4.8518    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    3.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    4.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    2.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311    3.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4849    5.5392    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    4.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    3.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    2.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1222    3.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9098    5.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3304    5.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5429    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    4.8368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3304    6.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    9.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0868    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9097    6.2368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0868    7.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5179    3.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5179    8.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8826    3.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3137    2.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6845    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4338    3.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7338    2.5361    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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  2  7  1  0  0  0  0
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 10 11  2  0  0  0  0
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 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
  9 17  2  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  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 18  1  0  0  0  0
 25 27  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 24  2  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (767)
865

>  <Formula> (767)
C23H39ClN6O7S

>  <MolWeight> (767)
579.10976

>  <Item Name> (767)
Vardenafil Hydrochloride Trihydrate (Vivanza

>  <Catalog Number> (767)
S2515

>  <Synonyms> (767)
Levitra 

>  <Target> (767)
PDE

>  <Form> (767)
Hydrochloride trihydrate

>  <URL> (767)
http://www.selleckchem.com/products/Vardenafil(Vivanza).html

>  <CAS Number> (767)
224785-90-4

$$$$
Maprotiline hydrochloride.cdx
csChFnd80/07171813082D

 22 24  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
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    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 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
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9624    1.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9624    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5098    2.5083    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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  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
 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> (768)
866

>  <Formula> (768)
C20H24ClN

>  <MolWeight> (768)
313.86426

>  <Item Name> (768)
Maprotiline hydrochloride

>  <Catalog Number> (768)
S2517

>  <Synonyms> (768)
Deprilept, Ludiomil, Psymion

>  <Target> (768)
Reuptake inhibitor

>  <Form> (768)
Hydrochloride

>  <URL> (768)
http://www.selleckchem.com/products/Maprotiline-hydrochloride.html

>  <CAS Number> (768)
10347-81-6

$$$$
Naphazoline hydrochloride.cdx
csChFnd80/07171813082D

 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> (769)
867

>  <Formula> (769)
C14H15ClN2

>  <MolWeight> (769)
246.7353

>  <Item Name> (769)
Naphazoline hydrochloride (Naphcon)

>  <Catalog Number> (769)
S2519

>  <Synonyms> (769)
Naphcon, Albalon

>  <Target> (769)
Adrenergic Receptor

>  <Form> (769)
Hydrochloride

>  <URL> (769)
http://www.selleckchem.com/products/Naphazoline-hydrochloride-Naphcon.html

>  <CAS Number> (769)
550-99-2

$$$$
Epinephrine bitartrate.cdx
csChFnd80/07171813082D

 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> (770)
868

>  <Formula> (770)
C13H19NO9

>  <MolWeight> (770)
333.29126

>  <Item Name> (770)
Epinephrine bitartrate (Adrenalinium)

>  <Catalog Number> (770)
S2521

>  <Synonyms> (770)
D02149, Adrenalinetartrate, Adrenaline tatrate, Epinephrine Acid Tartrate 

>  <Target> (770)
Adrenergic Receptor

>  <Form> (770)
tartrate

>  <URL> (770)
http://www.selleckchem.com/products/Epinephrine-bitartrate-Adrenalinium.html

>  <CAS Number> (770)
51-42-3

$$$$
L-Adrenaline.cdx
csChFnd80/07171813082D

 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> (771)
869

>  <Formula> (771)
C9H13NO3

>  <MolWeight> (771)
183.20442

>  <Item Name> (771)
L-Adrenaline (Epinephrine)

>  <Catalog Number> (771)
S2522

>  <Synonyms> (771)
Adrenaline, d-Adrenaline, Adnephrine, Adrenalin, Chelafrin, Epinefrina, Epinephran, Epirenan, Exadri 

>  <Target> (771)
Adrenergic Receptor

>  <Form> (771)
Free Base

>  <URL> (771)
http://www.selleckchem.com/products/L-Adrenaline-Epinephrine.html

>  <CAS Number> (771)
51-43-4

$$$$
Phenytoin sodium.cdx
csChFnd80/07171813082D

 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
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    0.0000    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  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> (772)
870

>  <Formula> (772)
C15H11N2NaO2

>  <MolWeight> (772)
274.24981

>  <Item Name> (772)
Phenytoin sodium (Dilantin)

>  <Catalog Number> (772)
S2524

>  <Synonyms> (772)
Aleviatin, Diphenylhydantoin sodium, Eptoin, Phenytoin soluble, Prompt; Phenytek 

>  <Target> (772)
Sodium Channel

>  <Form> (772)
Sodium Salt

>  <URL> (772)
http://www.selleckchem.com/products/Phenytoin-sodium-Dilantin.html

>  <CAS Number> (772)
630-93-3

$$$$
Methacycline hydrochloride.cdx
csChFnd80/07171813082D

 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
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    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
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    8.4871    7.9722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4971    8.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  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  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> (773)
872

>  <Formula> (773)
C22H23ClN2O8

>  <MolWeight> (773)
478.87962

>  <Item Name> (773)
Methacycline hydrochloride (Physiomycine)

>  <Catalog Number> (773)
S2527

>  <Synonyms> (773)
Adriamicina, Ciclobiotic, Germiciclin, Londomycin, Metacyclin hydrochloride, Metadomus, Methacycline 

>  <Target> (773)
Antifection

>  <Form> (773)
Hydrochloride 

>  <URL> (773)
http://www.selleckchem.com/products/Methacycline-hydrochloride-Physiomycine.html

>  <CAS Number> (773)
3963-95-9

$$$$
Dopamine hydrochloride.cdx
csChFnd80/07171813082D

 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> (774)
874

>  <Formula> (774)
C8H12ClNO2

>  <MolWeight> (774)
189.63938

>  <Item Name> (774)
Dopamine hydrochloride (Inotropin)

>  <Catalog Number> (774)
S2529

>  <Synonyms> (774)
ASL 279, Cardiosteril, Dopamine Fresenius, Dopastat, Intropin, Rascordin, Revivan, Tensamin 

>  <Target> (774)
Dopamine Receptor

>  <Form> (774)
Hydrochloride 

>  <URL> (774)
http://www.selleckchem.com/products/Dopamine-hydrochloride-Inotropin.html

>  <CAS Number> (774)
62-31-7

$$$$
7-Aminocephalosporanic acid.cdx
csChFnd80/07171813082D

 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> (775)
875

>  <Formula> (775)
C10H12N2O5S

>  <MolWeight> (775)
272.27768

>  <Item Name> (775)
7-Aminocephalosporanic acid

>  <Catalog Number> (775)
S2530

>  <Synonyms> (775)
7-ACA 

>  <Target> (775)
Others

>  <Form> (775)
Free Base

>  <URL> (775)
http://www.selleckchem.com/products/7-Aminocephalosporanic-acid.html

>  <CAS Number> (775)
957-68-6

$$$$
Asaraldehyde.cdx
csChFnd80/07171813082D

 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> (776)
876

>  <Formula> (776)
C10H12O4

>  <MolWeight> (776)
196.19988

>  <Item Name> (776)
Asaraldehyde (Asaronaldehyde)

>  <Catalog Number> (776)
S2531

>  <Synonyms> (776)
Asaronaldehyde, Asarylaldehyde, NSC 89299 

>  <Target> (776)
COX

>  <Form> (776)
Free Base

>  <URL> (776)
http://www.selleckchem.com/products/Asaraldehyde-Asaronaldehyde.html

>  <CAS Number> (776)
4460-86-0 

$$$$
L-Ascorbyl 6-palmitate.cdx
csChFnd80/07171813082D

 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> (777)
877

>  <Formula> (777)
C22H38O7

>  <MolWeight> (777)
414.53292

>  <Item Name> (777)
L-Ascorbyl 6-palmitate

>  <Catalog Number> (777)
S2532

>  <Synonyms> (777)
Ascorbic palmitate, Ascorbyl monopalmitate, Ascorbyl palmitate, E 304, Grindox 562, L-Ascorbyl 6-pal 

>  <Target> (777)
Others

>  <Form> (777)
Free Base

>  <URL> (777)
http://www.selleckchem.com/products/L-Ascorbyl-6-palmitate.html

>  <CAS Number> (777)
137-66-6

$$$$
Ritodrine hydrochloride.cdx
csChFnd80/07171813082D

 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> (778)
878

>  <Formula> (778)
C17H22ClNO3

>  <MolWeight> (778)
323.81448

>  <Item Name> (778)
Ritodrine hydrochloride (Yutopar)

>  <Catalog Number> (778)
S2533

>  <Synonyms> (778)
DU 21220; Miolene; NSC 291565

>  <Target> (778)
Adrenergic Receptor

>  <Form> (778)
Hydrochloride

>  <URL> (778)
www.selleckchem.com/products/Ritodrine-hydrochloride-Yutopar.html

>  <CAS Number> (778)
23239-51-2

$$$$
Isoconazole nitrate.cdx
csChFnd80/07171813082D

 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
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   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> (779)
879

>  <Formula> (779)
C18H15Cl4N3O4

>  <MolWeight> (779)
479.1414

>  <Item Name> (779)
Isoconazole nitrate (Travogen)

>  <Catalog Number> (779)
S2534

>  <Synonyms> (779)
Adestan G 100, Fazol, Gyno-Travogen, R 15454, Travogyn 

>  <Target> (779)
Antifection

>  <Form> (779)
Nitrate 

>  <URL> (779)
http://www.selleckchem.com/products/Isoconazole-nitrate-Travogen.html

>  <CAS Number> (779)
24168-96-5

$$$$
Econazole nitrate.cdx
csChFnd80/07171813082D

 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
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    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
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    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
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   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
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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 14 15  1  0  0  0  0
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 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> (780)
880

>  <Formula> (780)
C18H16Cl3N3O4

>  <MolWeight> (780)
444.69634

>  <Item Name> (780)
Econazole nitrate (Spectazole)

>  <Catalog Number> (780)
S2535

>  <Synonyms> (780)
Ecostatin, Epi-Pevaryl, Gyno-Pevaryl, Gynoryl, Ifenec, Micogin, NSC 243115, Palavale, Pevaryl 

>  <Target> (780)
Calcium Channel

>  <Form> (780)
Nitrate

>  <URL> (780)
http://www.selleckchem.com/products/Econazole-nitrate-Spectazole.html

>  <CAS Number> (780)
24169-02-6

$$$$
Secnidazole.cdx
csChFnd80/07171813082D

 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> (781)
882

>  <Formula> (781)
C7H11N3O3

>  <MolWeight> (781)
185.18054

>  <Item Name> (781)
Secnidazole (Flagentyl)

>  <Catalog Number> (781)
S2537

>  <Synonyms> (781)
PM 185184, RP 14539, Sindose, Secnil

>  <Target> (781)
Antifection

>  <Form> (781)
Free Base

>  <URL> (781)
http://www.selleckchem.com/products/Secnidazole-Flagentyl.html

>  <CAS Number> (781)
3366-95-8

$$$$
untitled.cdx
csChFnd80/07171813082D

 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
    4.8951    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    4.8801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1335    4.7666    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
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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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  8 13  2  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 23 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 23  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (782)
883

>  <Formula> (782)
C19H18ClN3O5S

>  <MolWeight> (782)
435.88132

>  <Item Name> (782)
Rivaroxaban (Xarelto)

>  <Catalog Number> (782)
S3002

>  <Synonyms> (782)
N/A 

>  <Target> (782)
Factor Xa

>  <Form> (782)
Free Base

>  <URL> (782)
http://www.selleckchem.com/products/Rivaroxaban.html

>  <CAS Number> (782)
366789-02-8

$$$$
fty720.cdx
csChFnd80/07171813082D

 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
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   18.1950    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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> (783)
884

>  <Formula> (783)
C19H34ClNO2

>  <MolWeight> (783)
343.93176

>  <Item Name> (783)
Fingolimod (FTY720) HCl

>  <Catalog Number> (783)
S5002

>  <Synonyms> (783)
Gilenia 

>  <Target> (783)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (783)
Hydrochloride

>  <URL> (783)
http://www.selleckchem.com/products/FTY720.html

$$$$
P.cdx
csChFnd80/07171813082D

 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
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    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
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>  <Mol_ID> (784)
885

>  <Formula> (784)
C43H68ClNO11

>  <MolWeight> (784)
810.45312

>  <Item Name> (784)
Pimecrolimus

>  <Catalog Number> (784)
S5004

>  <Synonyms> (784)
Elidel, SDZ-ASM-981

>  <Target> (784)
Others

>  <Form> (784)
Free Base

>  <URL> (784)
http://www.selleckchem.com/products/Pimecrolimus.html

>  <CAS Number> (784)
137071-32-0

$$$$
ly404039.cdx
csChFnd80/07171813082D

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C7H9NO6S

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LY2140023 (LY404039)

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S6001

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N/A 

>  <Target> (785)
GluR

>  <Form> (785)
Free Base

>  <URL> (785)
http://www.selleckchem.com/products/LY2140023(LY404039).html

>  <CAS Number> (785)
635318-11-5

$$$$
Nxy-059.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (786)
887

>  <Formula> (786)
C11H13NNa2O7S2

>  <MolWeight> (786)
381.33296

>  <Item Name> (786)
NXY-059 (Disufenton sodium)

>  <Catalog Number> (786)
S6002

>  <Synonyms> (786)
Cerovive, Disufenton Sodium

>  <Target> (786)
Others

>  <Form> (786)
Disodium salt

>  <URL> (786)
http://www.selleckchem.com/products/NXY-059.html

>  <CAS Number> (786)
168021-79-2

$$$$
untitled.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (787)
888

>  <Formula> (787)
C15H9FN2O3

>  <MolWeight> (787)
284.2419632

>  <Item Name> (787)
PTC124 (Ataluren)

>  <Catalog Number> (787)
S6003

>  <Synonyms> (787)
N/A 

>  <Target> (787)
CFTR

>  <Form> (787)
Free Base

>  <URL> (787)
http://www.selleckchem.com/products/PTC124.html

>  <CAS Number> (787)
775304-57-9

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (788)
889

>  <Formula> (788)
C19H12F4N4O2

>  <MolWeight> (788)
404.3177928

>  <Item Name> (788)
VX-702

>  <Catalog Number> (788)
S6005

>  <Synonyms> (788)
N/A

>  <Target> (788)
p38 MAPK 

>  <Form> (788)
Free Base

>  <URL> (788)
http://www.selleckchem.com/products/VX-702.html

>  <CAS Number> (788)
745833-23-2

$$$$
NUTRESTORE (glutamine).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (789)
890

>  <Formula> (789)
C5H10N2O3

>  <MolWeight> (789)
146.1445

>  <Item Name> (789)
L-Glutamine

>  <Catalog Number> (789)
S1749

>  <Synonyms> (789)
N/A

>  <Target> (789)
Others

>  <Form> (789)
Free Base

>  <URL> (789)
http://www.selleckchem.com/products/Glutamine.html

>  <CAS Number> (789)
56-85-9

$$$$
CP-690550 citrate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (790)
891

>  <Formula> (790)
C22H28N6O8

>  <MolWeight> (790)
504.49312

>  <Item Name> (790)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (790)
S5001

>  <Synonyms> (790)
N/A 

>  <Target> (790)
JAK

>  <Form> (790)
Citrate

>  <URL> (790)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (790)
540737-29-9

$$$$
Toremifene Citrate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (791)
892

>  <Formula> (791)
C32H36ClNO8

>  <MolWeight> (791)
598.08314

>  <Item Name> (791)
Toremifene Citrate (Fareston, Acapodene)

>  <Catalog Number> (791)
S1776

>  <Synonyms> (791)
Fareston, Acapodene

>  <Target> (791)
Estrogen/progestogen Receptor

>  <Form> (791)
Citrate 

>  <URL> (791)
www.selleckchem.com/products/Toremifene-Citrate(Fareston).html

>  <CAS Number> (791)
89778-27-8

$$$$
CAL-1011.cdx
csChFnd80/07171813082D

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PI3K 

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870281-82-6

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PLK 

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Free Base

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http://www.selleckchem.com/products/BI6727-Volasertib.html

>  <CAS Number> (793)
755038-65-4

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Ketanserin.cdx
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R 41468, Vulketan Gel

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http://www.selleckchem.com/products/Ketanserin-Vulketan-Gel.html

>  <CAS Number> (794)
74050-98-9

$$$$
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900185-02-6

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 14 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (796)
897

>  <Formula> (796)
C14H22N4O4S

>  <MolWeight> (796)
342.41388

>  <Item Name> (796)
TAME

>  <Catalog Number> (796)
S2225 

>  <Synonyms> (796)
N/A

>  <Target> (796)
APC

>  <Form> (796)
Free Base

>  <URL> (796)
http://www.selleckchem.com/products/TAME.html

>  <CAS Number> (796)
901-47-3

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/07171813082D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.9073    4.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2073    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9073    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3073    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3073    4.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    3.3668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1073    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5073    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2097    3.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6146    3.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3171    4.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8098    5.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7024    7.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    8.2250    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  2  0  0  0  0
 10 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
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22  4  1  0  0  0  0
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 23 24  2  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> (797)
898

>  <Formula> (797)
C20H16ClN5O3

>  <MolWeight> (797)
409.82574

>  <Item Name> (797)
Telatinib (BAY 57-9352)

>  <Catalog Number> (797)
S2231

>  <Synonyms> (797)
N/A 

>  <Target> (797)
VEGFR, PDGFR, c-Kit

>  <Form> (797)
Free Base

>  <URL> (797)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

>  <CAS Number> (797)
332012-40-5

$$$$
Neohesperidin.cdx
csChFnd80/07171813082D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.6143    3.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2516    5.9279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4640    5.2279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4640    3.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    3.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6723    5.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    1.7328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6723    7.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8847    8.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0971    7.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0971    5.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8847    5.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8267    1.7328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (798)
899

>  <Formula> (798)
C28H34O15

>  <MolWeight> (798)
610.56056

>  <Item Name> (798)
Neohesperidin

>  <Catalog Number> (798)
S2332

>  <Synonyms> (798)
N/A

>  <Target> (798)
ROS

>  <Form> (798)
Free Base

>  <URL> (798)
http://www.selleckchem.com/products/Neohesperidin.html

>  <CAS Number> (798)
13241-33-3 

$$$$
Lomefloxacin hydrochloride.cdx
csChFnd80/07171813082D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8413    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> (799)
900

>  <Formula> (799)
C17H20ClF2N3O3

>  <MolWeight> (799)
387.8088064

>  <Item Name> (799)
Lomefloxacin hydrochloride (Maxaquin)

>  <Catalog Number> (799)
S2539

>  <Synonyms> (799)
Maxaquin, Okacyn, Uniquin

>  <Target> (799)
Antifection

>  <Form> (799)
Hydrochloride 

>  <URL> (799)
http://www.selleckchem.com/products/Lomefloxacin-hydrochloride-Maxaquin.html

>  <CAS Number> (799)
98079-52-8

$$$$
Clomipramine hydrochloride.cdx
csChFnd80/07171813082D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (800)
901

>  <Formula> (800)
C19H24Cl2N2

>  <MolWeight> (800)
351.31326

>  <Item Name> (800)
Clomipramine hydrochloride (Anafranil)

>  <Catalog Number> (800)
S2541

>  <Synonyms> (800)
Anafranil

>  <Target> (800)
5-HT Receptor

>  <Form> (800)
Hydrochloride

>  <URL> (800)
http://www.selleckchem.com/products/Clomipramine-hydrochloride-Anafranil.html

>  <CAS Number> (800)
17321-77-6

$$$$
Ceftiofur hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (801)
903

>  <Formula> (801)
C19H18ClN5O7S3

>  <MolWeight> (801)
560.02352

>  <Item Name> (801)
Ceftiofur hydrochloride 

>  <Catalog Number> (801)
S2543

>  <Synonyms> (801)
N/A

>  <Target> (801)
Antifection

>  <Form> (801)
Hydrochloride 

>  <URL> (801)
http://www.selleckchem.com/products/Ceftiofur-hydrochloride.html

>  <CAS Number> (801)
103980-44-5

$$$$
Acetanilide.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (802)
904

>  <Formula> (802)
C8H9NO

>  <MolWeight> (802)
135.16316

>  <Item Name> (802)
Acetanilide (Antifebrin)

>  <Catalog Number> (802)
S2538

>  <Synonyms> (802)
N-phenylacetamide, Acetanil, Acetamidobenzene, Acetylaniline, NSC 7636 

>  <Target> (802)
Others

>  <Form> (802)
Free Base

>  <URL> (802)
http://www.selleckchem.com/products/Acetanilide-Antifebrin.html

>  <CAS Number> (802)
103-84-4

$$$$
Phenformin hydrochloride.cdx
csChFnd80/07171813082D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (803)
905

>  <Formula> (803)
C10H16ClN5

>  <MolWeight> (803)
241.72054

>  <Item Name> (803)
Phenformin hydrochloride 

>  <Catalog Number> (803)
S2542

>  <Synonyms> (803)
N/A

>  <Target> (803)
AMPK

>  <Form> (803)
Hydrochloride 

>  <URL> (803)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

>  <CAS Number> (803)
834-28-6

$$$$
AZD5438.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (804)
908

>  <Formula> (804)
C18H21N5O2S

>  <MolWeight> (804)
371.45664

>  <Item Name> (804)
AZD5438

>  <Catalog Number> (804)
S2621

>  <Synonyms> (804)
N/A 

>  <Target> (804)
CDK

>  <Form> (804)
Free Base

>  <URL> (804)
http://www.selleckchem.com/products/AZD5438.html

>  <CAS Number> (804)
602306-29-6 

$$$$
CK-1827452.cdx
csChFnd80/07171813082D

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909

>  <Formula> (805)
C20H24FN5O3

>  <MolWeight> (805)
401.4346632

>  <Item Name> (805)
Omecamtiv mecarbil (CK-1827452)

>  <Catalog Number> (805)
S2623

>  <Synonyms> (805)
CK-1827452, CK1827452 

>  <Target> (805)
ATPase

>  <Form> (805)
Free Base

>  <URL> (805)
http://www.selleckchem.com/products/Omecamtiv-mecarbil-CK-1827452.html

>  <CAS Number> (805)
873697-71-3

$$$$
MG132.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (806)
910

>  <Formula> (806)
C26H41N3O5

>  <MolWeight> (806)
475.62084

>  <Item Name> (806)
MG-132

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S2619

>  <Synonyms> (806)
N/A 

>  <Target> (806)
Proteasome

>  <Form> (806)
Free Base

>  <URL> (806)
http://www.selleckchem.com/products/MG132.html

>  <CAS Number> (806)
133407-82-6 

$$$$
OSI-027.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (807)
911

>  <Formula> (807)
C21H22N6O3

>  <MolWeight> (807)
406.43778

>  <Item Name> (807)
OSI-027

>  <Catalog Number> (807)
S2624

>  <Synonyms> (807)
N/A 

>  <Target> (807)
mTOR

>  <Form> (807)
Free Base

>  <URL> (807)
http://www.selleckchem.com/products/OSI027.html

>  <CAS Number> (807)
936890-98-1

$$$$
PP121.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (808)
912

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C17H17N7

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PP-121

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S2622

>  <Synonyms> (808)
N/A

>  <Target> (808)
DNA-PK, mTOR, PDGF

>  <Form> (808)
Free Base

>  <URL> (808)
http://www.selleckchem.com/products/PP121.html

>  <CAS Number> (808)
1092788-83-4

$$$$
Trospium chloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (809)
913

>  <Formula> (809)
C25H30ClNO3

>  <MolWeight> (809)
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>  <Item Name> (809)
Trospium chloride (Sanctura)

>  <Catalog Number> (809)
S2549

>  <Synonyms> (809)
Sanctura

>  <Target> (809)
AChR

>  <Form> (809)
quaternary-N chloride salt

>  <URL> (809)
http://www.selleckchem.com/products/Trospium-chloride-Sanctura.html

>  <CAS Number> (809)
10405-02-4

$$$$
Tolterodine tartrate.cdx
csChFnd80/07171813082D

 34 34  0  0  0  0  0  0  0  0999 V2000
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 29 32  1  6  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (810)
914

>  <Formula> (810)
C26H37NO7

>  <MolWeight> (810)
475.57448

>  <Item Name> (810)
Tolterodine tartrate (Detrol LA)

>  <Catalog Number> (810)
S2550

>  <Synonyms> (810)
Detrol LA, Kabi-2234, PNU-200583E 

>  <Target> (810)
AChR

>  <Form> (810)
Tartrate 

>  <URL> (810)
http://www.selleckchem.com/products/Tolterodine-tartrate-Detrol-LA.html

>  <CAS Number> (810)
124937-52-6

$$$$
WP1130.cdx
csChFnd80/07171813082D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (811)
915

>  <Formula> (811)
C19H18BrN3O

>  <MolWeight> (811)
384.26972

>  <Item Name> (811)
Degrasyn (WP1130)

>  <Catalog Number> (811)
S2243

>  <Synonyms> (811)
N/A

>  <Target> (811)
DUB, Bcr-Abl

>  <Form> (811)
Free Base

>  <URL> (811)
http://www.selleckchem.com/products/WP1130.html

>  <CAS Number> (811)
856243-80-6

$$$$
Clomifene citrate.cdx
csChFnd80/07171813082D

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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (812)
916

>  <Formula> (812)
C32H36ClNO8

>  <MolWeight> (812)
598.08314

>  <Item Name> (812)
Clomifene citrate (Serophene)

>  <Catalog Number> (812)
S2561

>  <Synonyms> (812)
Clomid, Serophene, Milophene

>  <Target> (812)
Estrogen/progestogen Receptor

>  <Form> (812)
Citrate

>  <URL> (812)
http://www.selleckchem.com/products/Clomifene-citrate-Serophene.html

>  <CAS Number> (812)
50-41-9

$$$$
Cloxacillin sodium.cdx
csChFnd80/07171813082D

 32 33  0  0  0  0  0  0  0  0999 V2000
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 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
  2 24  2  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  5 27  1  6  0  0  0
 27 28  2  0  0  0  0
 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> (813)
917

>  <Formula> (813)
C19H19ClN3NaO6S

>  <MolWeight> (813)
475.87843

>  <Item Name> (813)
Cloxacillin sodium

>  <Catalog Number> (813)
S2564

>  <Synonyms> (813)
Cloxapen, Cloxacap, Orbenin

>  <Target> (813)
Antifection

>  <Form> (813)
Sodium Salt & hydrate

>  <URL> (813)
http://www.selleckchem.com/products/Cloxacillin-sodium-Cloxacap.html

>  <CAS Number> (813)
7081-44-9

$$$$
Niacin(acid).cdx
csChFnd80/07171813082D

  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> (814)
918

>  <Formula> (814)
C6H5NO2

>  <MolWeight> (814)
123.1094

>  <Item Name> (814)
Niacin (Nicotinic acid)

>  <Catalog Number> (814)
S1744 

>  <Synonyms> (814)
Vitamin B3, Niacinamide, Nicotinic acid

>  <Target> (814)
Vitamin

>  <Form> (814)
Free Base

>  <URL> (814)
http://www.selleckchem.com/products/Niacin(Nicotinic-acid).html

>  <CAS Number> (814)
59-67-6

$$$$
Cortisone acetate.cdx
csChFnd80/07171813082D

 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
    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
    3.6373    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> (815)
919

>  <Formula> (815)
C23H30O6

>  <MolWeight> (815)
402.4807

>  <Item Name> (815)
Cortisone acetate (Cortone)

>  <Catalog Number> (815)
S2559

>  <Synonyms> (815)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (815)
Glucocorticoid Receptor

>  <Form> (815)
Free Base

>  <URL> (815)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

>  <CAS Number> (815)
50-04-4

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/07171813082D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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 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
    4.8455    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2181    2.7854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (816)
920

>  <Formula> (816)
C8H9ClN4

>  <MolWeight> (816)
196.63686

>  <Item Name> (816)
Hydralazine hydrochloride

>  <Catalog Number> (816)
S2562

>  <Synonyms> (816)
Apresoline

>  <Target> (816)
Others

>  <Form> (816)
Hydrochloride

>  <URL> (816)
http://www.selleckchem.com/products/Hydralazine-hydrochloride.html

>  <CAS Number> (816)
304-20-1

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/07171813082D

 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> (817)
921

>  <Formula> (817)
C11H18ClNO3

>  <MolWeight> (817)
247.71852

>  <Item Name> (817)
Isoprenaline hydrochloride

>  <Catalog Number> (817)
S2566

>  <Synonyms> (817)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (817)
Adrenergic Receptor

>  <Form> (817)
Hydrochloride

>  <URL> (817)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

>  <CAS Number> (817)
51-30-9

$$$$
BKM-120.cdx
csChFnd80/07171813082D

 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
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  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
  8 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  8  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 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
 18 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 18  1  0  0  0  0
M  END
>  <Mol_ID> (818)
923

>  <Formula> (818)
C18H21F3N6O2

>  <MolWeight> (818)
410.3935496

>  <Item Name> (818)
BKM120 (NVP-BKM120)

>  <Catalog Number> (818)
S2247 

>  <Synonyms> (818)
N/A 

>  <Target> (818)
PI3K

>  <Form> (818)
Free Base

>  <URL> (818)
http://www.selleckchem.com/products/BKM-120.html

>  <CAS Number> (818)
944396-07-0

$$$$
CX-4945.cdx
csChFnd80/07171813082D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4927    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
    2.4249    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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PKC

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PDE

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>  <CAS Number> (820)
801312-28-7

$$$$
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csChFnd80/07171813082D

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GW-3965

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Liver X Receptor

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hydrochloride

>  <URL> (821)
http://www.selleckchem.com/products/gw3965.html

>  <CAS Number> (821)
405911-17-3

$$$$
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700874-72-2

$$$$
NPS-2143.cdx
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1001350-96-4

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AM1241

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Cannabinoid Receptor

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Free Base

>  <URL> (853)
http://www.selleckchem.com/products/AM-1241.html

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444912-48-5

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IL Receptor

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Tosylate

>  <URL> (854)
http://www.selleckchem.com/products/suplatast-tosilate.html

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94055-76-2

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601514-19-6

$$$$
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937174-76-0

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 10 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  4 17  1  6  0  0  0
  5 18  1  6  0  0  0
  3 19  1  6  0  0  0
 10 20  1  6  0  0  0
 12 21  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 28 13  1  0  0  0  0
 27 29  2  0  0  0  0
 25 30  1  1  0  0  0
  7 30  1  0  0  0  0
 28 31  1  1  0  0  0
M  END
>  <Mol_ID> (860)
970

>  <Formula> (860)
C20H24O9

>  <MolWeight> (860)
408.39916

>  <Item Name> (860)
Ginkgolide A

>  <Catalog Number> (860)
S2026

>  <Synonyms> (860)
BN52020

>  <Target> (860)
GABA Receptor

>  <Form> (860)
Free Base

>  <URL> (860)
http://www.selleckchem.com/products/ginkgolide-a.html

>  <CAS Number> (860)
15291-75-5

$$$$
Curcumin.cdx
csChFnd80/07171813082D

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
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 17 20  2  0  0  0  0
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M  END
>  <Mol_ID> (861)
971

>  <Formula> (861)
C21H20O6

>  <MolWeight> (861)
368.3799

>  <Item Name> (861)
Curcumin

>  <Catalog Number> (861)
S1848

>  <Synonyms> (861)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (861)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (861)
Free Base

>  <URL> (861)
http://www.selleckchem.com/products/Curcumin.html

>  <CAS Number> (861)
458-37-7

$$$$
Ciproxifan.cdx
csChFnd80/07171813082D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (862)
972

>  <Formula> (862)
C20H22N2O6

>  <MolWeight> (862)
386.39848

>  <Item Name> (862)
Ciproxifan Maleate

>  <Catalog Number> (862)
S2813

>  <Synonyms> (862)
FUB 359

>  <Target> (862)
Histamine Receptor 

>  <Form> (862)
Maleate

>  <URL> (862)
http://www.selleckchem.com/products/ciproxifan.html

>  <CAS Number> (862)
184025-19-2

$$$$
LY2603618.cdx
csChFnd80/07171813082D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (863)
973

>  <Formula> (863)
C18H22BrN5O3

>  <MolWeight> (863)
436.30298

>  <Item Name> (863)
LY2603618 (IC-83)

>  <Catalog Number> (863)
S2626

>  <Synonyms> (863)
N/A 

>  <Target> (863)
Chk

>  <Form> (863)
Free Base

>  <URL> (863)
http://www.selleckchem.com/products/LY2603618-IC-83.html

>  <CAS Number> (863)
911222-45-2

$$$$
Neomycin sulfate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (864)
974

>  <Formula> (864)
C23H48N6O17S

>  <MolWeight> (864)
712.72222

>  <Item Name> (864)
Neomycin sulfate

>  <Catalog Number> (864)
S2568 

>  <Synonyms> (864)
N/A

>  <Target> (864)
Antifection

>  <Form> (864)
Sulfate

>  <URL> (864)
http://www.selleckchem.com/products/Neomycin-sulfate.html

>  <CAS Number> (864)
1405-10-3

$$$$
Prednisolone acetate.cdx
csChFnd80/07171813082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    0.0000    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> (865)
975

>  <Formula> (865)
C23H30O6

>  <MolWeight> (865)
402.4807

>  <Item Name> (865)
Prednisolone acetate (Omnipred)

>  <Catalog Number> (865)
S2570

>  <Synonyms> (865)
Omnipred

>  <Target> (865)
Glucocorticoid Receptor

>  <Form> (865)
Free Base

>  <URL> (865)
http://www.selleckchem.com/products/Prednisolone-acetate-Omnipred.html

>  <CAS Number> (865)
52-21-1

$$$$
Dimethyl Fumarate.cdx
csChFnd80/07171813082D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (866)
976

>  <Formula> (866)
C6H8O4

>  <MolWeight> (866)
144.12532

>  <Item Name> (866)
Dimethyl Fumarate

>  <Catalog Number> (866)
S2586 

>  <Synonyms> (866)
N/A

>  <Target> (866)
Others

>  <Form> (866)
Free Base

>  <URL> (866)
http://www.selleckchem.com/products/dimethyl-Fumarate.html

>  <CAS Number> (866)
624-49-7

$$$$
Clinofbrate.cdx
csChFnd80/07171813082D

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.9425    6.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  7  1  0  0  0  0
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M  END
>  <Mol_ID> (867)
977

>  <Formula> (867)
C28H36O6

>  <MolWeight> (867)
468.58184

>  <Item Name> (867)
Clinofibrate

>  <Catalog Number> (867)
S2664

>  <Synonyms> (867)
Lipoclin

>  <Target> (867)
RAAS

>  <Form> (867)
Free Base

>  <URL> (867)
http://www.selleckchem.com/products/clinofibrate.html

>  <CAS Number> (867)
30299-08-2

$$$$
GSK1120212.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (872)
982

>  <Formula> (872)
C24H29ClN2O3

>  <MolWeight> (872)
428.95166

>  <Item Name> (872)
ADL5859 HCl

>  <Catalog Number> (872)
S1139

>  <Synonyms> (872)
N/A 

>  <Target> (872)
Opioid Receptor

>  <Form> (872)
Hydrochloride

>  <URL> (872)
http://www.selleckchem.com/products/ADL-5859.html

>  <CAS Number> (872)
850173-95-4

$$$$
BMY7378.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (873)
983

>  <Formula> (873)
C22H33Cl2N3O3

>  <MolWeight> (873)
458.42172

>  <Item Name> (873)
BMY 7378 Dihydrochloride

>  <Catalog Number> (873)
S2691

>  <Synonyms> (873)
N/A

>  <Target> (873)
5-HT Receptor

>  <Form> (873)
Dihydrochloride

>  <URL> (873)
http://www.selleckchem.com/products/bmy-7378.html

>  <CAS Number> (873)
21102-95-4

$$$$
Ciprofibrate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (874)
984

>  <Formula> (874)
C13H14Cl2O3

>  <MolWeight> (874)
289.15446

>  <Item Name> (874)
Ciprofibrate

>  <Catalog Number> (874)
S2665

>  <Synonyms> (874)
N/A

>  <Target> (874)
PPAR

>  <Form> (874)
Free Base

>  <URL> (874)
http://www.selleckchem.com/products/ciprofibrate.html

>  <CAS Number> (874)
52214-84-3

$$$$
PHA-665752.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (875)
985

>  <Formula> (875)
C32H34Cl2N4O4S

>  <MolWeight> (875)
641.60776

>  <Item Name> (875)
PHA-665752

>  <Catalog Number> (875)
S1070 

>  <Synonyms> (875)
N/A 

>  <Target> (875)
c-Met

>  <Form> (875)
Free Base

>  <URL> (875)
http://www.selleckchem.com/products/PHA-665752.html

>  <CAS Number> (875)
477575-56-7

$$$$
Amoxicillin sodium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (876)
986

>  <Formula> (876)
C16H18N3NaO5S

>  <MolWeight> (876)
387.38599

>  <Item Name> (876)
Amoxicillin sodium (Amox)

>  <Catalog Number> (876)
S2565

>  <Synonyms> (876)
Amoxycillin 

>  <Target> (876)
Antifection

>  <Form> (876)
Sodium Salt

>  <URL> (876)
http://www.selleckchem.com/products/amoxicillin-(amox).html

>  <CAS Number> (876)
34642-77-8

$$$$
Geldanamycin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (877)
988

>  <Formula> (877)
C29H40N2O9

>  <MolWeight> (877)
560.6359

>  <Item Name> (877)
Geldanamycin

>  <Catalog Number> (877)
S2713

>  <Synonyms> (877)
N/A

>  <Target> (877)
HSP

>  <Form> (877)
Free Base

>  <URL> (877)
http://www.selleckchem.com/products/geldanamycin.html

>  <CAS Number> (877)
30562-34-6

$$$$
A769662.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (878)
989

>  <Formula> (878)
C20H12N2O3S

>  <MolWeight> (878)
360.38588

>  <Item Name> (878)
A-769662

>  <Catalog Number> (878)
S2697

>  <Synonyms> (878)
N/A

>  <Target> (878)
AMPK

>  <Form> (878)
Free Base

>  <URL> (878)
http://www.selleckchem.com/products/a-769662.html

>  <CAS Number> (878)
844499-71-4

$$$$
BRL15572.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (879)
990

>  <Formula> (879)
C25H29Cl3N2O

>  <MolWeight> (879)
479.86956

>  <Item Name> (879)
BRL-15572

>  <Catalog Number> (879)
S2677

>  <Synonyms> (879)
N/A

>  <Target> (879)
5-HT Receptor

>  <Form> (879)
Dihydrochloride

>  <URL> (879)
http://www.selleckchem.com/products/brl-15572.html

>  <CAS Number> (879)
193611-72-2

$$$$
KX2-391.cdx
csChFnd80/07171813082D

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Fedratinib (SAR302503, TG101348)

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N/A

>  <Target> (887)
JAK 

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Free Base

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http://www.selleckchem.com/products/tg-101348.html

>  <CAS Number> (887)
936091-26-8

$$$$
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AZ 3146

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S2731

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N/A

>  <Target> (888)
Kinesin

>  <Form> (888)
Free Base

>  <URL> (888)
http://www.selleckchem.com/products/az-3146.html

>  <CAS Number> (888)
1124329-14-1

$$$$
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CH5132799

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S2699

>  <Synonyms> (889)
N/A

>  <Target> (889)
PI3K, mTOR

>  <Form> (889)
Free Base

>  <URL> (889)
http://www.selleckchem.com/products/ch5132799.html

>  <CAS Number> (889)
1007207-67-1

$$$$
GDC 0980.cdx
csChFnd80/07171813082D

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N/A 

>  <Target> (890)
mTOR, PI3K

>  <Form> (890)
Free Base

>  <URL> (890)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

>  <CAS Number> (890)
1032754-93-0

$$$$
Nepicastat hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (891)
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Nepicastat hydrochloride

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SYN117

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Hydroxylase

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Hydrochloride

>  <URL> (891)
http://www.selleckchem.com/products/nepicastat-hydrochloride.html

>  <CAS Number> (891)
170151-24-3

$$$$
Brompheniramine maleate.cdx
csChFnd80/07171813082D

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    6.0538    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.5289    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9496    4.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9496    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5332    2.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    0.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  4  1  0  0  0  0
  1 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  1  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (892)
1005

>  <Formula> (892)
C20H23BrN2O4

>  <MolWeight> (892)
435.31162

>  <Item Name> (892)
Brompheniramine hydrogen maleate

>  <Catalog Number> (892)
S2585

>  <Synonyms> (892)
N/A

>  <Target> (892)
Histamine Receptor

>  <Form> (892)
Maleate

>  <URL> (892)
http://www.selleckchem.com/products/brompheniramine.html

>  <CAS Number> (892)
980-71-2

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/07171813082D

 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
    3.4653    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    5.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6735    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8817    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0900    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2982    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5064    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9229    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1311    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0900    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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  1  1  0  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  8  1  0  0  0  0
  5 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
 16 22  1  0  0  0  0
 21 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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (893)
1006

>  <Formula> (893)
C24H26N2O4

>  <MolWeight> (893)
406.47424

>  <Item Name> (893)
Carvedilol

>  <Catalog Number> (893)
S1831

>  <Synonyms> (893)
Coreg, Dilatrend

>  <Target> (893)
Adrenergic Receptor

>  <Form> (893)
Free Base

>  <URL> (893)
http://www.selleckchem.com/products/carvedilol.html

>  <CAS Number> (893)
72956-09-3

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/07171813082D

 18 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.5463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    5.3561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3537    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    5.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    6.7537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4047    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9478    3.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    3.3769    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
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (894)
1007

>  <Formula> (894)
C6H13Cl2N7O3

>  <MolWeight> (894)
302.11852

>  <Item Name> (894)
Amiloride hydrochloride dihydrate

>  <Catalog Number> (894)
S2560 

>  <Synonyms> (894)
MK-870

>  <Target> (894)
Sodium Channel

>  <Form> (894)
hydrochloride & dihydrate

>  <URL> (894)
http://www.selleckchem.com/products/amilorida.html

>  <CAS Number> (894)
17440-83-4

$$$$
Phenylephrine hydrochloride.cdx
csChFnd80/07171813082D

 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
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 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  0  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
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.0100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1347    3.0188    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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  1  0  0  0
  8 13  1  6  0  0  0
M  END
>  <Mol_ID> (895)
1008

>  <Formula> (895)
C9H14ClNO2

>  <MolWeight> (895)
203.66596

>  <Item Name> (895)
Phenylephrine hydrochloride

>  <Catalog Number> (895)
S2569

>  <Synonyms> (895)
N/A

>  <Target> (895)
Adrenergic Receptor

>  <Form> (895)
Hydrochloride

>  <URL> (895)
http://www.selleckchem.com/products/Phenylephrine-hydrochloride.html

>  <CAS Number> (895)
61-76-7

$$$$
ADONITOL.cdx
csChFnd80/07171813082D

 10  9  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  2  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
    7.2788    1.4000    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
  6  7  1  0  0  0  0
  3  8  1  6  0  0  0
  5  9  1  6  0  0  0
  4 10  1  1  0  0  0
M  END
>  <Mol_ID> (896)
1011

>  <Formula> (896)
C5H12O5

>  <MolWeight> (896)
152.14578

>  <Item Name> (896)
Ribitol (Adonitol)

>  <Catalog Number> (896)
S2612 

>  <Synonyms> (896)
Adonite 
)

>  <Target> (896)
Antifection

>  <Form> (896)
Free Base

>  <URL> (896)
http://www.selleckchem.com/products/ribitol-adonitol.html

>  <CAS Number> (896)
488-81-3 

$$$$

csChFnd80/07171813082D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.1306    3.5252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    4.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    3.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    3.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    3.2884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    4.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    5.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    6.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580    3.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580    4.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5703    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  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
  2 10  2  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 14  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 17  1  0  0  0  0
 12 13  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (897)
1012

>  <Formula> (897)
C16H25ClN2O

>  <MolWeight> (897)
296.8355

>  <Item Name> (897)
Ropinirole HCl

>  <Catalog Number> (897)
S3189

>  <Synonyms> (897)
N/A 

>  <Target> (897)
Dopamine Receptor

>  <Form> (897)
HCl

>  <URL> (897)
http://www.selleckchem.com/products/ropinirole-hydrochloride.html

>  <CAS Number> (897)
91374-20-8

$$$$
(+,-)-Octopamine hydrochloride.cdx
csChFnd80/07171813082D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (898)
1013

>  <Formula> (898)
C8H12ClNO2

>  <MolWeight> (898)
189.63938

>  <Item Name> (898)
(+,-)-Octopamine HCl

>  <Catalog Number> (898)
S3188

>  <Synonyms> (898)
N/A 

>  <Target> (898)
Dopamine Receptor

>  <Form> (898)
HCl

>  <URL> (898)
http://www.selleckchem.com/products/octopamine-hcl.html

>  <CAS Number> (898)
770-05-8

$$$$
NU-7441(KU-57788).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (899)
1014

>  <Formula> (899)
C25H19NO3S

>  <MolWeight> (899)
413.48826

>  <Item Name> (899)
NU7441(KU-57788)

>  <Catalog Number> (899)
S2638

>  <Synonyms> (899)
N/A 

>  <Target> (899)
DNA-PK, PI3K

>  <Form> (899)
Free Base

>  <URL> (899)
http://www.selleckchem.com/products/nu7441.html

>  <CAS Number> (899)
503468-95-9 

$$$$
SCH 900776.cdx
csChFnd80/07171813082D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (900)
1015

>  <Formula> (900)
C15H18BrN7

>  <MolWeight> (900)
376.25432

>  <Item Name> (900)
MK-8776 (SCH 900776)

>  <Catalog Number> (900)
S2735

>  <Synonyms> (900)
N/A

>  <Target> (900)
CHK

>  <Form> (900)
Free Base

>  <URL> (900)
http://www.selleckchem.com/products/sch-900776.html

>  <CAS Number> (900)
891494-63-6

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/07171813082D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (901)
1016

>  <Formula> (901)
C21H21Cl2NO5

>  <MolWeight> (901)
438.30114

>  <Item Name> (901)
Flavopiridol (Alvocidib) HCl

>  <Catalog Number> (901)
S2679

>  <Synonyms> (901)
N/A

>  <Target> (901)
CDK

>  <Form> (901)
Hydrochloride

>  <URL> (901)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

>  <CAS Number> (901)
131740-09-5

$$$$
PH797804.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (902)
1017

>  <Formula> (902)
C22H19BrF2N2O3

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M  END
>  <Mol_ID> (907)
1022

>  <Formula> (907)
C21H28N6O2

>  <MolWeight> (907)
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>  <Item Name> (907)
Dinaciclib (SCH727965)

>  <Catalog Number> (907)
S2768

>  <Synonyms> (907)
N/A 

>  <Target> (907)
CDK

>  <Form> (907)
Free Base

>  <URL> (907)
http://www.selleckchem.com/products/dinaciclib-sch727965.html

>  <CAS Number> (907)
779353-01-4

$$$$
MK-5108.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (908)
1023

>  <Formula> (908)
C22H21ClFN3O3S

>  <MolWeight> (908)
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>  <Item Name> (908)
MK-5108 (VX-689)

>  <Catalog Number> (908)
S2770

>  <Synonyms> (908)
N/A 

>  <Target> (908)
Aurora Kinase

>  <Form> (908)
Free Base

>  <URL> (908)
http://www.selleckchem.com/products/mk-5108-vx-689.html

>  <CAS Number> (908)
1010085-13-8

$$$$
CP868569.cdx
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>  <Mol_ID> (909)
1024

>  <Formula> (909)
C26H29N5O2

>  <MolWeight> (909)
443.54076

>  <Item Name> (909)
Crenolanib (CP-868596)

>  <Catalog Number> (909)
S2730 

>  <Synonyms> (909)
N/A 

>  <Target> (909)
PDGFR

>  <Form> (909)
Free Base

>  <URL> (909)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

>  <CAS Number> (909)
670220-88-9

$$$$
Erdosteine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (910)
1025

>  <Formula> (910)
C8H11NO4S2

>  <MolWeight> (910)
249.30724

>  <Item Name> (910)
Erdosteine

>  <Catalog Number> (910)
S1825

>  <Synonyms> (910)
N/A

>  <Target> (910)
Others

>  <Form> (910)
Free Base

>  <URL> (910)
http://www.selleckchem.com/products/erdosteine.html

>  <CAS Number> (910)
84611-23-4 

$$$$
BENICAR (olmesartan medoxomil).cdx
csChFnd80/07171813082D

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   15.4517    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4517    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2392    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2392    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3719    5.0180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9392    6.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5392    6.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1066    5.0180    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
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  2 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
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 29 30  2  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 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
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 37  1  0  0  0  0
M  END
>  <Mol_ID> (911)
1027

>  <Formula> (911)
C29H30N6O6

>  <MolWeight> (911)
558.5851

>  <Item Name> (911)
Olmesartan medoxomil (Benicar)

>  <Catalog Number> (911)
S1604

>  <Synonyms> (911)
Olmetec 

>  <Target> (911)
RAAS

>  <Form> (911)
Free Base

>  <URL> (911)
http://www.selleckchem.com/products/olmesartan-medoxomil-Benicar.html

>  <CAS Number> (911)
144689-63-4

$$$$
PAC1.cdx
csChFnd80/07171813082D

 29 31  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
  1  4  2  0  0  0  0
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 13  3  1  0  0  0  0
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M  END
>  <Mol_ID> (912)
1028

>  <Formula> (912)
C23H28N4O2

>  <MolWeight> (912)
392.49402

>  <Item Name> (912)
PAC-1

>  <Catalog Number> (912)
S2738

>  <Synonyms> (912)
Procaspase activating compound 1

>  <Target> (912)
Caspase

>  <Form> (912)
Free Base

>  <URL> (912)
http://www.selleckchem.com/products/pac-1.html

>  <CAS Number> (912)
315183-21-2

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/07171813082D

 26 28  0  0  0  0  0  0  0  0999 V2000
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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
  2  7  1  0  0  0  0
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M  END
>  <Mol_ID> (913)
1030

>  <Formula> (913)
C20H22ClN3O2

>  <MolWeight> (913)
371.86058

>  <Item Name> (913)
Tubastatin A hydrochloride

>  <Catalog Number> (913)
S2627 

>  <Synonyms> (913)
N/A

>  <Target> (913)
HDAC

>  <Form> (913)
Hydrochloride

>  <URL> (913)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

>  <CAS Number> (913)
1310693-92-5

$$$$
AG-1478.cdx
csChFnd80/07171813082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (914)
1031

>  <Formula> (914)
C16H14ClN3O2

>  <MolWeight> (914)
315.75426

>  <Item Name> (914)
AG-1478 (Tyrphostin AG-1478)

>  <Catalog Number> (914)
S2728

>  <Synonyms> (914)
Tyrphostin AG-1478

>  <Target> (914)
EGFR

>  <Form> (914)
Free Base

>  <URL> (914)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

>  <CAS Number> (914)
153436-53-4

$$$$
PF-04691502.cdx
csChFnd80/07171813082D

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 27 22  1  0  0  0  0
 25 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (915)
1032

>  <Formula> (915)
C22H27N5O4

>  <MolWeight> (915)
425.48088

>  <Item Name> (915)
PF-04691502

>  <Catalog Number> (915)
S2743

>  <Synonyms> (915)
N/A

>  <Target> (915)
mTOR, PI3K, Akt

>  <Form> (915)
Free Base

>  <URL> (915)
http://www.selleckchem.com/products/pf-04691502.html

>  <CAS Number> (915)
1013101-36-4 

$$$$
Adenine hydrochloride.cdx
csChFnd80/07171813082D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 N   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
    0.8229    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9397    1.4097    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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  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
  9  2  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (916)
1034

>  <Formula> (916)
C5H6ClN5

>  <MolWeight> (916)
171.58764

>  <Item Name> (916)
Adenine hydrochloride

>  <Catalog Number> (916)
S1983

>  <Synonyms> (916)
N/A

>  <Target> (916)
DNA/RNA Synthesis

>  <Form> (916)
Hydrochloride

>  <URL> (916)
http://www.selleckchem.com/products/adenine-hydrochloride.html

>  <CAS Number> (916)
2922-28-3 

$$$$
ATP disodium salt.cdx
csChFnd80/07171813082D

 33 33  0  0  0  0  0  0  0  0999 V2000
    7.1324    6.5883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998    5.7654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4324    4.4339    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8324    4.4339    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2650    5.7654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5919    6.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6729    6.1965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6123    3.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6524    3.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8043    5.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125    6.1941    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   13.2208    5.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4290    6.1941    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.3125    7.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125    7.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4290    7.5941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8290    6.1941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6414    8.2941    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   16.8539    8.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9414    9.5065    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   14.7913    4.8418    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    2.8403    7.5280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
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  2  7  1  6  0  0  0
  3  8  1  1  0  0  0
  4  9  1  1  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
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 13 16  1  0  0  0  0
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 18 19  1  0  0  0  0
 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
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26  7  1  0  0  0  0
 25 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 26  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (917)
1036

>  <Formula> (917)
C10H14N5Na2O13P3

>  <MolWeight> (917)
551.144683

>  <Item Name> (917)
ATP (Adenosine-Triphosphate)

>  <Catalog Number> (917)
S1985

>  <Synonyms> (917)
N/A 

>  <Target> (917)
Others

>  <Form> (917)
Disodium Salt

>  <URL> (917)
http://www.selleckchem.com/products/atp-Adenosine-Triphosphate.html

>  <CAS Number> (917)
987-65-5

$$$$
Benidipine hydrochloride.cdx
csChFnd80/07171813082D

 38 40  0  0  0  0  0  0  0  0999 V2000
   12.1033    5.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.3458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8909    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    7.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    8.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    7.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5240    4.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    6.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  6  0  0  0
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  3  4  2  0  0  0  0
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 12  1  1  0  0  0  0
  6 13  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 35  1  0  0  0  0
  7 15  1  0  0  0  0
 15 36  2  0  0  0  0
  3 17  1  0  0  0  0
 17 37  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (918)
1037

>  <Formula> (918)
C28H32ClN3O6

>  <MolWeight> (918)
542.02318

>  <Item Name> (918)
Benidipine hydrochloride

>  <Catalog Number> (918)
S2017

>  <Synonyms> (918)
N/A

>  <Target> (918)
calcium channel

>  <Form> (918)
Hydrochloride

>  <URL> (918)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

>  <CAS Number> (918)
91599-74-5

$$$$
Clorsulon.cdx
csChFnd80/07171813082D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1003    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
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 17 19  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (919)
1038

>  <Formula> (919)
C8H8Cl3N3O4S2

>  <MolWeight> (919)
380.65582

>  <Item Name> (919)
Clorsulon

>  <Catalog Number> (919)
S2613 

>  <Synonyms> (919)
N/A

>  <Target> (919)
Antifection

>  <Form> (919)
Free Base

>  <URL> (919)
http://www.selleckchem.com/products/clorsulon.html

>  <CAS Number> (919)
60200-06-8

$$$$
RS-127445.cdx
csChFnd80/07171813082D

 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> (920)
1039

>  <Formula> (920)
C17H16FN3

>  <MolWeight> (920)
281.3274432

>  <Item Name> (920)
RS-127445

>  <Catalog Number> (920)
S2698

>  <Synonyms> (920)
N/A

>  <Target> (920)
5-HT Receptor

>  <Form> (920)
Free Base

>  <URL> (920)
http://www.selleckchem.com/products/rs-127445.html

>  <CAS Number> (920)
199864-87-3

$$$$
Fluticasone propionate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (921)
1040

>  <Formula> (921)
C25H31F3O5S

>  <MolWeight> (921)
500.5708496

>  <Item Name> (921)
Fluticasone propionate (Flonase, Veramyst)

>  <Catalog Number> (921)
S1992

>  <Synonyms> (921)
N/A 

>  <Target> (921)
Glucocorticoid Receptor

>  <Form> (921)
Free Base

>  <URL> (921)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

>  <CAS Number> (921)
80474-14-2

$$$$
Formoterol fumarate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (922)
1041

>  <Formula> (922)
C42H52N4O12

>  <MolWeight> (922)
804.88188

>  <Item Name> (922)
Formoterol hemifumarate

>  <Catalog Number> (922)
S2020

>  <Synonyms> (922)
N/A

>  <Target> (922)
Adrenergic Receptor

>  <Form> (922)
Hemifumarate

>  <URL> (922)
http://www.selleckchem.com/products/formoterol-hemifumarate.html

>  <CAS Number> (922)
43229-80-7

$$$$
Ketotifen fumarate.cdx
csChFnd80/07171813082D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (923)
1042

>  <Formula> (923)
C23H23NO5S

>  <MolWeight> (923)
425.49742

>  <Item Name> (923)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (923)
S2024

>  <Synonyms> (923)
N/A 

>  <Target> (923)
Histamine Receptor

>  <Form> (923)
Fumarate 

>  <URL> (923)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (923)
34580-14-8

$$$$
Lacidipine.cdx
csChFnd80/07171813082D

 33 34  0  0  0  0  0  0  0  0999 V2000
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    4.8497    2.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    5.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    7.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    5.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    6.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  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
 15 19  2  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
  5 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
  8 20  1  0  0  0  0
 20 33  2  0  0  0  0
M  END
>  <Mol_ID> (924)
1043

>  <Formula> (924)
C26H33NO6

>  <MolWeight> (924)
455.54332

>  <Item Name> (924)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (924)
S1994

>  <Synonyms> (924)
Lacipil, Motens

>  <Target> (924)
Calcium Channel 

>  <Form> (924)
Free Base

>  <URL> (924)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (924)
103890-78-4

$$$$
Meclizine dihydrochloride.cdx
csChFnd80/07171813082D

 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
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    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.1951    0.0000 C   0  0  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
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   14.5240    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9620    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> (925)
1044

>  <Formula> (925)
C25H29Cl3N2

>  <MolWeight> (925)
463.87016

>  <Item Name> (925)
Meclizine dihydrochloride

>  <Catalog Number> (925)
S1986 

>  <Synonyms> (925)
N/A

>  <Target> (925)
Others

>  <Form> (925)
Dihydrochloride

>  <URL> (925)
http://www.selleckchem.com/products/meclizine-dihydrochloride.html

>  <CAS Number> (925)
1104-22-9

$$$$
MIRTAZAPINE (mirtazapine).cdx
csChFnd80/07171813082D

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.9370    0.3448    0.0000 C   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    3.4117    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    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
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    0.0000    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6370    5.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.8366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5370    4.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5394    7.0448    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  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
  4 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  5  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (926)
1045

>  <Formula> (926)
C17H19N3

>  <MolWeight> (926)
265.35286

>  <Item Name> (926)
Mirtazapine (Remeron, Avanza)

>  <Catalog Number> (926)
S2016

>  <Synonyms> (926)
N/A 

>  <Target> (926)
5-HT Receptor

>  <Form> (926)
Free Base

>  <URL> (926)
http://www.selleckchem.com/products/mirtazapine-remeron-avanza.html

>  <CAS Number> (926)
85650-52-8 

$$$$
Mometasone furoate.cdx
csChFnd80/07171813082D

 37 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0271    6.6849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3395    7.1974    0.0000 Cl  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
   11.9119    6.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5953    8.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3829    8.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3425    7.8198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
 17 27  1  6  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 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 37  1  0  0  0  0
 37 33  1  0  0  0  0
M  END
>  <Mol_ID> (927)
1046

>  <Formula> (927)
C27H30Cl2O6

>  <MolWeight> (927)
521.4295

>  <Item Name> (927)
Mometasone furoate

>  <Catalog Number> (927)
S1987

>  <Synonyms> (927)
N/A

>  <Target> (927)
Glucocorticoid Receptor

>  <Form> (927)
Furoate

>  <URL> (927)
http://www.selleckchem.com/products/mometasone-furoate.html

>  <CAS Number> (927)
83919-23-7

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/07171813082D

 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
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 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (928)
1048

>  <Formula> (928)
C12H20ClN3O

>  <MolWeight> (928)
257.7597

>  <Item Name> (928)
Procarbazine hydrochloride (Matulane)

>  <Catalog Number> (928)
S1995

>  <Synonyms> (928)
N/A 

>  <Target> (928)
DNA/RNA

>  <Form> (928)
Hydrochloride

>  <URL> (928)
http://www.selleckchem.com/products/procarbazine-hydrochloride-matulane.html

>  <CAS Number> (928)
366-70-1

$$$$
Pidotimod.cdx
csChFnd80/07171813082D

 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
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    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
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  1  5  1  0  0  0  0
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  4  6  1  6  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> (929)
1049

>  <Formula> (929)
C9H12N2O4S

>  <MolWeight> (929)
244.26758

>  <Item Name> (929)
Pidotimod

>  <Catalog Number> (929)
S3106

>  <Synonyms> (929)
N/A 

>  <Target> (929)
Others

>  <Form> (929)
Free Base

>  <URL> (929)
http://www.selleckchem.com/products/pidotimod.html

>  <CAS Number> (929)
121808-62-6

$$$$
Pyridoxine hydrochloride.cdx
csChFnd80/07171813082D

 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
  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
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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> (930)
1050

>  <Formula> (930)
C8H12ClNO3

>  <MolWeight> (930)
205.63878

>  <Item Name> (930)
Pyridoxine hydrochloride

>  <Catalog Number> (930)
S3113

>  <Synonyms> (930)
N/A 

>  <Target> (930)
Vitamin

>  <Form> (930)
Hydrochloride

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

>  <CAS Number> (930)
58-56-0

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/07171813082D

 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> (931)
1051

>  <Formula> (931)
C15H25ClN2O2

>  <MolWeight> (931)
300.8242

>  <Item Name> (931)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (931)
S2573 

>  <Synonyms> (931)
N/A 

>  <Target> (931)
Calcium Channel

>  <Form> (931)
Hydrochloride 

>  <URL> (931)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (931)
136-47-0

$$$$
Ticlopidine hydrochloride.cdx
csChFnd80/07171813082D

 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
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    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
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  8  9  2  0  0  0  0
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 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
  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> (932)
1052

>  <Formula> (932)
C14H15Cl2NS

>  <MolWeight> (932)
300.2466

>  <Item Name> (932)
Ticlopidine hydrochloride

>  <Catalog Number> (932)
S1984

>  <Synonyms> (932)
N/A

>  <Target> (932)
P2 Receptor

>  <Form> (932)
Hydrochloride

>  <URL> (932)
http://www.selleckchem.com/products/ticlopidine-hydrochloride.html

>  <CAS Number> (932)
53885-35-1

$$$$
Trazodone hydrochloride.cdx
csChFnd80/07171813082D

 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
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   14.5066    4.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (933)
1053

>  <Formula> (933)
C19H23Cl2N5O

>  <MolWeight> (933)
408.32482

>  <Item Name> (933)
Trazodone hydrochloride (Desyrel)

>  <Catalog Number> (933)
S2582

>  <Synonyms> (933)
N/A 

>  <Target> (933)
5-HT Receptor

>  <Form> (933)
Hydrochloride

>  <URL> (933)
http://www.selleckchem.com/products/trazodone-hydrochloride-desyrel.html

>  <CAS Number> (933)
25332-39-2 

$$$$
Urapidil hydrochloride.cdx
csChFnd80/07171813082D

 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
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    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
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   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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  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> (934)
1054

>  <Formula> (934)
C20H30ClN5O3

>  <MolWeight> (934)
423.9369

>  <Item Name> (934)
Urapidil hydrochloride

>  <Catalog Number> (934)
S2025

>  <Synonyms> (934)
N/A

>  <Target> (934)
5-HT Receptor

>  <Form> (934)
Hydrochloride

>  <URL> (934)
http://www.selleckchem.com/products/urapidil-hydrochloride.html

>  <CAS Number> (934)
64887-14-5

$$$$
Albendazole oxide.cdx
csChFnd80/07171813082D

 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
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   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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  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> (935)
1055

>  <Formula> (935)
C12H15N3O3S

>  <MolWeight> (935)
281.3308

>  <Item Name> (935)
Albendazole Oxide (Ricobendazole)

>  <Catalog Number> (935)
S1836

>  <Synonyms> (935)
N/A 

>  <Target> (935)
Microtubule Associated

>  <Form> (935)
Free Base

>  <URL> (935)
http://www.selleckchem.com/products/albendazole-oxide-ricobendazole.html

>  <CAS Number> (935)
54029-12-8

$$$$
Alibendol.cdx
csChFnd80/07171813082D

 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
  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
  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  4 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
M  END
>  <Mol_ID> (936)
1056

>  <Formula> (936)
C13H17NO4

>  <MolWeight> (936)
251.27838

>  <Item Name> (936)
Alibendol

>  <Catalog Number> (936)
S1928

>  <Synonyms> (936)
N/A

>  <Target> (936)
Others

>  <Form> (936)
Free Base

>  <URL> (936)
http://www.selleckchem.com/products/alibendol.html

>  <CAS Number> (936)
26750-81-2

$$$$
Aspartame.cdx
csChFnd80/07171813082D

 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
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.4049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1049    0.0000 C   0  0  2  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
    9.7079    2.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 12 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  2  0  0  0  0
 16 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 13  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (937)
1057

>  <Formula> (937)
C14H18N2O5

>  <MolWeight> (937)
294.30312

>  <Item Name> (937)
Aspartame

>  <Catalog Number> (937)
S2036

>  <Synonyms> (937)
Nutrasweet

>  <Target> (937)
Others

>  <Form> (937)
Free Base

>  <URL> (937)
http://www.selleckchem.com/products/aspartame.html

>  <CAS Number> (937)
22839-47-0

$$$$
Bifonazole.cdx
csChFnd80/07171813082D

 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
    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 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7657    7.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    8.4447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    8.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    7.1132    0.0000 C   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
    6.0538    2.0976    0.0000 C   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
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    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
  7  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  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
 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> (938)
1058

>  <Formula> (938)
C22H18N2

>  <MolWeight> (938)
310.39172

>  <Item Name> (938)
Bifonazole

>  <Catalog Number> (938)
S1854

>  <Synonyms> (938)
N/A

>  <Target> (938)
Antifection

>  <Form> (938)
Free Base

>  <URL> (938)
http://www.selleckchem.com/products/bifonazole.html

>  <CAS Number> (938)
60628-96-8

$$$$
Butoconazole nitrate.cdx
csChFnd80/07171813082D

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2746    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.5779    3.2873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    5.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    9.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    9.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.8659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3740    1.2082    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0716    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0716    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9788    1.2082    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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M  END
>  <Mol_ID> (939)
1059

>  <Formula> (939)
C19H18Cl3N3O3S

>  <MolWeight> (939)
474.78852

>  <Item Name> (939)
Butoconazole nitrate

>  <Catalog Number> (939)
S1833

>  <Synonyms> (939)
N/A

>  <Target> (939)
Antifection

>  <Form> (939)
Nitrate

>  <URL> (939)
http://www.selleckchem.com/products/butoconazole-nitrate.html

>  <CAS Number> (939)
64872-77-1

$$$$
Disodium Cromoglycate.cdx
csChFnd80/07171813082D

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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (940)
1060

>  <Formula> (940)
C23H14Na2O11

>  <MolWeight> (940)
512.3302

>  <Item Name> (940)
Disodium Cromoglycate

>  <Catalog Number> (940)
S1911

>  <Synonyms> (940)
Gynazole

>  <Target> (940)
Calcium Channel

>  <Form> (940)
Disodium Salt

>  <URL> (940)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

>  <CAS Number> (940)
15826-37-6

$$$$
Epalrestat.cdx
csChFnd80/07171813082D

 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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    6.0496    3.6555    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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M  END
>  <Mol_ID> (941)
1061

>  <Formula> (941)
C15H13NO3S2

>  <MolWeight> (941)
319.39862

>  <Item Name> (941)
Epalrestat

>  <Catalog Number> (941)
S2035 

>  <Synonyms> (941)
N/A

>  <Target> (941)
Others

>  <Form> (941)
Free Base

>  <URL> (941)
http://www.selleckchem.com/products/epalrestat.html

>  <CAS Number> (941)
82159-09-9

$$$$
Ganciclovir.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (942)
1063

>  <Formula> (942)
C9H13N5O4

>  <MolWeight> (942)
255.23062

>  <Item Name> (942)
Ganciclovir

>  <Catalog Number> (942)
S1878

>  <Synonyms> (942)
Cytovene

>  <Target> (942)
Antifection

>  <Form> (942)
Free Base

>  <URL> (942)
http://www.selleckchem.com/products/ganciclovir.html

>  <CAS Number> (942)
82410-32-0

$$$$
Phentolamine mesilate.cdx
csChFnd80/07171813082D

 26 27  0  0  0  0  0  0  0  0999 V2000
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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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 21  5  2  0  0  0  0
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M  END
>  <Mol_ID> (943)
1065

>  <Formula> (943)
C18H23N3O4S

>  <MolWeight> (943)
377.45792

>  <Item Name> (943)
Phentolamine Mesylate 

>  <Catalog Number> (943)
S2038

>  <Synonyms> (943)
Regitine

>  <Target> (943)
adrenergic receptor

>  <Form> (943)
Mesylate 

>  <URL> (943)
http://www.selleckchem.com/products/phentolamine-mesilate.html

>  <CAS Number> (943)
65-28-1

$$$$
Sulphadimethoxine.cdx
csChFnd80/07171813082D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    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
    3.6331    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    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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  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
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 18 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (944)
1067

>  <Formula> (944)
C12H14N4O4S

>  <MolWeight> (944)
310.32896

>  <Item Name> (944)
Sulphadimethoxine

>  <Catalog Number> (944)
S1962

>  <Synonyms> (944)
Di-Methox, Albon

>  <Target> (944)
Antifection

>  <Form> (944)
Free Base

>  <URL> (944)
http://www.selleckchem.com/products/sulphadimethoxine.html

>  <CAS Number> (944)
122-11-2

$$$$
Tranexamic acid.cdx
csChFnd80/07171813082D

 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
    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  1  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  1  0  0  0  0  0  0  0  0  0
    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
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  1  1  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (945)
1068

>  <Formula> (945)
C8H15NO2

>  <MolWeight> (945)
157.2102

>  <Item Name> (945)
Tranexamic acid (Transamin)

>  <Catalog Number> (945)
S1875

>  <Synonyms> (945)
Cyklokapron 

>  <Form> (945)
Free Base

>  <URL> (945)
http://www.selleckchem.com/products/tranexamic-acid-transamin.html

>  <CAS Number> (945)
1197-18-8

$$$$
Uridine.cdx
csChFnd80/07171813082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.6315    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6315    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    1.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233    2.9579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1443    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    2.4870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9075    1.2745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2769    1.5656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8200    2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3137    0.6321    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  2  0  0  0  0
  5  7  2  0  0  0  0
  3  8  2  0  0  0  0
  9  2  1  1  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  9  1  0  0  0  0
 11 14  1  1  0  0  0
 14 15  1  0  0  0  0
 12 16  1  6  0  0  0
 13 17  1  6  0  0  0
M  END
>  <Mol_ID> (946)
1069

>  <Formula> (946)
C9H12N2O6

>  <MolWeight> (946)
244.20138

>  <Item Name> (946)
Uridine

>  <Catalog Number> (946)
S2029

>  <Synonyms> (946)
N/A

>  <Target> (946)
DNA/RNA Synthesis

>  <Form> (946)
Free Base

>  <URL> (946)
http://www.selleckchem.com/products/uridine.html

>  <CAS Number> (946)
58-96-8

$$$$
ENALAPRILAT (enalaprilat).cdx
csChFnd80/07171813082D

 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
    8.2517    0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4642    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4642    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2517    2.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.0889    4.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    4.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2971    4.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3013    2.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5137    2.8700    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7262    2.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5137    4.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9344    2.8676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7262    0.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2134    2.2982    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.1502    3.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4502    4.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0807    4.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5034    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4666    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8303    0.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1920    2.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7921    2.4814    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
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  1  0  0  0
 14 15  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  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> (947)
1070

>  <Formula> (947)
C18H28N2O7

>  <MolWeight> (947)
384.42412

>  <Item Name> (947)
Enalaprilat dihydrate

>  <Catalog Number> (947)
S1657

>  <Synonyms> (947)
N/A

>  <Target> (947)
RAAS

>  <Form> (947)
Dihydrate

>  <URL> (947)
http://www.selleckchem.com/products/Enalaprilat.html

>  <CAS Number> (947)
84680-54-6 

$$$$
Cefoperazone acid.cdx
csChFnd80/07171813082D

 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
    5.8404   10.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    9.6324    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653   10.3324    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.6653   11.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322   12.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529   13.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611   14.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446   14.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240   11.7324    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0694   13.8223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   14.1134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.9009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368   11.8605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6518   12.7189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6248    7.3728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2503    5.0387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9590    6.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8980    4.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5356    3.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5256    2.3341    0.0000 N   0  0  0  0  0  0  0  0  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
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 31 32  1  0  0  0  0
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 34 28  1  0  0  0  0
 25 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
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  4 45  1  6  0  0  0
M  END
>  <Mol_ID> (948)
1071

>  <Formula> (948)
C25H27N9O8S2

>  <MolWeight> (948)
645.66738

>  <Item Name> (948)
Cefoperazone (Cefobid)

>  <Catalog Number> (948)
S1611

>  <Synonyms> (948)
N/A 

>  <Target> (948)
Antifection

>  <Form> (948)
Free Base

>  <URL> (948)
http://www.selleckchem.com/products/cefoperazone-cefobid.html

>  <CAS Number> (948)
62893-19-0

$$$$
Acemetacin.cdx
csChFnd80/07171813082D

 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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    5.4812    6.1728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2139    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1101    5.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4370    6.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4738    5.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8007    5.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8374    4.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0907    6.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8201    4.3057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    6.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7457    5.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    3.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683    3.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4087    4.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8633    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  2  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 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
 20 22  2  0  0  0  0
 17 23  2  0  0  0  0
 13 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 13  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (949)
1072

>  <Formula> (949)
C21H18ClNO6

>  <MolWeight> (949)
415.82372

>  <Item Name> (949)
Acemetacin (Emflex)

>  <Catalog Number> (949)
S2602

>  <Synonyms> (949)
N/A 

>  <Target> (949)
COX

>  <Form> (949)
Free Base

>  <URL> (949)
http://www.selleckchem.com/products/acemetacin-emflex.html

>  <CAS Number> (949)
53164-05-9

$$$$
NATACYN (natamycin).cdx
csChFnd80/07171813082D

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6458    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5619    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    7.7146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5619    8.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9868    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    9.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743   10.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0748   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    9.8195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2873    8.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8624   11.2244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 31 36  1  6  0  0  0
 33 37  1  6  0  0  0
 35 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
 41 42  1  0  0  0  0
 42 35  1  0  0  0  0
 35 43  1  6  0  0  0
 39 44  1  1  0  0  0
 40 45  1  6  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 41 48  1  0  0  0  0
 48 13  1  0  0  0  0
 41 49  1  6  0  0  0
 30 50  1  6  0  0  0
 50 31  1  0  0  0  0
M  END
>  <Mol_ID> (950)
1073

>  <Formula> (950)
C33H47NO13

>  <MolWeight> (950)
665.72518

>  <Item Name> (950)
Natamycin

>  <Catalog Number> (950)
S1517

>  <Synonyms> (950)
Pimaricin

>  <Target> (950)
Antifection

>  <Form> (950)
Free Base

>  <URL> (950)
http://www.selleckchem.com/products/Natamycin(Pimaricin).htm

>  <CAS Number> (950)
7681-93-8

$$$$
Nystatin (Fungicidin).cdx
csChFnd80/07171813082D

 67 69  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8196    9.7879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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 24 67  1  1  0  0  0
M  END
>  <Mol_ID> (951)
1074

>  <Formula> (951)
C47H75NO17

>  <MolWeight> (951)
926.0949

>  <Item Name> (951)
Nystatin (Fungicidin)

>  <Catalog Number> (951)
S1934

>  <Synonyms> (951)
N/A

>  <Target> (951)
Others

>  <Form> (951)
Free Base

>  <URL> (951)
http://www.selleckchem.com/products/Nystatin(Mycostatin).htm

>  <CAS Number> (951)
1400-61-9

$$$$
Buflomedil hydrochloride.cdx
csChFnd80/07171813082D

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8903    0.0000 O   0  0  0  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
    2.4207    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1903    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    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2026    0.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    1.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9658    2.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3478    5.1698    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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  5  6  2  0  0  0  0
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  1  7  1  0  0  0  0
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  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  4 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  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (952)
1075

>  <Formula> (952)
C17H26ClNO4

>  <MolWeight> (952)
343.84564

>  <Item Name> (952)
Buflomedil HCl

>  <Catalog Number> (952)
S2607

>  <Synonyms> (952)
N/A

>  <Target> (952)
Adrenergic Receptor

>  <Form> (952)
Hydrochloride

>  <URL> (952)
http://www.selleckchem.com/products/auflomedil-hcl.html

>  <CAS Number> (952)
35543-24-9

$$$$
Clindamycin palmitate hydrochloride.cdx
csChFnd80/07171813082D

 45 45  0  0  0  0  0  0  0  0999 V2000
    8.7194    4.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7194    3.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   11.1443    4.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    9.9319    6.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5112    5.1017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3525    5.1017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5650    4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7732    5.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7732    6.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5650    3.0066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3525    0.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9856    7.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1939    6.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1939    5.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.6145    2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4021    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1896    0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9772    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7648    0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7648    2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9772    3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5070    2.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5070    0.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7194    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0863    2.3066    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  8  1  0  0  0  0
  5  9  1  0  0  0  0
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 17 18  1  0  0  0  0
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 21 22  1  0  0  0  0
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 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
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  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 36  1  0  0  0  0
 34 37  1  0  0  0  0
 36 41  1  0  0  0  0
 39 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
>  <Mol_ID> (953)
1076

>  <Formula> (953)
C34H64Cl2N2O6S

>  <MolWeight> (953)
699.85276

>  <Item Name> (953)
Clindamycin palmitate HCl

>  <Catalog Number> (953)
S2596

>  <Synonyms> (953)
N/A

>  <Target> (953)
Others

>  <Form> (953)
Hydrochloride

>  <URL> (953)
http://www.selleckchem.com/products/clindamycin-palmitate-hcl.html

>  <CAS Number> (953)
25507-04-4 

$$$$
Clobetasol propionate.cdx
csChFnd80/07171813082D

 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
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    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  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
 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
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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
 16 24  1  1  0  0  0
 14 25  1  6  0  0  0
 17 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
 10 31  1  6  0  0  0
 11 32  1  6  0  0  0
 16 33  1  6  0  0  0
 23 34  1  0  0  0  0
 34 35  1  0  0  0  0
 23 36  2  0  0  0  0
M  END
>  <Mol_ID> (954)
1077

>  <Formula> (954)
C25H32ClFO5

>  <MolWeight> (954)
466.9699832

>  <Item Name> (954)
Clobetasol propionate

>  <Catalog Number> (954)
S2584

>  <Synonyms> (954)
N/A

>  <Target> (954)
Glucocorticoid Receptor

>  <Form> (954)
Free Base

>  <URL> (954)
http://www.selleckchem.com/products/clobetasol-propionate.html

>  <CAS Number> (954)
25122-46-7

$$$$
Flubendazole.cdx
csChFnd80/07171813082D

 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
    4.8455    6.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.0322    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
    8.4786    4.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9496    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0423    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7399    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7399    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1350    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  4  1  0  0  0  0
  1  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  1  1  0  0  0  0
  4 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  4  1  0  0  0  0
  7 15  1  0  0  0  0
 11 16  1  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
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (955)
1079

>  <Formula> (955)
C16H12FN3O3

>  <MolWeight> (955)
313.2831832

>  <Item Name> (955)
Flubendazole (Flutelmium)

>  <Catalog Number> (955)
S1837

>  <Synonyms> (955)
N/A 

>  <Target> (955)
Others

>  <Form> (955)
Free Base

>  <URL> (955)
http://www.selleckchem.com/products/flubendazole-flutelmium.html

>  <CAS Number> (955)
31430-15-6

$$$$
Lonidamine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (956)
1080

>  <Formula> (956)
C15H10Cl2N2O2

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321.1581

>  <Item Name> (956)
Lonidamine

>  <Catalog Number> (956)
S2610

>  <Synonyms> (956)
N/A

>  <Target> (956)
Others

>  <Form> (956)
Free Base

>  <URL> (956)
http://www.selleckchem.com/products/lonidamine.html

>  <CAS Number> (956)
50264-69-2

$$$$
L-Thyroxine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (957)
1081

>  <Formula> (957)
C15H11I4NO4

>  <MolWeight> (957)
776.87002

>  <Item Name> (957)
L-Thyroxine

>  <Catalog Number> (957)
S2599

>  <Synonyms> (957)
N/A

>  <Target> (957)
Others

>  <Form> (957)
Free Base

>  <URL> (957)
http://www.selleckchem.com/products/l-thyroxine.html

>  <CAS Number> (957)
51-48-9

$$$$
Miglitol.cdx
csChFnd80/07171813082D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (958)
1082

>  <Formula> (958)
C8H17NO5

>  <MolWeight> (958)
207.22428

>  <Item Name> (958)
Miglitol (Glyset)

>  <Catalog Number> (958)
S2589

>  <Synonyms> (958)
N/A 

>  <Target> (958)
Others

>  <Form> (958)
Free Base

>  <URL> (958)
http://www.selleckchem.com/products/miglitol-glyset.html

>  <CAS Number> (958)
72432-03-2

$$$$
NADIDE.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (959)
1083

>  <Formula> (959)
C21H27N7O14P2

>  <MolWeight> (959)
663.425102

>  <Item Name> (959)
NAD+

>  <Catalog Number> (959)
S2518

>  <Synonyms> (959)
N/A

>  <Target> (959)
Others

>  <Form> (959)
Free Base

>  <URL> (959)
http://www.selleckchem.com/products/nad.html

>  <CAS Number> (959)
53-84-9

$$$$
Phenacetin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (960)
1084

>  <Formula> (960)
C10H13NO2

>  <MolWeight> (960)
179.21572

>  <Item Name> (960)
Phenacetin

>  <Catalog Number> (960)
S2577

>  <Synonyms> (960)
N/A

>  <Target> (960)
COX

>  <Form> (960)
Free Base

>  <URL> (960)
http://www.selleckchem.com/products/phenacetin.html

>  <CAS Number> (960)
62-44-2

$$$$
Pioglitazone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (961)
1085

>  <Formula> (961)
C19H20N2O3S

>  <MolWeight> (961)
356.4387

>  <Item Name> (961)
Pioglitazone (Actos)

>  <Catalog Number> (961)
S2590

>  <Synonyms> (961)
N/A 

>  <Target> (961)
PPAR

>  <Form> (961)
Free Base

>  <URL> (961)
http://www.selleckchem.com/products/pioglitazone-actos.html

>  <CAS Number> (961)
111025-46-8

$$$$
Streptomycin sulfate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (962)
1086

>  <Formula> (962)
C42H84N14O36S3

>  <MolWeight> (962)
1457.38356

>  <Item Name> (962)
Streptomycin sulfate

>  <Catalog Number> (962)
S2572

>  <Synonyms> (962)
N/A

>  <Target> (962)
Antifection

>  <Form> (962)
1.5 Sulfate

>  <URL> (962)
http://www.selleckchem.com/products/streptomycin-sulfate.html

>  <CAS Number> (962)
3810-74-0 

$$$$
Tetracycline hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (963)
1087

>  <Formula> (963)
C22H25ClN2O8

>  <MolWeight> (963)
480.8955

>  <Item Name> (963)
Tetracycline hydrochloride

>  <Catalog Number> (963)
S2574 

>  <Synonyms> (963)
N/A

>  <Target> (963)
Antifection

>  <Form> (963)
Hydrochloride

>  <URL> (963)
http://www.selleckchem.com/products/tetracycline-hydrochloride.html

>  <CAS Number> (963)
64-75-5

$$$$
Thiamphenicol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (964)
1088

>  <Formula> (964)
C12H15Cl2NO5S

>  <MolWeight> (964)
356.2222

>  <Item Name> (964)
Thiamphenicol (Thiophenicol)

>  <Catalog Number> (964)
S2583

>  <Synonyms> (964)
N/A 

>  <Target> (964)
Antifection

>  <Form> (964)
Free Base

>  <URL> (964)
http://www.selleckchem.com/products/thiamphenicol-thiophenicol.html

>  <CAS Number> (964)
15318-45-3

$$$$
Tolfenamic acid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (965)
1089

>  <Formula> (965)
C14H12ClNO2

>  <MolWeight> (965)
261.70358

>  <Item Name> (965)
Tolfenamic acid

>  <Catalog Number> (965)
S1959

>  <Synonyms> (965)
N/A

>  <Target> (965)
COX

>  <Form> (965)
Free Base

>  <URL> (965)
http://www.selleckchem.com/products/tolfenamic-acid.html

>  <CAS Number> (965)
13710-19-5

$$$$
Tolvaptan.cdx
csChFnd80/07171813082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (966)
1090

>  <Formula> (966)
C26H25ClN2O3

>  <MolWeight> (966)
448.9413

>  <Item Name> (966)
Tolvaptan (OPC-41061)

>  <Catalog Number> (966)
S2593

>  <Synonyms> (966)
Samsca 

>  <Target> (966)
Estrogen/progestogen Receptor

>  <Form> (966)
Free Base

>  <URL> (966)
http://www.selleckchem.com/products/tolvaptan-opc-41061.html

>  <CAS Number> (966)
150683-30-0

$$$$
Zidovudine.cdx
csChFnd80/07171813082D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (967)
1091

>  <Formula> (967)
C10H13N5O4

>  <MolWeight> (967)
267.24132

>  <Item Name> (967)
Zidovudine (Retrovir)

>  <Catalog Number> (967)
S2579

>  <Synonyms> (967)
azidothymidine

>  <Target> (967)
Reverse Transcriptase

>  <Form> (967)
Free Base

>  <URL> (967)
http://www.selleckchem.com/products/zidovudine-retrovir.html

>  <CAS Number> (967)
30516-87-1

$$$$
10-DAB.cdx
csChFnd80/07171813082D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (968)
1092

>  <Formula> (968)
C29H36O10

>  <MolWeight> (968)
544.59014

>  <Item Name> (968)
10-DAB (10-Deacetylbaccatin)

>  <Catalog Number> (968)
S2409

>  <Synonyms> (968)
N/A 

>  <Target> (968)
Others

>  <Form> (968)
Free Base

>  <URL> (968)
http://www.selleckchem.com/products/10-dab-10-deacetylbaccatin.html

>  <CAS Number> (968)
32981-86-5

$$$$
Cephalomannine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (969)
1093

>  <Formula> (969)
C45H53NO14

>  <MolWeight> (969)
831.90062

>  <Item Name> (969)
Cephalomannine

>  <Catalog Number> (969)
S2408

>  <Synonyms> (969)
N/A

>  <Target> (969)
Others

>  <Form> (969)
Free Base

>  <URL> (969)
http://www.selleckchem.com/products/cephalomannine.html

>  <CAS Number> (969)
71610-00-9

$$$$
Genipin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (970)
1094

>  <Formula> (970)
C11H14O5

>  <MolWeight> (970)
226.22586

>  <Item Name> (970)
Genipin

>  <Catalog Number> (970)
S2412

>  <Synonyms> (970)
N/A

>  <Target> (970)
Others

>  <Form> (970)
Free Base

>  <URL> (970)
http://www.selleckchem.com/products/genipin.html

>  <CAS Number> (970)
6902-77-8

$$$$
Geniposide.cdx
csChFnd80/07171813082D

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>  <Synonyms> (971)
N/A

>  <Target> (971)
Others

>  <Form> (971)
Free Base

>  <URL> (971)
http://www.selleckchem.com/products/geniposide.html

>  <CAS Number> (971)
24512-63-8

$$$$
Geniposidic acid.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (972)
1096

>  <Formula> (972)
C16H22O10

>  <MolWeight> (972)
374.33988

>  <Item Name> (972)
Geniposidic acid

>  <Catalog Number> (972)
S2413

>  <Synonyms> (972)
N/A

>  <Target> (972)
Immunology & Inflammation related

>  <Form> (972)
Free Base

>  <URL> (972)
http://www.selleckchem.com/products/geniposidic-acid.html

>  <CAS Number> (972)
27741-01-1

$$$$
Gliclazide.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (973)
1097

>  <Formula> (973)
C15H21N3O3S

>  <MolWeight> (973)
323.41054

>  <Item Name> (973)
Gliclazide (Diamicron)

>  <Catalog Number> (973)
S2601 

>  <Synonyms> (973)
N/A 

>  <Target> (973)
Potassium Channel

>  <Form> (973)
Free Base

>  <URL> (973)
http://www.selleckchem.com/products/gliclazide-diamicron.html

>  <CAS Number> (973)
21187-98-4

$$$$
Idebenone.cdx
csChFnd80/07171813082D

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1098

>  <Formula> (974)
C19H30O5

>  <MolWeight> (974)
338.4385

>  <Item Name> (974)
Idebenone

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S2605 

>  <Synonyms> (974)
N/A

>  <Target> (974)
ROS

>  <Form> (974)
Free Base

>  <URL> (974)
http://www.selleckchem.com/products/idebenone.html

>  <CAS Number> (974)
58186-27-9

$$$$
Paeoniflorin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (975)
1099

>  <Formula> (975)
C23H28O11

>  <MolWeight> (975)
480.46182

>  <Item Name> (975)
Paeoniflorin

>  <Catalog Number> (975)
S2410

>  <Synonyms> (975)
N/A

>  <Target> (975)
Others

>  <Form> (975)
Free Base

>  <URL> (975)
http://www.selleckchem.com/products/paeoniflorin.html

>  <CAS Number> (975)
23180-57-6 

$$$$
Quinapril hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (976)
1100

>  <Formula> (976)
C25H31ClN2O5

>  <MolWeight> (976)
474.97704

>  <Item Name> (976)
Quinapril hydrochloride (Accupril)

>  <Catalog Number> (976)
S2581

>  <Synonyms> (976)
N/A 

>  <Target> (976)
RAAS

>  <Form> (976)
Hydrochloride

>  <URL> (976)
http://www.selleckchem.com/products/quinapril-hydrochloride-accupril.html

>  <CAS Number> (976)
82586-55-8

$$$$
Scopine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (977)
1102

>  <Formula> (977)
C8H13NO2

>  <MolWeight> (977)
155.19432

>  <Item Name> (977)
Scopine

>  <Catalog Number> (977)
S2545

>  <Synonyms> (977)
N/A

>  <Target> (977)
Adrenergic Receptor

>  <Form> (977)
Free Base

>  <URL> (977)
http://www.selleckchem.com/products/scopine.html

>  <CAS Number> (977)
498-45-3

$$$$
Atracurium besylate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (978)
1103

>  <Formula> (978)
C65H82N2O18S2

>  <MolWeight> (978)
1243.47918

>  <Item Name> (978)
Atracurium besylate

>  <Catalog Number> (978)
S1832

>  <Synonyms> (978)
N/A

>  <Target> (978)
AChR

>  <Form> (978)
Dibesylate

>  <URL> (978)
http://www.selleckchem.com/products/atracurium-besylate.html

>  <CAS Number> (978)
64228-81-5

$$$$
Captopril.cdx
csChFnd80/07171813082D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.8903    4.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 14  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
>  <Mol_ID> (979)
1104

>  <Formula> (979)
C9H15NO3S

>  <MolWeight> (979)
217.2853

>  <Item Name> (979)
Captopril (Capoten)

>  <Catalog Number> (979)
S2051

>  <Synonyms> (979)
N/A 

>  <Target> (979)
RAAS

>  <Form> (979)
Free Base

>  <URL> (979)
http://www.selleckchem.com/products/captopril-capoten.html

>  <CAS Number> (979)
62571-86-2

$$$$
Clindamycin phosphate.cdx
csChFnd80/07171813082D

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.0034    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0034    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2158    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4282    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.0655    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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 19 15  1  0  0  0  0
  2 20  1  6  0  0  0
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  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
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 21 28  1  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> (980)
1105

>  <Formula> (980)
C18H34ClN2O8PS

>  <MolWeight> (980)
504.962921

>  <Item Name> (980)
Clindamycin phosphate

>  <Catalog Number> (980)
S2048

>  <Synonyms> (980)
N/A

>  <Target> (980)
Antifection

>  <Form> (980)
Free Base

>  <URL> (980)
http://www.selleckchem.com/products/clindamycin-phosphate.html

>  <CAS Number> (980)
24729-96-2

$$$$
Cyproterone acetate.cdx
csChFnd80/07171813082D

 32 36  0  0  0  0  0  0  0  0999 V2000
    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  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4162    6.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    5.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4225    6.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    3.9326    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  1  0  0  0  0
  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
  7 18  1  0  0  0  0
  2 19  2  0  0  0  0
  1 20  1  6  0  0  0
  6 20  1  6  0  0  0
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 17 29  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (981)
1107

>  <Formula> (981)
C24H29ClO4

>  <MolWeight> (981)
416.93766

>  <Item Name> (981)
Cyproterone acetate

>  <Catalog Number> (981)
S2042

>  <Synonyms> (981)
N/A

>  <Target> (981)
Androgen Receptor/P450

>  <Form> (981)
Free Base

>  <URL> (981)
http://www.selleckchem.com/products/cyproterone-acetate.html

>  <CAS Number> (981)
427-51-0

$$$$
Cytidine.cdx
csChFnd80/07171813082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.3789    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5914    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8038    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8038    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1707    5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1707    2.9579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8917    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6550    1.2745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0244    1.5656    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
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  6  1  1  0  0  0  0
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  9  2  1  1  0  0  0
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 13  9  1  0  0  0  0
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 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (982)
1108

>  <Formula> (982)
C9H13N3O5

>  <MolWeight> (982)
243.21662

>  <Item Name> (982)
Cytidine

>  <Catalog Number> (982)
S2053

>  <Synonyms> (982)
N/A

>  <Target> (982)
Others

>  <Form> (982)
Free Base

>  <URL> (982)
http://www.selleckchem.com/products/cytidine.html

>  <CAS Number> (982)
65-46-3

$$$$
Doxifluridine.cdx
csChFnd80/07171813082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    3.6233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    4.6637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (983)
1109

>  <Formula> (983)
C9H11FN2O5

>  <MolWeight> (983)
246.1924432

>  <Item Name> (983)
Doxifluridine

>  <Catalog Number> (983)
S2045

>  <Synonyms> (983)
N/A

>  <Target> (983)
Phosphorylase

>  <Form> (983)
Free Base

>  <URL> (983)
http://www.selleckchem.com/products/doxifluridine.html

>  <CAS Number> (983)
3094-09-5

$$$$
Etidronate.cdx
csChFnd80/07171813082D

 11 10  0  0  0  0  0  0  0  0999 V2000
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    2.2308    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0980    1.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5668    0.9607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (984)
1110

>  <Formula> (984)
C2H8O7P2

>  <MolWeight> (984)
206.028242

>  <Item Name> (984)
Etidronate (Didronel)

>  <Catalog Number> (984)
S1857

>  <Synonyms> (984)
N/A 

>  <Target> (984)
phosphatase

>  <Form> (984)
Free Base

>  <URL> (984)
http://www.selleckchem.com/products/etidronate-didronel.html

>  <CAS Number> (984)
2809-21-4

$$$$
Gimeracil.cdx
csChFnd80/07171813082D

  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 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (985)
1111

>  <Formula> (985)
C5H4ClNO2

>  <MolWeight> (985)
145.54376

>  <Item Name> (985)
Gimeracil

>  <Catalog Number> (985)
S2055

>  <Synonyms> (985)
N/A

>  <Target> (985)
Dehydrogenase

>  <Form> (985)
Free Base

>  <URL> (985)
http://www.selleckchem.com/products/gimeracil.html

>  <CAS Number> (985)
103766-25-2

$$$$
Lornoxicam.cdx
csChFnd80/07171813082D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    1.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    3.7451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  8  3  1  0  0  0  0
  2  9  1  0  0  0  0
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 13  2  2  0  0  0  0
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 14 15  2  0  0  0  0
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 16 12  1  0  0  0  0
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  0  0  0  0
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 19  1  1  0  0  0  0
 15 21  1  0  0  0  0
 10 22  2  0  0  0  0
 10 23  2  0  0  0  0
M  END
>  <Mol_ID> (986)
1112

>  <Formula> (986)
C13H10ClN3O4S2

>  <MolWeight> (986)
371.8192

>  <Item Name> (986)
Lornoxicam (Xefo)

>  <Catalog Number> (986)
S2047

>  <Synonyms> (986)
N/A 

>  <Target> (986)
COX

>  <Form> (986)
Free Base

>  <URL> (986)
http://www.selleckchem.com/products/lornoxicam-xefo.html

>  <CAS Number> (986)
70374-39-9

$$$$
Memantine HCl.cdx
csChFnd80/07171813082D

 14 15  0  0  0  0  0  0  0  0999 V2000
    8.3216    0.9987    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    1.2124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6476    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937    0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7019    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    3.3124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9937    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    0.8513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    4.7124    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
  5  6  1  0  0  0  0
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  7  2  1  0  0  0  0
  2  8  1  0  0  0  0
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  8 10  1  0  0  0  0
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  4 11  1  0  0  0  0
 11 10  1  0  0  0  0
  2 12  1  0  0  0  0
  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (987)
1113

>  <Formula> (987)
C12H22ClN

>  <MolWeight> (987)
215.76278

>  <Item Name> (987)
Memantine hydrochloride (Namenda)

>  <Catalog Number> (987)
S2043

>  <Synonyms> (987)
N/A 

>  <Target> (987)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (987)
Hydrochloride

>  <URL> (987)
http://www.selleckchem.com/products/memantine-hydrochloride-namenda.html

>  <CAS Number> (987)
41100-52-1

$$$$
Metoprolol tartrate.cdx
csChFnd80/07171813082D

 48 47  0  0  0  0  0  0  0  0999 V2000
   23.1152    4.7707    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.3318    5.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9027    5.4707    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6903    4.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5443    4.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3318    6.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4779    5.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6903    3.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9027    6.8707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1152    3.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6269   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9274   10.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8289   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4299   11.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1244   10.1215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8239    8.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2229    8.9100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.9224   10.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3214    3.9659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3214    6.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4199    5.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9224    1.5428    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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 45 47  1  0  0  0  0
 42 48  1  0  0  0  0
M  END
>  <Mol_ID> (988)
1114

>  <Formula> (988)
C34H56N2O12

>  <MolWeight> (988)
684.81464

>  <Item Name> (988)
Metoprolol tartrate

>  <Catalog Number> (988)
S1856

>  <Synonyms> (988)
N/A

>  <Target> (988)
Adrenergic Receptor

>  <Form> (988)
Tartrate

>  <URL> (988)
http://www.selleckchem.com/products/metoprolol-tartrate.html

>  <CAS Number> (988)
392-17-7

$$$$
Nimesulide.cdx
csChFnd80/07171813082D

 21 22  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
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    2.4207    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
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 21  9  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (989)
1115

>  <Formula> (989)
C13H12N2O5S

>  <MolWeight> (989)
308.30978

>  <Item Name> (989)
Nimesulide

>  <Catalog Number> (989)
S2040

>  <Synonyms> (989)
N/A

>  <Target> (989)
COX

>  <Form> (989)
Free Base

>  <URL> (989)
http://www.selleckchem.com/products/nimesulide.html

>  <CAS Number> (989)
51803-78-2

$$$$
Noradrenaline bitartrate.cdx
csChFnd80/07171813082D

 26 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    2.7976    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
    4.8413    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  0  0  0  0  0  0  0  0  0  0
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    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.0100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6082    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8206    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0288    1.5483    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8206    3.6410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2371    2.2458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4453    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6535    2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4453    0.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3288    0.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5371    3.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7288    0.3358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0722    1.7792    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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  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
  9 12  1  1  0  0  0
  9 13  1  6  0  0  0
 14 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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 16 22  1  1  0  0  0
 18 23  1  1  0  0  0
 18 24  1  6  0  0  0
 16 25  1  6  0  0  0
M  END
>  <Mol_ID> (990)
1116

>  <Formula> (990)
C12H19NO10

>  <MolWeight> (990)
337.27996

>  <Item Name> (990)
Noradrenaline bitartrate monohydrate (Levoph

>  <Catalog Number> (990)
S2615

>  <Synonyms> (990)
N/A 

>  <Target> (990)
Adrenergic Receptor

>  <Form> (990)
bitartrate monohydrate

>  <URL> (990)
http://www.selleckchem.com/products/noradrenaline-bitartrate-monohydrate-levophed.html

>  <CAS Number> (990)
108341-18-0

$$$$
Orphenadrine citrate.cdx
csChFnd80/07171813082D

 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
    4.8624    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    7.0146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2957    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2957    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    2.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    4.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5553    2.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7719    3.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9844    2.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1968    3.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4092    2.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6217    3.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8341    2.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6217    4.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7719    4.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1968    4.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9844    5.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5604    1.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  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
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  1  1  0  0  0  0
  4 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  4  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 22 29  2  0  0  0  0
 24 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 24 33  1  0  0  0  0
M  END
>  <Mol_ID> (991)
1117

>  <Formula> (991)
C24H31NO8

>  <MolWeight> (991)
461.50484

>  <Item Name> (991)
Orphenadrine citrate (Norflex)

>  <Catalog Number> (991)
S2054

>  <Synonyms> (991)
N/A 

>  <Target> (991)
AChR

>  <Form> (991)
Citrate

>  <URL> (991)
http://www.selleckchem.com/products/orphenadrine-citrate-norflex.html

>  <CAS Number> (991)
4682-36-4

$$$$
Oxytetracycline dihydrate.cdx
csChFnd80/07171813082D

 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
    4.8497    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.7229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.6229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    6.0229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.7229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.7229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    3.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.6229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.5302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.7205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    8.1181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.1181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.4181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    7.7129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    7.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.2229    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
  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
  3 19  1  0  0  0  0
 11 20  1  0  0  0  0
  7 21  2  0  0  0  0
  7  8  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 17 26  1  0  0  0  0
 13 27  1  6  0  0  0
 18 28  1  6  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 14 31  1  6  0  0  0
  9 32  1  6  0  0  0
 10 33  1  1  0  0  0
 10 34  1  6  0  0  0
 12 35  1  6  0  0  0
M  END
>  <Mol_ID> (992)
1118

>  <Formula> (992)
C22H28N2O11

>  <MolWeight> (992)
496.46452

>  <Item Name> (992)
Oxytetracycline dihydrate

>  <Catalog Number> (992)
S2052 

>  <Synonyms> (992)
N/A

>  <Target> (992)
Others

>  <Form> (992)
Dihydrate

>  <URL> (992)
http://www.selleckchem.com/products/oxytetracycline-dihydrate.html

>  <CAS Number> (992)
6153-64-6

$$$$
Pioglitazone hydrochloride.cdx
csChFnd80/07171813082D

 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
    7.2578    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.4524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    4.5500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6619    3.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0313    2.8666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7313    4.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7945    5.1194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6251    2.2241    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
  1  7  1  0  0  0  0
  7  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 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 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  2  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (993)
1119

>  <Formula> (993)
C19H21ClN2O3S

>  <MolWeight> (993)
392.89964

>  <Item Name> (993)
Pioglitazone hydrochloride (Actos)

>  <Catalog Number> (993)
S2046

>  <Synonyms> (993)
N/A 

>  <Target> (993)
P450 (e.g. CYP17)

>  <Form> (993)
Hydrochloride

>  <URL> (993)
http://www.selleckchem.com/products/pioglitazone-hydrochloride-actos.html

>  <CAS Number> (993)
112529-15-4

$$$$
Pramiracetam.cdx
csChFnd80/07171813082D

 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
    3.6719    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    5.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8802    3.5568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    4.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    3.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    4.2568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    5.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7257    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7257    3.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7257    2.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9339    4.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7626    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
  2  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
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  1 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 14  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (994)
1120

>  <Formula> (994)
C14H27N3O2

>  <MolWeight> (994)
269.38308

>  <Item Name> (994)
Pramiracetam

>  <Catalog Number> (994)
S2594

>  <Synonyms> (994)
N/A

>  <Target> (994)
Others

>  <Form> (994)
Free Base

>  <URL> (994)
http://www.selleckchem.com/products/pramiracetam.html

>  <CAS Number> (994)
68497-62-1

$$$$
TZ-3 (tioconazole)cdx.cdx
csChFnd80/07171813082D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.6280    6.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280    5.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    4.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    5.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    6.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    7.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4198    4.4210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    8.6137    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    3.0234    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6322    2.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    3.0234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5358    2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4726    3.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7726    4.7068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4032    4.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    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
  6  8  1  0  0  0  0
  3  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 12  1  0  0  0  0
 10 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  1  0  0  0  0
 22 18  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (995)
1122

>  <Formula> (995)
C16H13Cl3N2OS

>  <MolWeight> (995)
387.71122

>  <Item Name> (995)
Tioconazole

>  <Catalog Number> (995)
S1910

>  <Synonyms> (995)
N/A

>  <Target> (995)
Antifection

>  <Form> (995)
Free Base

>  <URL> (995)
http://www.selleckchem.com/products/tioconazole.html

>  <CAS Number> (995)
65899-73-2

$$$$
Valaciclovir hydrochloride.cdx
csChFnd80/07171813082D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    4.6424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    6.9076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    3.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    2.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6061    2.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0310    2.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    3.2424    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.4558    1.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    4.6424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0566    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  6  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  9 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
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (996)
1123

>  <Formula> (996)
C13H21ClN6O4

>  <MolWeight> (996)
360.79664

>  <Item Name> (996)
Valaciclovir HCl

>  <Catalog Number> (996)
S1876

>  <Synonyms> (996)
N/A

>  <Target> (996)
Antifection

>  <Form> (996)
Hydrochloride

>  <URL> (996)
http://www.selleckchem.com/products/valaciclovir-hcl.html

>  <CAS Number> (996)
124832-27-5 

$$$$

csChFnd80/07171813082D

 75 80  0  0  0  0  0  0  0  0999 V2000
   13.7118   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7118   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9242   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1366   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1366   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9242   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4994   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3490   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5614   -4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7739   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (997)
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>  <Formula> (997)
C58H66O15S2

>  <MolWeight> (997)
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>  <Item Name> (997)
TAK-875

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S2637

>  <Synonyms> (997)
N/A

>  <Target> (997)
GPR 

>  <Form> (997)
Hydrate

>  <URL> (997)
http://www.selleckchem.com/products/tak-875.html

>  <CAS Number> (997)
1374598-80-7

$$$$
OMNISCAN (gadodiamide).cdx
csChFnd80/07171813082D

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>  <Mol_ID> (998)
1125

>  <Formula> (998)
C16H28GdN5O9

>  <MolWeight> (998)
591.67162

>  <Item Name> (998)
Gadodiamide Hydrate

>  <Catalog Number> (998)
S1751

>  <Synonyms> (998)
Omniscan

>  <Target> (998)
Others

>  <Form> (998)
Hydrate

>  <URL> (998)
http://www.selleckchem.com/products/Gadodiamide(Omniscan).html

>  <CAS Number> (998)
122795-43-1

$$$$
AMG 458.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (999)
1127

>  <Formula> (999)
C30H29N5O5

>  <MolWeight> (999)
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>  <Item Name> (999)
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>  <Synonyms> (999)
N/A

>  <Target> (999)
c-Met

>  <Form> (999)
Free Base

>  <URL> (999)
http://www.selleckchem.com/products/amg458.html

>  <CAS Number> (999)
913376-83-7 

$$$$
Anacetrapib.cdx
csChFnd80/07171813082D

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>  <Formula> (1,000)
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>  <Item Name> (1,000)
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>  <Catalog Number> (1,000)
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>  <Synonyms> (1,000)
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>  <Target> (1,000)
CETP

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>  <URL> (1,000)
http://www.selleckchem.com/products/anacetrapib-mk-0859.html

>  <CAS Number> (1,000)
875446-37-0

$$$$
Arry-380.cdx
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N/A

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HER2, EGFR

>  <Form> (1,001)
Free Base

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http://www.selleckchem.com/products/arry-380.html

>  <CAS Number> (1,001)
937265-83-3

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PHA-848125.cdx
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CDK

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Free Base

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http://www.selleckchem.com/products/pha-848125.html

>  <CAS Number> (1,002)
802539-81-7

$$$$
PENETREX (enoxacin).cdx
csChFnd80/07171813082D

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1132

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C15H17FN4O3

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Enoxacin (Penetrex)

>  <Catalog Number> (1,003)
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>  <Synonyms> (1,003)
Almitil, Bactidan, Bactidron, Comprecin, Enoksetin, Enoxen, Enroxil, Enoxin, Enoxor, Flumark, Gyrami 

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Free Base

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http://www.selleckchem.com/products/Enoxacin(Penetrex).html

>  <CAS Number> (1,003)
74011-58-8

$$$$
CAPITAL SOLEIL 15 (avobenzone ).cdx
csChFnd80/07171813082D

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1133

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C20H22O3

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>  <Item Name> (1,004)
Avobenzone (Parsol 1789)

>  <Catalog Number> (1,004)
S1904

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>  <Target> (1,004)
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Free Base

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http://www.selleckchem.com/products/Avobenzone(Parsol-1789).html

>  <CAS Number> (1,004)
70356-09-1

$$$$
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65678-07-1

$$$$
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Potassium Channel

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19774-82-4

$$$$
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$$$$
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5142-23-4

$$$$
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1339928-25-4

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Capmatinib (INCB28060)

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S2788

>  <Synonyms> (1,047)
N/A

>  <Target> (1,047)
c-Met 

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Free Base

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http://www.selleckchem.com/products/incb28060.html

>  <CAS Number> (1,047)
1029712-80-8

$$$$
CP-690550.cdx
csChFnd80/07171813082D

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>  <Formula> (1,048)
C16H20N6O

>  <MolWeight> (1,048)
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>  <Item Name> (1,048)
Tofacitinib (CP-690550, Tasocitinib)

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Tasocitinib 

>  <Target> (1,048)
JAK

>  <Form> (1,048)
Free Base

>  <URL> (1,048)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

>  <CAS Number> (1,048)
477600-75-2

$$$$
Istradefylline (KW-6002).cdx
csChFnd80/07171813082D

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>  <Formula> (1,049)
C20H24N4O4

>  <MolWeight> (1,049)
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>  <Item Name> (1,049)
Istradefylline (KW-6002)

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S2790

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N/A

>  <Target> (1,049)
Adenosine Receptor

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Free Base

>  <URL> (1,049)
http://www.selleckchem.com/products/istradefylline-kw-6002.html

>  <CAS Number> (1,049)
155270-99-8

$$$$
Torcetrapib.cdx
csChFnd80/07171813082D

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>  <Formula> (1,050)
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N/A 

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CETP

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Free Base

>  <URL> (1,050)
http://www.selleckchem.com/products/torcetrapib-cp-529414.html

>  <CAS Number> (1,050)
262352-17-0

$$$$
WP1066.cdx
csChFnd80/07171813082D

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$$$$
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41621-49-2

$$$$
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433967-28-3

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Aloperine.cdx
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56293-29-9

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130641-38-2

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M  END
>  <Mol_ID> (1,081)
1220

>  <Formula> (1,081)
C23H35NaO7

>  <MolWeight> (1,081)
446.50957

>  <Item Name> (1,081)
Pravastatin sodium

>  <Catalog Number> (1,081)
S3036

>  <Synonyms> (1,081)
Selektine 

>  <Target> (1,081)
HMG-CoA Reductase

>  <Form> (1,081)
Free Base

>  <URL> (1,081)
http://www.selleckchem.com/products/pravastatin-pravachol.html

>  <CAS Number> (1,081)
81131-70-6

$$$$
Daunomycin HCL.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,082)
1221

>  <Formula> (1,082)
C27H30ClNO10

>  <MolWeight> (1,082)
563.9808

>  <Item Name> (1,082)
Daunorubicin HCl (Daunomycin HCl)

>  <Catalog Number> (1,082)
S3035

>  <Synonyms> (1,082)
N/A 

>  <Target> (1,082)
Telomerase

>  <Form> (1,082)
Hydrochloride

>  <URL> (1,082)
http://www.selleckchem.com/products/daunorubicin-hcl-daunomycin-hcl.html

>  <CAS Number> (1,082)
23541-50-6

$$$$
NVP-TAE226.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,083)
1222

>  <Formula> (1,083)
C23H25ClN6O3

>  <MolWeight> (1,083)
468.936

>  <Item Name> (1,083)
NVP-TAE226

>  <Catalog Number> (1,083)
S2820

>  <Synonyms> (1,083)
N/A 

>  <Target> (1,083)
FAK

>  <Form> (1,083)
Free Base

>  <URL> (1,083)
http://www.selleckchem.com/products/nvp-tae226.html

>  <CAS Number> (1,083)
761437-28-9

$$$$
JNJ1661010.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,084)
1224

>  <Formula> (1,084)
C19H19N5OS

>  <MolWeight> (1,084)
365.45206

>  <Item Name> (1,084)
JNJ 1661010

>  <Catalog Number> (1,084)
S2828

>  <Synonyms> (1,084)
N/A 

>  <Target> (1,084)
FAAH

>  <Form> (1,084)
Free Base

>  <URL> (1,084)
http://www.selleckchem.com/products/jnj-1661010.html

>  <CAS Number> (1,084)
681136-29-8

$$$$
ML133 HCL.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,090)
1231

>  <Formula> (1,090)
C23H36N2O2

>  <MolWeight> (1,090)
372.54414

>  <Item Name> (1,090)
Finasteride

>  <Catalog Number> (1,090)
S1197

>  <Synonyms> (1,090)
N/A 

>  <Target> (1,090)
5-alpha Reductase

>  <Form> (1,090)
Free Base

>  <URL> (1,090)
http://www.selleckchem.com/products/Finasteride.html

>  <CAS Number> (1,090)
98319-26-7

$$$$
Bisoprolol Fumarate.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (1,091)
1232

>  <Formula> (1,091)
C22H35NO8

>  <MolWeight> (1,091)
441.5152

>  <Item Name> (1,091)
Bisoprolol fumarate

>  <Catalog Number> (1,091)
S1206

>  <Synonyms> (1,091)
EMD33512

>  <Target> (1,091)
Adrenergic Receptor

>  <Form> (1,091)
fumarate

>  <URL> (1,091)
http://www.selleckchem.com/products/Bisoprolol-Fumarate.html

>  <CAS Number> (1,091)
104344-23-2

$$$$
Dacarbazine.cdx
csChFnd80/07171813082D

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  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,092)
1233

>  <Formula> (1,092)
C6H10N6O

>  <MolWeight> (1,092)
182.1832

>  <Item Name> (1,092)
Dacarbazine (DTIC-Dome)

>  <Catalog Number> (1,092)
S1221

>  <Synonyms> (1,092)
DTIC 

>  <Target> (1,092)
DNA/RNA Synthesis

>  <Form> (1,092)
Free Base

>  <URL> (1,092)
http://www.selleckchem.com/products/Dacarbazine.html

>  <CAS Number> (1,092)
4342-03-4

$$$$
Entecavir hydrate.cdx
csChFnd80/07171813082D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,093)
1234

>  <Formula> (1,093)
C12H17N5O4

>  <MolWeight> (1,093)
295.29448

>  <Item Name> (1,093)
Entecavir hydrate

>  <Catalog Number> (1,093)
S1252

>  <Synonyms> (1,093)
Baraclude 

>  <Target> (1,093)
Reverse Transcriptase

>  <Form> (1,093)
Hydrate

>  <URL> (1,093)
http://www.selleckchem.com/products/Entecavir.html

>  <CAS Number> (1,093)
209216-23-9

$$$$
Leucovorin Calcium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,094)
1235

>  <Formula> (1,094)
C20H31CaN7O12

>  <MolWeight> (1,094)
601.57784

>  <Item Name> (1,094)
Leucovorin Calcium Pentahydrate

>  <Catalog Number> (1,094)
S1236

>  <Synonyms> (1,094)
Calcium, Calcium Folinatc, Citrovorum Factor 

>  <Target> (1,094)
Others

>  <Form> (1,094)
Hydrate

>  <URL> (1,094)
http://www.selleckchem.com/products/Leucovorin-Calcium.html

>  <CAS Number> (1,094)
6035-45-6

$$$$
Rufinamide.cdx
csChFnd80/07171813082D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,095)
1236

>  <Formula> (1,095)
C10H8F2N4O

>  <MolWeight> (1,095)
238.1935264

>  <Item Name> (1,095)
Rufinamide (Banzel)

>  <Catalog Number> (1,095)
S1256

>  <Synonyms> (1,095)
Banzel 

>  <Target> (1,095)
Sodium Channel

>  <Form> (1,095)
Free Base

>  <URL> (1,095)
http://www.selleckchem.com/products/Rufinamide.html

>  <CAS Number> (1,095)
106308-44-5

$$$$
Acarbose.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,096)
1237

>  <Formula> (1,096)
C25H43NO18

>  <MolWeight> (1,096)
645.60482

>  <Item Name> (1,096)
Acarbose

>  <Catalog Number> (1,096)
S1271

>  <Synonyms> (1,096)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (1,096)
Others

>  <Form> (1,096)
Free Base

>  <URL> (1,096)
http://www.selleckchem.com/products/Acarbose.html

>  <CAS Number> (1,096)
56180-94-0

$$$$

csChFnd80/07171813082D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,097)
1239

>  <Formula> (1,097)
C19H24BrNO5S2

>  <MolWeight> (1,097)
490.43156

>  <Item Name> (1,097)
Tiotropium Bromide hydrate

>  <Catalog Number> (1,097)
S2547

>  <Synonyms> (1,097)
N/A 

>  <Target> (1,097)
AChR

>  <Form> (1,097)
quaternary-N bromide salt&hydr

>  <URL> (1,097)
http://www.selleckchem.com/products/Tiotropium-Bromide-hydrate.html

>  <CAS Number> (1,097)
139404-48-1

$$$$
Tioxolone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,098)
1240

>  <Formula> (1,098)
C7H4O3S

>  <MolWeight> (1,098)
168.16986

>  <Item Name> (1,098)
Tioxolone

>  <Catalog Number> (1,098)
S2603

>  <Synonyms> (1,098)
N/A 

>  <Target> (1,098)
Carbonic Anhydrase

>  <Form> (1,098)
Free Base

>  <URL> (1,098)
http://www.selleckchem.com/products/tioxolone.html

>  <CAS Number> (1,098)
4991-65-5

$$$$
ADX47273.cdx
csChFnd80/07171813082D

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Sodium salicylate.cdx
csChFnd80/07171813082D

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54-21-7

$$$$
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csChFnd80/07171813082D

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127-79-7

$$$$
Sulfamethazine.cdx
csChFnd80/07171813082D

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$$$$
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$$$$
TPCA-1.cdx
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  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,105)
1249

>  <Formula> (1,105)
C12H10FN3O2S

>  <MolWeight> (1,105)
279.2901032

>  <Item Name> (1,105)
TPCA-1

>  <Catalog Number> (1,105)
S2824

>  <Synonyms> (1,105)
N/A 

>  <Target> (1,105)
IKK

>  <Form> (1,105)
Free Base

>  <URL> (1,105)
http://www.selleckchem.com/products/tpca-1.html

>  <CAS Number> (1,105)
507475-17-4

$$$$
Trimethoprim.cdx
csChFnd80/07171813082D

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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.0000    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 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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  2  3  2  0  0  0  0
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M  END
>  <Mol_ID> (1,106)
1250

>  <Formula> (1,106)
C14H18N4O3

>  <MolWeight> (1,106)
290.31772

>  <Item Name> (1,106)
Trimethoprim

>  <Catalog Number> (1,106)
S3129

>  <Synonyms> (1,106)
N/A 

>  <Target> (1,106)
Antifection

>  <Form> (1,106)
Free Base

>  <URL> (1,106)
http://www.selleckchem.com/products/trimethoprim.html

>  <CAS Number> (1,106)
738-70-5

$$$$
Entacapone.cdx
csChFnd80/07171813082D

 22 22  0  0  0  0  0  0  0  0999 V2000
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    9.6995    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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 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> (1,107)
1251

>  <Formula> (1,107)
C14H15N3O5

>  <MolWeight> (1,107)
305.286

>  <Item Name> (1,107)
Entacapone

>  <Catalog Number> (1,107)
S3147 

>  <Synonyms> (1,107)
N/A 

>  <Target> (1,107)
Histone Methyltransferase

>  <Form> (1,107)
Free Base

>  <URL> (1,107)
http://www.selleckchem.com/products/entacapone.html

>  <CAS Number> (1,107)
130929-57-6

$$$$
Ibandronate sodium.cdx
csChFnd80/07171813082D

 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
    7.2746    3.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0632    5.5673    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,108)
1252

>  <Formula> (1,108)
C9H25NNaO8P2

>  <MolWeight> (1,108)
360.233992

>  <Item Name> (1,108)
Ibandronate sodium

>  <Catalog Number> (1,108)
S3148

>  <Synonyms> (1,108)
N/A 

>  <Target> (1,108)
Others

>  <Form> (1,108)
Sodium

>  <URL> (1,108)
http://www.selleckchem.com/products/ibandronate-sodium.html

>  <CAS Number> (1,108)
138926-19-9

$$$$
Estradiol Valerate.cdx
csChFnd80/07171813082D

 29 32  0  0  0  0  0  0  0  0999 V2000
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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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M  END
>  <Mol_ID> (1,109)
1253

>  <Formula> (1,109)
C23H32O3

>  <MolWeight> (1,109)
356.49838

>  <Item Name> (1,109)
Estradiol valerate

>  <Catalog Number> (1,109)
S3149

>  <Synonyms> (1,109)
N/A 

>  <Target> (1,109)
Estrogen/progestogen Receptor

>  <Form> (1,109)
Free Base

>  <URL> (1,109)
http://www.selleckchem.com/products/estradiol-valerate.html

>  <CAS Number> (1,109)
979-32-8

$$$$
Articaine hydrochloride.cdx
csChFnd80/07171813082D

 20 19  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0  0  0  0
  2  9  1  0  0  0  0
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  8 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,110)
1254

>  <Formula> (1,110)
C13H21ClN2O3S

>  <MolWeight> (1,110)
320.83544

>  <Item Name> (1,110)
Articaine HCl

>  <Catalog Number> (1,110)
S3150

>  <Synonyms> (1,110)
N/A 

>  <Target> (1,110)
Others

>  <Form> (1,110)
Hydrochloride

>  <URL> (1,110)
http://www.selleckchem.com/products/articaine-hydrochloride.html

>  <CAS Number> (1,110)
23964-57-0

$$$$
Gliquidone.cdx
csChFnd80/07171813082D

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 29 30  2  0  0  0  0
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 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> (1,111)
1255

>  <Formula> (1,111)
C27H33N3O6S

>  <MolWeight> (1,111)
527.63242

>  <Item Name> (1,111)
Gliquidone

>  <Catalog Number> (1,111)
S3151

>  <Synonyms> (1,111)
Glurenorm 

>  <Target> (1,111)
Potassium Channel

>  <Form> (1,111)
Free Base

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

>  <CAS Number> (1,111)
33342-05-1

$$$$
Butenafine Hydrochloride.cdx
csChFnd80/07171813082D

 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
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   11.2000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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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  1  2  1  0  0  0  0
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 11 12  1  0  0  0  0
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 15 16  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> (1,112)
1256

>  <Formula> (1,112)
C23H28ClN

>  <MolWeight> (1,112)
353.92812

>  <Item Name> (1,112)
Butenafine HCl

>  <Catalog Number> (1,112)
S3154

>  <Synonyms> (1,112)
N/A 

>  <Target> (1,112)
Antifection

>  <Form> (1,112)
HCl

>  <URL> (1,112)
http://www.selleckchem.com/products/butenafine-hydrochloride.html

>  <CAS Number> (1,112)
101827-46-7

$$$$
Mepivacaine hydrochloride.cdx
csChFnd80/07171813082D

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 11 16  2  0  0  0  0
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  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,113)
1257

>  <Formula> (1,113)
C15H23ClN2O

>  <MolWeight> (1,113)
282.80892

>  <Item Name> (1,113)
Mepivacaine HCl

>  <Catalog Number> (1,113)
S3155

>  <Synonyms> (1,113)
N/A 

>  <Target> (1,113)
Sodium Channel

>  <Form> (1,113)
HCl

>  <URL> (1,113)
http://www.selleckchem.com/products/mepivacaine-hydrochloride.html

>  <CAS Number> (1,113)
1722-62-9

$$$$
Tylosin tartrate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,114)
1258

>  <Formula> (1,114)
C50H83NO23

>  <MolWeight> (1,114)
1066.18692

>  <Item Name> (1,114)
Tylosin tartrate

>  <Catalog Number> (1,114)
S3162

>  <Synonyms> (1,114)
N/A 

>  <Target> (1,114)
Antifection

>  <Form> (1,114)
Tartrate

>  <URL> (1,114)
http://www.selleckchem.com/products/tylosin-tartrate.html

>  <CAS Number> (1,114)
74610-55-2

$$$$
Benztropine mesylate.cdx
csChFnd80/07171813082D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.1714    5.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,115)
1259

>  <Formula> (1,115)
C22H29NO4S

>  <MolWeight> (1,115)
403.53496

>  <Item Name> (1,115)
Benztropine mesylate

>  <Catalog Number> (1,115)
S3163

>  <Synonyms> (1,115)
N/A 

>  <Target> (1,115)
Histamine Receptor

>  <Form> (1,115)
Mesylate

>  <URL> (1,115)
http://www.selleckchem.com/products/benztropine-mesylate.html

>  <CAS Number> (1,115)
132-17-2

$$$$
L-Arginine hydrochloride.cdx
csChFnd80/07171813082D

 13 11  0  0  0  0  0  0  0  0999 V2000
    8.4871    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    3.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,116)
1260

>  <Formula> (1,116)
C6H15ClN4O2

>  <MolWeight> (1,116)
210.6619

>  <Item Name> (1,116)
L-Arginine HCl

>  <Catalog Number> (1,116)
S3174

>  <Synonyms> (1,116)
N/A 

>  <Target> (1,116)
NOS

>  <Form> (1,116)
HCl

>  <URL> (1,116)
http://www.selleckchem.com/products/l-Arginine-hydrochloride.html

>  <CAS Number> (1,116)
1119-34-2

$$$$
Betahistine dihydrochloride.cdx
csChFnd80/07171813082D

 12 10  0  0  0  0  0  0  0  0999 V2000
   22.3586    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3586    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5710    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7835    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7835    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5710    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9337    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7213    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5089    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2178    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8178    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,117)
1261

>  <Formula> (1,117)
C8H14Cl2N2

>  <MolWeight> (1,117)
209.11616

>  <Item Name> (1,117)
Betahistine 2HCl

>  <Catalog Number> (1,117)
S3176

>  <Synonyms> (1,117)
N/A 

>  <Target> (1,117)
Histamine Receptor

>  <Form> (1,117)
2HCl

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

>  <CAS Number> (1,117)
5579-84-0

$$$$
Brinzolamide.cdx
csChFnd80/07171813082D

 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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  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
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  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> (1,118)
1262

>  <Formula> (1,118)
C12H21N3O5S3

>  <MolWeight> (1,118)
383.50724

>  <Item Name> (1,118)
Brinzolamide

>  <Catalog Number> (1,118)
S3178

>  <Synonyms> (1,118)
Azopt 

>  <Target> (1,118)
Carbonic Anhydrase

>  <Form> (1,118)
Free Base

>  <URL> (1,118)
http://www.selleckchem.com/products/brinzolamide.html

>  <CAS Number> (1,118)
138890-62-7

$$$$
Carbenicillin disodium.cdx
csChFnd80/07171813082D

 29 29  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.8719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7929    6.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9960    2.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.0830    7.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.9759    0.9899    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    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
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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  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
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 22 23  1  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> (1,119)
1263

>  <Formula> (1,119)
C17H16N2Na2O6S

>  <MolWeight> (1,119)
422.36328

>  <Item Name> (1,119)
Carbenicillin disodium

>  <Catalog Number> (1,119)
S3179

>  <Synonyms> (1,119)
N/A 

>  <Target> (1,119)
Antifection

>  <Form> (1,119)
Disodium

>  <URL> (1,119)
http://www.selleckchem.com/products/carbenicillin-disodium.html

>  <CAS Number> (1,119)
4800-94-6

$$$$
Eletriptan hydrobromide.cdx
csChFnd80/07171813082D

 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
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    0.0000    5.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 15 16  1  0  0  0  0
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 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
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 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> (1,120)
1264

>  <Formula> (1,120)
C22H27BrN2O2S

>  <MolWeight> (1,120)
463.43098

>  <Item Name> (1,120)
Eletriptan HBr

>  <Catalog Number> (1,120)
S3180

>  <Synonyms> (1,120)
N/A 

>  <Target> (1,120)
5-HT Receptor

>  <Form> (1,120)
HBr

>  <URL> (1,120)
http://www.selleckchem.com/products/eletriptan-hydrobromide.html

>  <CAS Number> (1,120)
177834-92-3

$$$$
Flumequine.cdx
csChFnd80/07171813082D

 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> (1,121)
1265

>  <Formula> (1,121)
C14H12FNO3

>  <MolWeight> (1,121)
261.2483832

>  <Item Name> (1,121)
Flumequine

>  <Catalog Number> (1,121)
S3181

>  <Synonyms> (1,121)
N/A 

>  <Target> (1,121)
Topoisomerase

>  <Form> (1,121)
Free Base

>  <URL> (1,121)
http://www.selleckchem.com/products/flumequine.html

>  <CAS Number> (1,121)
42835-25-6

$$$$
Ticarcillin sodium.cdx
csChFnd80/07171813082D

 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
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   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
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   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
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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
  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
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 15 16  2  0  0  0  0
 17 15  1  1  0  0  0
 18 19  2  0  0  0  0
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 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> (1,122)
1266

>  <Formula> (1,122)
C15H16N2Na2O6S2

>  <MolWeight> (1,122)
430.40688

>  <Item Name> (1,122)
Ticarcillin sodium

>  <Catalog Number> (1,122)
S3193

>  <Synonyms> (1,122)
N/A 

>  <Target> (1,122)
Others

>  <Form> (1,122)
Sodium

>  <URL> (1,122)
http://www.selleckchem.com/products/ticarcillin-sodium.html

>  <CAS Number> (1,122)
29457-07-6

$$$$
Azlocillin sodium salt.cdx
csChFnd80/07171813082D

 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
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    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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    4.9000   10.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   10.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000   10.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   12.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   12.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   12.8413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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 14 15  1  0  0  0  0
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 24 25  1  0  0  0  0
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 24 28  1  0  0  0  0
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M  END
>  <Mol_ID> (1,123)
1267

>  <Formula> (1,123)
C20H23N5NaO6S

>  <MolWeight> (1,123)
484.48129

>  <Item Name> (1,123)
Azlocillin sodium salt

>  <Catalog Number> (1,123)
S3195

>  <Synonyms> (1,123)
N/A 

>  <Target> (1,123)
Antifection

>  <Form> (1,123)
Sodium Salt

>  <URL> (1,123)
http://www.selleckchem.com/products/azlocillin-sodium-salt.html

>  <CAS Number> (1,123)
37091-65-9

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (1,124)
1268

>  <Formula> (1,124)
C21H26Cl2F3N3S

>  <MolWeight> (1,124)
480.4174496

>  <Item Name> (1,124)
Trifluoperazine 2HCl

>  <Catalog Number> (1,124)
S3201

>  <Synonyms> (1,124)
 N/A 

>  <Target> (1,124)
Dopamine Receptor

>  <Form> (1,124)
Dihydrochlorid

>  <URL> (1,124)
http://www.selleckchem.com/products/trifluoperazine-dihydrochloride.html

>  <CAS Number> (1,124)
440-17-5

$$$$
Meptazinol hydrochloride.cdx
csChFnd80/07171813082D

 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
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    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
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M  END
>  <Mol_ID> (1,125)
1269

>  <Formula> (1,125)
C15H24ClNO

>  <MolWeight> (1,125)
269.81016

>  <Item Name> (1,125)
Meptazinol HCl

>  <Catalog Number> (1,125)
S3204

>  <Synonyms> (1,125)
N/A 

>  <Target> (1,125)
Opioid Receptor

>  <Form> (1,125)
HCl

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

>  <CAS Number> (1,125)
59263-76-2

$$$$
Adrenalone hydrochloride.cdx
csChFnd80/07171813082D

 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
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    6.3000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    1.4000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    3.7302    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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M  END
>  <Mol_ID> (1,126)
1270

>  <Formula> (1,126)
C9H12ClNO3

>  <MolWeight> (1,126)
217.64948

>  <Item Name> (1,126)
Adrenalone HCl

>  <Catalog Number> (1,126)
S3185

>  <Synonyms> (1,126)
N/A 

>  <Target> (1,126)
Adrenergic Receptor

>  <Form> (1,126)
hydrochloride

>  <URL> (1,126)
http://www.selleckchem.com/products/adrenalone-hcl.html

>  <CAS Number> (1,126)
62-13-5

$$$$
Azacyclonol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,127)
1271

>  <Formula> (1,127)
C18H21NO

>  <MolWeight> (1,127)
267.36544

>  <Item Name> (1,127)
Azacyclonol

>  <Catalog Number> (1,127)
S3196

>  <Synonyms> (1,127)
N/A 

>  <Target> (1,127)
5-HT Receptor

>  <Form> (1,127)
Free Base

>  <URL> (1,127)
http://www.selleckchem.com/products/azacyclonol.html

>  <CAS Number> (1,127)
115-46-8

$$$$
Reboxetine mesylate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,128)
1272

>  <Formula> (1,128)
C20H27NO6S

>  <MolWeight> (1,128)
409.49648

>  <Item Name> (1,128)
Reboxetine mesylate

>  <Catalog Number> (1,128)
S3199 

>  <Synonyms> (1,128)
N/A 

>  <Target> (1,128)
Others

>  <Form> (1,128)
Mesylate

>  <URL> (1,128)
http://www.selleckchem.com/products/reboxetine-mesylate.html

>  <CAS Number> (1,128)
98769-84-7

$$$$
Triflusal.cdx
csChFnd80/07171813082D

 17 17  0  0  0  0  0  0  0  0999 V2000
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322-79-2

$$$$
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csChFnd80/07171813082D

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http://www.selleckchem.com/products/azd6482.html

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1173900-33-8

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/07171813082D

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EGFR

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Free Base

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http://www.selleckchem.com/products/arry334543.html

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845272-21-1

$$$$
Xylazine HCl.cdx
csChFnd80/07171813082D

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Xylazine HCl

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S2516

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Adrenergic Receptor

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Hydrochloride

>  <URL> (1,132)
http://www.selleckchem.com/products/Xylazine(Rompun).html

>  <CAS Number> (1,132)
23076-35-9

$$$$
Catharanthine.cdx
csChFnd80/07171813082D

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1279

>  <Formula> (1,133)
C21H24N2O2

>  <MolWeight> (1,133)
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>  <Item Name> (1,133)
Catharanthine

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S3202

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N/A 

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AChR

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Free Base

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

>  <CAS Number> (1,133)
2468-21-5

$$$$
Fexofenadine HCl.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,134)
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>  <Formula> (1,134)
C32H40ClNO4

>  <MolWeight> (1,134)
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>  <Item Name> (1,134)
Fexofenadine HCl

>  <Catalog Number> (1,134)
S3208

>  <Synonyms> (1,134)
N/A 

>  <Target> (1,134)
Histamine Receptor

>  <Form> (1,134)
hydrochloride

>  <URL> (1,134)
http://www.selleckchem.com/products/fexofenadine-hcl.html

>  <CAS Number> (1,134)
153439-40-8

$$$$
Thiamine hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,135)
1282

>  <Formula> (1,135)
C12H18Cl2N4OS

>  <MolWeight> (1,135)
337.26852

>  <Item Name> (1,135)
Thiamine HCl (Vitamin B1)

>  <Catalog Number> (1,135)
S3211

>  <Synonyms> (1,135)
N/A

>  <Target> (1,135)
Vitamin

>  <Form> (1,135)
Hydrochloride

>  <URL> (1,135)
http://www.selleckchem.com/products/thiamine-hcl-vitamin-b1.html

>  <CAS Number> (1,135)
67-03-8

$$$$
Moclobemide.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,136)
1283

>  <Formula> (1,136)
C13H17ClN2O2

>  <MolWeight> (1,136)
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>  <Item Name> (1,136)
Moclobemide (Ro 111163)

>  <Catalog Number> (1,136)
S3212

>  <Synonyms> (1,136)
N/A 

>  <Target> (1,136)
MAO

>  <Form> (1,136)
Free Base

>  <URL> (1,136)
http://www.selleckchem.com/products/moclobemide.html

>  <CAS Number> (1,136)
71320-77-9

$$$$
Tideglusib.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,137)
1284

>  <Formula> (1,137)
C19H14N2O2S

>  <MolWeight> (1,137)
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>  <Item Name> (1,137)
Tideglusib

>  <Catalog Number> (1,137)
S2823

>  <Synonyms> (1,137)
N/A 

>  <Target> (1,137)
GSK-3

>  <Form> (1,137)
Free Base

>  <URL> (1,137)
http://www.selleckchem.com/products/tideglusib.html

>  <CAS Number> (1,137)
865854-05-3 

$$$$
ARN-509.cdx
csChFnd80/07171813082D

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$$$$
carfilzomib(PR-171).cdx
csChFnd80/07171813082D

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868540-17-4

$$$$
VIOXX (rofecoxib).cdx
csChFnd80/07171813082D

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COX

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N/A 

$$$$
Azilsartan.cdx
csChFnd80/07171813082D

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Calcium Channel

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26328-04-1

$$$$
BML-190.cdx
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Cannabinoid Receptor

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$$$$
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194413-58-6

$$$$
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$$$$
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$$$$
SB-269970 HCl.cdx
csChFnd80/07171813082D

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261901-57-9

$$$$
AM251.cdx
csChFnd80/07171813082D

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183232-66-8

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$$$$
Otilonium Bromide.cdx
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M  END
>  <Mol_ID> (1,152)
1301

>  <Formula> (1,152)
C29H43BrN2O4

>  <MolWeight> (1,152)
563.56672

>  <Item Name> (1,152)
Otilonium Bromide

>  <Catalog Number> (1,152)
S3047

>  <Synonyms> (1,152)
N/A

>  <Target> (1,152)
AChR

>  <Form> (1,152)
quaternary-N bromide salt

>  <URL> (1,152)
http://www.selleckchem.com/products/otilonium-bromide.html

>  <CAS Number> (1,152)
26095-59-0

$$$$
Palonosetron HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,153)
1302

>  <Formula> (1,153)
C19H25ClN2O

>  <MolWeight> (1,153)
332.8676

>  <Item Name> (1,153)
Palonosetron HCl

>  <Catalog Number> (1,153)
S3050

>  <Synonyms> (1,153)
N/A 

>  <Target> (1,153)
5-HT Receptor

>  <Form> (1,153)
HCL

>  <URL> (1,153)
http://www.selleckchem.com/products/palonosetron-hcl.html

>  <CAS Number> (1,153)
135729-62-3

$$$$
Cyclocytidine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,154)
1303

>  <Formula> (1,154)
C9H12ClN3O4

>  <MolWeight> (1,154)
261.66228

>  <Item Name> (1,154)
Cyclocytidine HCl

>  <Catalog Number> (1,154)
S1973

>  <Synonyms> (1,154)
N/A 

>  <Target> (1,154)
DNA/RNA Synthesis

>  <Form> (1,154)
Hydrochloride

>  <URL> (1,154)
http://www.selleckchem.com/products/cyclocytidine-hcl.html

>  <CAS Number> (1,154)
10212-25-6

$$$$
IMD0354.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,155)
1304

>  <Formula> (1,155)
C15H8ClF6NO2

>  <MolWeight> (1,155)
383.6729392

>  <Item Name> (1,155)
IMD0354

>  <Catalog Number> (1,155)
S2864

>  <Synonyms> (1,155)
N/A

>  <Target> (1,155)
IKK

>  <Form> (1,155)
Free Base

>  <URL> (1,155)
http://www.selleckchem.com/products/imd-0354.html

>  <CAS Number> (1,155)
978-62-1

$$$$
ML130.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,156)
1305

>  <Formula> (1,156)
C14H13N3O2S

>  <MolWeight> (1,156)
287.33692

>  <Item Name> (1,156)
ML130

>  <Catalog Number> (1,156)
S2863

>  <Synonyms> (1,156)
N/A

>  <Target> (1,156)
NOD1

>  <Form> (1,156)
Free Base

>  <URL> (1,156)
http://www.selleckchem.com/products/ml130.html

>  <CAS Number> (1,156)
799264-47-4

$$$$
T0070907.cdx
csChFnd80/07171813082D

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S2867

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N/A

>  <Target> (1,161)
JAK, EGFR

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Free Base

>  <URL> (1,161)
http://www.selleckchem.com/products/whi-p154.html

>  <CAS Number> (1,161)
211555-04-3

$$$$
VUF 10166.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,162)
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N/A

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5-HT Receptor

>  <Form> (1,162)
Free Base

>  <URL> (1,162)
http://www.selleckchem.com/products/vuf-10166.html

>  <CAS Number> (1,162)
155584-74-0

$$$$
Alverine citrate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,163)
1312

>  <Formula> (1,163)
C26H35NO7

>  <MolWeight> (1,163)
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Alverine Citrate

>  <Catalog Number> (1,163)
S3054

>  <Synonyms> (1,163)
N/A

>  <Target> (1,163)
OX Receptor

>  <Form> (1,163)
Citrate

>  <URL> (1,163)
http://www.selleckchem.com/products/alverine-citrate.html

>  <CAS Number> (1,163)
5560-59-8

$$$$
Azelnidipine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,164)
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>  <MolWeight> (1,164)
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>  <Item Name> (1,164)
Azelnidipine

>  <Catalog Number> (1,164)
S3053

>  <Synonyms> (1,164)
N/A

>  <Target> (1,164)
Calcium Channel

>  <Form> (1,164)
Free Base

>  <URL> (1,164)
http://www.selleckchem.com/products/azelnidipine.html

>  <CAS Number> (1,164)
123524-52-7

$$$$
Solifenacin succinate.cdx
csChFnd80/07171813082D

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C27H32N2O6

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>  <Item Name> (1,165)
Solifenacin succinate

>  <Catalog Number> (1,165)
S3048

>  <Synonyms> (1,165)
N/A

>  <Target> (1,165)
AChR

>  <Form> (1,165)
Succinate

>  <URL> (1,165)
http://www.selleckchem.com/products/solifenacin-succinate.html

>  <CAS Number> (1,165)
242478-38-2

$$$$
Besifloxacin HCl.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,166)
1315

>  <Formula> (1,166)
C19H22Cl2FN3O3

>  <MolWeight> (1,166)
430.3006832

>  <Item Name> (1,166)
Besifloxacin HCl (Besivance)

>  <Catalog Number> (1,166)
S3055

>  <Synonyms> (1,166)
N/A

>  <Target> (1,166)
Others

>  <Form> (1,166)
Hydrochloride

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

>  <CAS Number> (1,166)
405165-61-9

$$$$
Forskolin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,167)
1316

>  <Formula> (1,167)
C22H34O7

>  <MolWeight> (1,167)
410.50116

>  <Item Name> (1,167)
Forskolin

>  <Catalog Number> (1,167)
S2449

>  <Synonyms> (1,167)
Coleonol

>  <Target> (1,167)
cAMP

>  <Form> (1,167)
Free Base

>  <URL> (1,167)
http://www.selleckchem.com/products/forskolin.html

>  <CAS Number> (1,167)
66575-29-9

$$$$
Chlorhexidine Hydrochloride.cdx
csChFnd80/07171813082D

 36 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,168)
1317

>  <Formula> (1,168)
C22H32Cl4N10

>  <MolWeight> (1,168)
578.36848

>  <Item Name> (1,168)
Chlorhexidine HCl

>  <Catalog Number> (1,168)
S3067

>  <Synonyms> (1,168)
N/A

>  <Target> (1,168)
Antifection

>  <Form> (1,168)
Dihydrochlorid

>  <URL> (1,168)
http://www.selleckchem.com/products/chlorhexidine-hcl.html

>  <CAS Number> (1,168)
3697-42-5

$$$$
Diclofenac Diethylamine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,169)
1318

>  <Formula> (1,169)
C18H22Cl2N2O2

>  <MolWeight> (1,169)
369.28548

>  <Item Name> (1,169)
Diclofenac Diethylamine

>  <Catalog Number> (1,169)
S3063

>  <Synonyms> (1,169)
N/A

>  <Target> (1,169)
COX

>  <Form> (1,169)
Diethylamine

>  <URL> (1,169)
http://www.selleckchem.com/products/diclofenac-diethylamine.html

>  <CAS Number> (1,169)
78213-16-8

$$$$
CATAFLAM (diclofenac potassium).cdx
csChFnd80/07171813082D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,170)
1319

>  <Formula> (1,170)
C14H10Cl2KNO2

>  <MolWeight> (1,170)
334.239

>  <Item Name> (1,170)
Diclofenac Potassium

>  <Catalog Number> (1,170)
S3062

>  <Synonyms> (1,170)
N/A

>  <Target> (1,170)
Immunology & Inflammation related

>  <Form> (1,170)
Potassium

>  <URL> (1,170)
http://www.selleckchem.com/products/diclofenac-potassium.html

>  <CAS Number> (1,170)
15307-81-0

$$$$
Enrofloxacin.cdx
csChFnd80/07171813082D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,171)
1320

>  <Formula> (1,171)
C19H22FN3O3

>  <MolWeight> (1,171)
359.3946832

>  <Item Name> (1,171)
Enrofloxacin

>  <Catalog Number> (1,171)
S3059

>  <Synonyms> (1,171)
N/A

>  <Target> (1,171)
Antifection

>  <Form> (1,171)
Free Base

>  <URL> (1,171)
http://www.selleckchem.com/products/enrofloxacin.html

>  <CAS Number> (1,171)
93106-60-6

$$$$
Hypoxanthine.cdx
csChFnd80/07171813082D

 10 11  0  0  0  0  0  0  0  0999 V2000
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    0.8229    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,172)
1323

>  <Formula> (1,172)
C5H4N4O

>  <MolWeight> (1,172)
136.11146

>  <Item Name> (1,172)
Hypoxanthine

>  <Catalog Number> (1,172)
S2424

>  <Synonyms> (1,172)
N/A

>  <Target> (1,172)
Others

>  <Form> (1,172)
Free Base

>  <URL> (1,172)
http://www.selleckchem.com/products/hypoxanthine.html

>  <CAS Number> (1,172)
68-94-0

$$$$
Inosine.cdx
csChFnd80/07171813082D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,173)
1324

>  <Formula> (1,173)
C10H12N4O5

>  <MolWeight> (1,173)
268.22608

>  <Item Name> (1,173)
Inosine

>  <Catalog Number> (1,173)
S2442

>  <Synonyms> (1,173)
N/A

>  <Target> (1,173)
Others

>  <Form> (1,173)
Free Base

>  <URL> (1,173)
http://www.selleckchem.com/products/inosine.html

>  <CAS Number> (1,173)
58-63-9

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/07171813082D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,174)
1325

>  <Formula> (1,174)
C28H37ClO7

>  <MolWeight> (1,174)
521.04218

>  <Item Name> (1,174)
Beclomethasone dipropionate 

>  <Catalog Number> (1,174)
S3078

>  <Synonyms> (1,174)
Beclometasone dipropionate

>  <Target> (1,174)
Glucocorticoid Receptor

>  <Form> (1,174)
Free Base

>  <URL> (1,174)
http://www.selleckchem.com/products/beclomethasone-dipropionate.html

>  <CAS Number> (1,174)
5534-09-8

$$$$
Pircetam.cdx
csChFnd80/07171813082D

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    3.6373    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,175)
1327

>  <Formula> (1,175)
C6H10N2O2

>  <MolWeight> (1,175)
142.1558

>  <Item Name> (1,175)
Piracetam

>  <Catalog Number> (1,175)
S3070

>  <Synonyms> (1,175)
N/A

>  <Target> (1,175)
GluR

>  <Form> (1,175)
Free Base

>  <URL> (1,175)
http://www.selleckchem.com/products/piracetam.html

>  <CAS Number> (1,175)
7491-74-9

$$$$
Vanillin.cdx
csChFnd80/07171813082D

 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
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    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
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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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M  END
>  <Mol_ID> (1,176)
1328

>  <Formula> (1,176)
C8H8O3

>  <MolWeight> (1,176)
152.14732

>  <Item Name> (1,176)
Vanillin 

>  <Catalog Number> (1,176)
S3071

>  <Synonyms> (1,176)
N/A

>  <Target> (1,176)
Others

>  <Form> (1,176)
Free Base

>  <URL> (1,176)
http://www.selleckchem.com/products/vanillin.html

>  <CAS Number> (1,176)
121-33-5

$$$$
(R)-baclofen.cdx
csChFnd80/07171813082D

 14 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
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    4.8582    2.8073    0.0000 C   0  0  1  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
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M  END
>  <Mol_ID> (1,177)
1329

>  <Formula> (1,177)
C10H12ClNO2

>  <MolWeight> (1,177)
213.66078

>  <Item Name> (1,177)
(R)-baclofen

>  <Catalog Number> (1,177)
S3072

>  <Synonyms> (1,177)
N/A

>  <Target> (1,177)
GABA Receptor

>  <Form> (1,177)
Free Base

>  <URL> (1,177)
http://www.selleckchem.com/products/r-baclofen.html

>  <CAS Number> (1,177)
69308-37-8

$$$$
Dexmedetomidine.cdx
csChFnd80/07171813082D

 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
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    8.2695    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4282    1.3976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.0694    3.4899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.5685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,178)
1330

>  <Formula> (1,178)
C13H16N2

>  <MolWeight> (1,178)
200.27954

>  <Item Name> (1,178)
Dexmedetomidine

>  <Catalog Number> (1,178)
S3075

>  <Synonyms> (1,178)
N/A

>  <Target> (1,178)
Adrenergic Receptor

>  <Form> (1,178)
Free Base

>  <URL> (1,178)
http://www.selleckchem.com/products/dexmedetomidine.html

>  <CAS Number> (1,178)
113775-47-6

$$$$
Foscarnet Sodium.cdx
csChFnd80/07171813082D

 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
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    0.8400    1.4140    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,179)
1331

>  <Formula> (1,179)
CNa3O5P

>  <MolWeight> (1,179)
191.950771

>  <Item Name> (1,179)
Foscarnet Sodium

>  <Catalog Number> (1,179)
S3076

>  <Synonyms> (1,179)
N/A

>  <Target> (1,179)
Reverse Transcriptase

>  <Form> (1,179)
Sodium

>  <URL> (1,179)
http://www.selleckchem.com/products/foscarnet-sodium.html

>  <CAS Number> (1,179)
63585-09-1
63585-09-1

$$$$
Acesulfame potassium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,180)
1332

>  <Formula> (1,180)
C4H5KNO4S

>  <MolWeight> (1,180)
202.2501

>  <Item Name> (1,180)
Acesulfame Potassium 

>  <Catalog Number> (1,180)
S2884

>  <Synonyms> (1,180)
N/A

>  <Target> (1,180)
Others

>  <Form> (1,180)
Potassium Salt

>  <URL> (1,180)
http://www.selleckchem.com/products/acesulfame-potassium.html

>  <CAS Number> (1,180)
55589-62-3

$$$$
untitled.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,181)
1333

>  <Formula> (1,181)
C21H46NO4P

>  <MolWeight> (1,181)
407.568001

>  <Item Name> (1,181)
Miltefosine (Hexadecylphosphocholine)

>  <Catalog Number> (1,181)
S3056

>  <Synonyms> (1,181)
N/A

>  <Target> (1,181)
Akt

>  <Form> (1,181)
Free Base

>  <URL> (1,181)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

>  <CAS Number> (1,181)
58066-85-6

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,182)
1334

>  <Formula> (1,182)
C9H10O3

>  <MolWeight> (1,182)
166.1739

>  <Item Name> (1,182)
Apocynin (Acetovanillone)

>  <Catalog Number> (1,182)
S2425

>  <Synonyms> (1,182)
N/A

>  <Target> (1,182)
NADPH oxidase

>  <Form> (1,182)
Free Base

>  <URL> (1,182)
http://www.selleckchem.com/products/apocynin-acetovanillone.html

>  <CAS Number> (1,182)
498-02-2

$$$$
Schisandrin B.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,183)
1335

>  <Formula> (1,183)
C23H28O6

>  <MolWeight> (1,183)
400.46482

>  <Item Name> (1,183)
Schisandrin B

>  <Catalog Number> (1,183)
S3600

>  <Synonyms> (1,183)
N/A

>  <Target> (1,183)
Others

>  <Form> (1,183)
Free Base

>  <URL> (1,183)
http://www.selleckchem.com/products/schisandrin-b.html

>  <CAS Number> (1,183)
61281-37-6

$$$$
Gambogic acid.cdx
csChFnd80/07171813082D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,184)
1336

>  <Formula> (1,184)
C38H44O8

>  <MolWeight> (1,184)
628.75116

>  <Item Name> (1,184)
Gambogic Acid

>  <Catalog Number> (1,184)
S2448

>  <Synonyms> (1,184)
N/A

>  <Target> (1,184)
Bcl-2,Caspase

>  <Form> (1,184)
Free Base

>  <URL> (1,184)
http://www.selleckchem.com/products/gambogic-acid.html

>  <CAS Number> (1,184)
2752-65-0

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,185)
1337

>  <Formula> (1,185)
C22H19ClO3

>  <MolWeight> (1,185)
366.83746

>  <Item Name> (1,185)
Atovaquone (Atavaquone)

>  <Catalog Number> (1,185)
S3079

>  <Synonyms> (1,185)
N/A

>  <Target> (1,185)
Antifection

>  <Form> (1,185)
Free Base

>  <URL> (1,185)
http://www.selleckchem.com/products/atovaquone-atavaquone.html

>  <CAS Number> (1,185)
95233-18-4

$$$$
etravirine (TMC125).cdx
csChFnd80/07171813082D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    0.7000    4.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1165    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1165    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3247    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3289    5.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5371    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3247    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
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M  END
>  <Mol_ID> (1,200)
1353

>  <Formula> (1,200)
C28H32N2O7

>  <MolWeight> (1,200)
508.56288

>  <Item Name> (1,200)
Indacaterol Maleate

>  <Catalog Number> (1,200)
S3083

>  <Synonyms> (1,200)
N/A

>  <Target> (1,200)
Adrenergic Receptor

>  <Form> (1,200)
Maleate

>  <URL> (1,200)
http://www.selleckchem.com/products/indacaterol-maleate.html

>  <CAS Number> (1,200)
753498-25-8

$$$$
Hygromycin B.cdx
csChFnd80/07171813082D

 40 43  0  0  0  0  0  0  0  0999 V2000
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    1.2082    7.1856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4207    9.2856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    6.4881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   12.3808    3.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,201)
1355

>  <Formula> (1,201)
C20H37N3O13

>  <MolWeight> (1,201)
527.52008

>  <Item Name> (1,201)
Hygromycin B

>  <Catalog Number> (1,201)
S2908

>  <Synonyms> (1,201)
N/A

>  <Target> (1,201)
Antifection

>  <Form> (1,201)
Free Base

>  <URL> (1,201)
http://www.selleckchem.com/products/hygromycin-b.html

>  <CAS Number> (1,201)
31282-04-9

$$$$
Betulinic acid.cdx
csChFnd80/07171813082D

 37 41  0  0  0  0  0  0  0  0999 V2000
    8.5250    6.2476    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7513    5.5461    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3134    5.5461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8194    7.6016    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7513    4.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7715    6.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1051    5.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134    4.1532    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1067    6.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2025    7.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8971    8.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,202)
1356

>  <Formula> (1,202)
C30H48O3

>  <MolWeight> (1,202)
456.70032

>  <Item Name> (1,202)
Betulinic acid

>  <Catalog Number> (1,202)
S3603

>  <Target> (1,202)
N/A

>  <Form> (1,202)
Free Base

>  <URL> (1,202)
http://www.selleckchem.com/products/betulinic-acid.html

>  <CAS Number> (1,202)
472-15-1

$$$$
Triptolide.cdx
csChFnd80/07171813082D

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    9.9778    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,219)
1374

>  <Formula> (1,219)
C14H16ClN3O

>  <MolWeight> (1,219)
277.74934

>  <Item Name> (1,219)
JNJ-7777120

>  <Catalog Number> (1,219)
S2905

>  <Synonyms> (1,219)
JNJ 7777120

>  <Target> (1,219)
Histamine Receptor

>  <Form> (1,219)
Free Base

>  <URL> (1,219)
http://www.selleckchem.com/products/jnj-7777120.html

>  <CAS Number> (1,219)
459168-41-3

$$$$
G-418 sulphate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,220)
1376

>  <Formula> (1,220)
C20H44N4O18S2

>  <MolWeight> (1,220)
692.70936

>  <Item Name> (1,220)
Geneticin (G418 Sulfate)

>  <Catalog Number> (1,220)
S3028

>  <Synonyms> (1,220)
N/A

>  <Target> (1,220)
Antifection

>  <Form> (1,220)
Disulfate

>  <URL> (1,220)
http://www.selleckchem.com/products/geneticin-g418-sulfate.html

>  <CAS Number> (1,220)
108321-42-2

$$$$
4-AMINOHIPPURIC ACID.cdx
csChFnd80/07171813082D

 14 14  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    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
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    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
    8.4870    2.1000    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
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7000    0.0000 O   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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  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
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  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,221)
1377

>  <Formula> (1,221)
C9H10N2O3

>  <MolWeight> (1,221)
194.1873

>  <Item Name> (1,221)
4-Aminohippuric Acid

>  <Catalog Number> (1,221)
S2883

>  <Synonyms> (1,221)
N/A

>  <Target> (1,221)
Others

>  <Form> (1,221)
Free Base

>  <URL> (1,221)
http://www.selleckchem.com/products/4-aminohippuric-acid.html

>  <CAS Number> (1,221)
61-78-9

$$$$
ABILIFY (aripiprazole).cdx
csChFnd80/07171813082D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.3073    2.1000    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
   14.5198    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9446    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 28 23  1  0  0  0  0
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 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,222)
1378

>  <Formula> (1,222)
C23H27Cl2N3O2

>  <MolWeight> (1,222)
448.38538

>  <Item Name> (1,222)
Aripiprazole (Abilify)

>  <Catalog Number> (1,222)
S1975

>  <Synonyms> (1,222)
N/A

>  <Target> (1,222)
5-HT Receptor

>  <Form> (1,222)
Free Base

>  <URL> (1,222)
http://www.selleckchem.com/products/aripiprazole-abilify.html

>  <CAS Number> (1,222)
129722-12-9

$$$$
Duloxetine hydrochloride.cdx
csChFnd80/07171813082D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.5660    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5660    4.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7785    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7785    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2033    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4158    4.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4158    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2033    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2652    2.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4326    4.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0654    1.7378    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
  3 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
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,223)
1379

>  <Formula> (1,223)
C18H20ClNOS

>  <MolWeight> (1,223)
333.8755

>  <Item Name> (1,223)
Duloxetine HCl (Cymbalta)

>  <Catalog Number> (1,223)
S2084

>  <Synonyms> (1,223)
N/A

>  <Target> (1,223)
5-HT Receptor

>  <Form> (1,223)
HCl

>  <URL> (1,223)
http://www.selleckchem.com/products/duloxetine-hcl-cymbalta.html

>  <CAS Number> (1,223)
136434-34-9

$$$$
Almotriptan malate.cdx
csChFnd80/07171813082D

 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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M  END
>  <Mol_ID> (1,224)
1380

>  <Formula> (1,224)
C21H31N3O7S

>  <MolWeight> (1,224)
469.55174

>  <Item Name> (1,224)
Almotriptan malate (Axert)

>  <Catalog Number> (1,224)
S2096

>  <Synonyms> (1,224)
N/A

>  <Target> (1,224)
5-HT Receptor

>  <Form> (1,224)
Malate

>  <URL> (1,224)
http://www.selleckchem.com/products/almotriptan-malate-axert.html

>  <CAS Number> (1,224)
181183-52-8

$$$$
Azasetron hydrochloride.cdx
csChFnd80/07171813082D

 25 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> (1,225)
1381

>  <Formula> (1,225)
C17H21Cl2N3O3

>  <MolWeight> (1,225)
386.27294

>  <Item Name> (1,225)
Azasetron HCl

>  <Catalog Number> (1,225)
S2106

>  <Synonyms> (1,225)
N/A

>  <Target> (1,225)
5-HT Receptor

>  <Form> (1,225)
HCl

>  <URL> (1,225)
http://www.selleckchem.com/products/azasetron-hcl.html

>  <CAS Number> (1,225)
123040-16-4

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/07171813082D

 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
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,226)
1383

>  <Formula> (1,226)
C19H21ClFNO3

>  <MolWeight> (1,226)
365.8263432

>  <Item Name> (1,226)
Paroxetine HCl

>  <Catalog Number> (1,226)
S3005

>  <Synonyms> (1,226)
N/A

>  <Target> (1,226)
5-HT Receptor

>  <Form> (1,226)
Hydrochloride

>  <URL> (1,226)
http://www.selleckchem.com/products/paroxetine-hcl.html

>  <CAS Number> (1,226)
78246-49-8

$$$$
Ivabradine hydrocloride.cdx
csChFnd80/07171813082D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,227)
1385

>  <Formula> (1,227)
C27H37ClN2O5

>  <MolWeight> (1,227)
505.04608

>  <Item Name> (1,227)
Ivabradine HCl (Procoralan)

>  <Catalog Number> (1,227)
S2086

>  <Synonyms> (1,227)
N/A

>  <Target> (1,227)
Adrenergic Receptor

>  <Form> (1,227)
HCl

>  <URL> (1,227)
http://www.selleckchem.com/products/ivabradine-hcl-procoralan.html

>  <CAS Number> (1,227)
148849-67-6

$$$$
Betaxolol.cdx
csChFnd80/07171813082D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,228)
1386

>  <Formula> (1,228)
C18H29NO3

>  <MolWeight> (1,228)
307.42776

>  <Item Name> (1,228)
Betaxolol (Betoptic)

>  <Catalog Number> (1,228)
S2091

>  <Synonyms> (1,228)
N/A

>  <Target> (1,228)
Adrenergic Receptor

>  <Form> (1,228)
Free Base

>  <URL> (1,228)
http://www.selleckchem.com/products/betaxolol-betoptic.html

>  <CAS Number> (1,228)
659-18-7

$$$$
Detomidine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,229)
1387

>  <Formula> (1,229)
C12H15ClN2

>  <MolWeight> (1,229)
222.7139

>  <Item Name> (1,229)
Detomidine HCl

>  <Catalog Number> (1,229)
S2092

>  <Synonyms> (1,229)
N/A

>  <Target> (1,229)
Adrenergic Receptor

>  <Form> (1,229)
HCl

>  <URL> (1,229)
http://www.selleckchem.com/products/detomidine-hcl.html

>  <CAS Number> (1,229)
90038-01-0

$$$$
Cisatracurium besylate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,230)
1388

>  <Formula> (1,230)
C65H82N2O18S2

>  <MolWeight> (1,230)
1243.47918

>  <Item Name> (1,230)
Cisatracurium besylate (Nimbex)

>  <Catalog Number> (1,230)
S2113

>  <Synonyms> (1,230)
N/A

>  <Target> (1,230)
Adrenergic Receptor

>  <Form> (1,230)
Besylate

>  <URL> (1,230)
http://www.selleckchem.com/products/cisatracurium-besylate-nimbex.html

>  <CAS Number> (1,230)
96946-42-8

$$$$
Levosulpiride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,231)
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C15H23N3O4S

>  <MolWeight> (1,231)
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>  <Item Name> (1,231)
Levosulpiride (Levogastrol)

>  <Catalog Number> (1,231)
S2104

>  <Synonyms> (1,231)
N/A

>  <Target> (1,231)
Dopamine Receptor   

>  <Form> (1,231)
Free Base

>  <URL> (1,231)
http://www.selleckchem.com/products/levosulpiride-levogastrol.html

>  <CAS Number> (1,231)
23672-07-3

$$$$
Trimebutine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,232)
1390

>  <Formula> (1,232)
C22H29NO5

>  <MolWeight> (1,232)
387.46936

>  <Item Name> (1,232)
Trimebutine

>  <Catalog Number> (1,232)
S2085

>  <Synonyms> (1,232)
N/A

>  <Target> (1,232)
Opioid Receptor

>  <Form> (1,232)
Free Base

>  <URL> (1,232)
http://www.selleckchem.com/products/trimebutine.html

>  <CAS Number> (1,232)
39133-31-8

$$$$
Naltrexone hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,233)
1391

>  <Formula> (1,233)
C20H24ClNO4

>  <MolWeight> (1,233)
377.86186

>  <Item Name> (1,233)
Naltrexone HCl

>  <Catalog Number> (1,233)
S2103

>  <Synonyms> (1,233)
N/A

>  <Target> (1,233)
Opioid Receptor

>  <Form> (1,233)
HCl

>  <URL> (1,233)
http://www.selleckchem.com/products/naltrexone-hcl.html

>  <CAS Number> (1,233)
16676-29-2

$$$$
Mozavaptan.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,234)
1392

>  <Formula> (1,234)
C27H29N3O2

>  <MolWeight> (1,234)
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>  <Item Name> (1,234)
Mozavaptan

>  <Catalog Number> (1,234)
S2920

>  <Synonyms> (1,234)
N/A

>  <Target> (1,234)
Others

>  <Form> (1,234)
Free Base

>  <URL> (1,234)
http://www.selleckchem.com/products/mozavaptan.html

>  <CAS Number> (1,234)
137975-06-5

$$$$
PF477736.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,249)
1407

>  <Formula> (1,249)
C10H10N2O2S

>  <MolWeight> (1,249)
222.2636

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TDZD-8

>  <Catalog Number> (1,249)
S2926

>  <Synonyms> (1,249)
N/A

>  <Target> (1,249)
GSK-3

>  <Form> (1,249)
Free Base

>  <URL> (1,249)
http://www.selleckchem.com/products/tdzd-8.html

>  <CAS Number> (1,249)
327036-89-5 

$$$$
Melatonin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,250)
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>  <Formula> (1,250)
C13H16N2O2

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>  <Item Name> (1,250)
Melatonin

>  <Catalog Number> (1,250)
S1204

>  <Synonyms> (1,250)
Melatonex

>  <Target> (1,250)
MT Receptor

>  <Form> (1,250)
Free Base

>  <URL> (1,250)
http://www.selleckchem.com/products/Melatonin.html

>  <CAS Number> (1,250)
73-31-4

$$$$
Felbamate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,251)
1409

>  <Formula> (1,251)
C11H14N2O4

>  <MolWeight> (1,251)
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Felbamate

>  <Catalog Number> (1,251)
S1330

>  <Synonyms> (1,251)
Felbatol

>  <Target> (1,251)
NMDAR

>  <Form> (1,251)
Free Base

>  <URL> (1,251)
http://www.selleckchem.com/products/Felbamate.html

>  <CAS Number> (1,251)
25451-15-4

$$$$
Fluvoxamine maleate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,252)
1410

>  <Formula> (1,252)
C19H25F3N2O6

>  <MolWeight> (1,252)
434.4068096

>  <Item Name> (1,252)
Fluvoxamine maleate

>  <Catalog Number> (1,252)
S1336

>  <Synonyms> (1,252)
Luvox

>  <Target> (1,252)
5-HT Receptor

>  <Form> (1,252)
Maleate

>  <URL> (1,252)
http://www.selleckchem.com/products/Fluvoxamine-maleate.html

>  <CAS Number> (1,252)
61718-82-9

$$$$
Oxcarbazepine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,253)
1411

>  <Formula> (1,253)
C15H12N2O2

>  <MolWeight> (1,253)
252.26798

>  <Item Name> (1,253)
Oxcarbazepine

>  <Catalog Number> (1,253)
S1391

>  <Synonyms> (1,253)
Trileptal

>  <Target> (1,253)
Sodium Channel

>  <Form> (1,253)
Free Base

>  <URL> (1,253)
http://www.selleckchem.com/products/Oxcarbazepine.html

>  <CAS Number> (1,253)
28721-07-5

$$$$
Prazosin hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,254)
1414

>  <Formula> (1,254)
C19H22ClN5O4

>  <MolWeight> (1,254)
419.86208

>  <Item Name> (1,254)
Prazosin HCl

>  <Catalog Number> (1,254)
S1424

>  <Synonyms> (1,254)
Minipress,Vasoflex,Pressin and Hypovase

>  <Target> (1,254)
Others

>  <Form> (1,254)
Hydrochloride

>  <URL> (1,254)
http://www.selleckchem.com/products/Prazosin-hydrochloride.html

>  <CAS Number> (1,254)
19237-84-4

$$$$
H-89.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,255)
1417

>  <Formula> (1,255)
C20H22BrCl2N3O2S

>  <MolWeight> (1,255)
519.28258

>  <Item Name> (1,255)
H 89 2HCl

>  <Catalog Number> (1,255)
S1582

>  <Synonyms> (1,255)
N/A

>  <Target> (1,255)
S6 Kinase

>  <Form> (1,255)
Dihydrochloride

>  <URL> (1,255)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

>  <CAS Number> (1,255)
130964-39-5

$$$$
NAQUIVAL (trichlormethiazide).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,256)
1418

>  <Formula> (1,256)
C8H8Cl3N3O4S2

>  <MolWeight> (1,256)
380.65582

>  <Item Name> (1,256)
Trichlormethiazide (Achletin)

>  <Catalog Number> (1,256)
S1667

>  <Synonyms> (1,256)
Achletin, Diu-Hydrin, Triflumen

>  <Target> (1,256)
Others

>  <Form> (1,256)
Free Base

>  <URL> (1,256)
http://www.selleckchem.com/products/Trichlormethiazide(Achletin).html

>  <CAS Number> (1,256)
133-67-5

$$$$
PROFENAL (suprofen).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,257)
1419

>  <Formula> (1,257)
C14H12O3S

>  <MolWeight> (1,257)
260.30828

>  <Item Name> (1,257)
Suprofen (Profenal)

>  <Catalog Number> (1,257)
S1761

>  <Synonyms> (1,257)
Profenal, Topalgic, Suprol

>  <Target> (1,257)
COX

>  <Form> (1,257)
Free Base

>  <URL> (1,257)
http://www.selleckchem.com/products/Suprofen(Profenal).html

>  <CAS Number> (1,257)
40828-46-4

$$$$
Pranlukast.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,258)
1421

>  <Formula> (1,258)
C27H23N5O4

>  <MolWeight> (1,258)
481.50262

>  <Item Name> (1,258)
Pranlukast

>  <Catalog Number> (1,258)
S1829

>  <Synonyms> (1,258)
N/A

>  <Target> (1,258)
Others

>  <Form> (1,258)
Free Base

>  <URL> (1,258)
http://www.selleckchem.com/products/pranlukast.html

>  <CAS Number> (1,258)
103177-37-3

$$$$
Oxfendazole.cdx
csChFnd80/07171813082D

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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,259)
1422

>  <Formula> (1,259)
C15H13N3O3S

>  <MolWeight> (1,259)
315.34702

>  <Item Name> (1,259)
Oxfendazole

>  <Catalog Number> (1,259)
S1830

>  <Synonyms> (1,259)
N/A

>  <Target> (1,259)
Antifection

>  <Form> (1,259)
Free Base

>  <URL> (1,259)
http://www.selleckchem.com/products/oxfendazole.html

>  <CAS Number> (1,259)
53716-50-0

$$$$
Tizanidine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,260)
1423

>  <Formula> (1,260)
C9H9Cl2N5S

>  <MolWeight> (1,260)
290.17226

>  <Item Name> (1,260)
Tizanidine HCl

>  <Catalog Number> (1,260)
S1437

>  <Synonyms> (1,260)
Zanaflex, Sirdalud

>  <Target> (1,260)
Adrenergic Receptor

>  <Form> (1,260)
Hydrochloride

>  <URL> (1,260)
http://www.selleckchem.com/products/Tizanidine-hydrochloride.html

>  <CAS Number> (1,260)
64461-82-1

$$$$
Calcifediol.cdx
csChFnd80/07171813082D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,261)
1425

>  <Formula> (1,261)
C27H44O2

>  <MolWeight> (1,261)
400.63706

>  <Item Name> (1,261)
Calcifediol

>  <Catalog Number> (1,261)
S1469

>  <Synonyms> (1,261)
Calcidiol, Didrogyl, Hidroferol

>  <Target> (1,261)
Vitamin

>  <Form> (1,261)
Free Base

>  <URL> (1,261)
http://www.selleckchem.com/products/Calcifediol.html

>  <CAS Number> (1,261)
19356-17-3

$$$$
Erythromycin ethylsuccinate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,262)
1426

>  <Formula> (1,262)
C43H75NO16

>  <MolWeight> (1,262)
862.0527

>  <Item Name> (1,262)
Erythromycin Ethylsuccinate

>  <Catalog Number> (1,262)
S4060

>  <Synonyms> (1,262)
N/A

>  <Target> (1,262)
Antifection

>  <Form> (1,262)
Free Base

>  <URL> (1,262)
http://www.selleckchem.com/products/erythromycin-ethylsuccinate.html

>  <CAS Number> (1,262)
1264-62-6

$$$$
Linezolid.cdx
csChFnd80/07171813082D

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>  <Formula> (1,263)
C23H23N7O5

>  <MolWeight> (1,263)
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>  <Item Name> (1,263)
Pralatrexate(Folotyn)

>  <Catalog Number> (1,263)
S1497

>  <Synonyms> (1,263)
Folotyn

>  <Target> (1,263)
DHFR

>  <Form> (1,263)
Free Base

>  <URL> (1,263)
http://www.selleckchem.com/products/Pralatrexate(Folotyn).html

>  <CAS Number> (1,263)
146464-95-1

$$$$
CAVERJECT (alprostadil).cdx
csChFnd80/07171813082D

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1428

>  <Formula> (1,264)
C20H34O5

>  <MolWeight> (1,264)
354.48096

>  <Item Name> (1,264)
Alprostadil(Caverject)

>  <Catalog Number> (1,264)
S1508

>  <Synonyms> (1,264)
Prostaglandin E1, Edex, Muse, Liprostin

>  <Target> (1,264)
Immunology & Inflammation related

>  <Form> (1,264)
Free Base

>  <URL> (1,264)
http://www.selleckchem.com/products/Alprostadil(Caverject).html

>  <CAS Number> (1,264)
745-65-3

$$$$
DEPEN (penicillamine).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,265)
1430

>  <Formula> (1,265)
C5H11NO2S

>  <MolWeight> (1,265)
149.21134

>  <Item Name> (1,265)
Penicillamine (Cuprimine)

>  <Catalog Number> (1,265)
S1853

>  <Synonyms> (1,265)
Depen, Distamine, D-Mercaptovaline, D-Penamine, Kuprenil

>  <Target> (1,265)
Others

>  <Form> (1,265)
Free Base

>  <URL> (1,265)
http://www.selleckchem.com/products/Penicillamine(Cuprimine).html

>  <CAS Number> (1,265)
52-67-5

$$$$
Roxatidine acetate hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,266)
1431

>  <Formula> (1,266)
C19H29ClN2O4

>  <MolWeight> (1,266)
384.89756

>  <Item Name> (1,266)
Roxatidine acetate HCl

>  <Catalog Number> (1,266)
S1880

>  <Synonyms> (1,266)
N/A

>  <Target> (1,266)
Histamine Receptor

>  <Form> (1,266)
Hydrochloride

>  <URL> (1,266)
http://www.selleckchem.com/products/roxatidine-acetate-hcl.html

>  <CAS Number> (1,266)
93793-83-0

$$$$
Protionamide.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,267)
1432

>  <Formula> (1,267)
C9H12N2S

>  <MolWeight> (1,267)
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>  <Item Name> (1,267)
Protionamide (Prothionamide)

>  <Catalog Number> (1,267)
S1881

>  <Synonyms> (1,267)
N/A

>  <Target> (1,267)
Antifection

>  <Form> (1,267)
Free Base

>  <URL> (1,267)
http://www.selleckchem.com/products/protionamide-prothionamide.html

>  <CAS Number> (1,267)
14222-60-7

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,268)
1434

>  <Formula> (1,268)
C9H10N4O2S2

>  <MolWeight> (1,268)
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>  <Item Name> (1,268)
Sulfamethizole (Proklar)

>  <Catalog Number> (1,268)
S1957

>  <Synonyms> (1,268)
Proklar

>  <Target> (1,268)
Antifection

>  <Form> (1,268)
Free Base

>  <URL> (1,268)
http://www.selleckchem.com/products/Sulfamethizole(Proklar).html

>  <CAS Number> (1,268)
144-82-1

$$$$
MYDRIACYL (tropicamide).cdx
csChFnd80/07171813082D

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$$$$
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csChFnd80/07171813082D

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csChFnd80/07171813082D

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52549-17-4

$$$$
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csChFnd80/07171813082D

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$$$$
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csChFnd80/07171813082D

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6284-40-8

$$$$
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csChFnd80/07171813082D

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91296-87-6

$$$$
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csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,275)
1441

>  <Formula> (1,275)
C17H9Cl3N4O2

>  <MolWeight> (1,275)
407.63796

>  <Item Name> (1,275)
Diclazuril

>  <Catalog Number> (1,275)
S2028

>  <Synonyms> (1,275)
N/A

>  <Target> (1,275)
Antifection

>  <Form> (1,275)
Free Base

>  <URL> (1,275)
http://www.selleckchem.com/products/diclazuril.html

>  <CAS Number> (1,275)
101831-37-2

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/07171813082D

 32 33  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,276)
1442

>  <Formula> (1,276)
C26H28Cl2F2N2

>  <MolWeight> (1,276)
477.4167264

>  <Item Name> (1,276)
Flunarizine 2HCl

>  <Catalog Number> (1,276)
S2030

>  <Synonyms> (1,276)
N/A

>  <Target> (1,276)
Calcium Channel

>  <Form> (1,276)
2HCl

>  <URL> (1,276)
http://www.selleckchem.com/products/flunarizine-dihydrochloride.html

>  <CAS Number> (1,276)
30484-77-6

$$$$
Fenticonazole nitrate.cdx
csChFnd80/07171813082D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,277)
1443

>  <Formula> (1,277)
C24H21Cl2N3O4S

>  <MolWeight> (1,277)
518.41224

>  <Item Name> (1,277)
Fenticonazole nitrate

>  <Catalog Number> (1,277)
S2031

>  <Synonyms> (1,277)
N/A

>  <Target> (1,277)
Antifection

>  <Form> (1,277)
Nitrate

>  <URL> (1,277)
http://www.selleckchem.com/products/fenticonazole-nitrate.html

>  <CAS Number> (1,277)
73151-29-8

$$$$
Rebamipide.cdx
csChFnd80/07171813082D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,278)
1444

>  <Formula> (1,278)
C19H15ClN2O4

>  <MolWeight> (1,278)
370.7864

>  <Item Name> (1,278)
Rebamipide

>  <Catalog Number> (1,278)
S2032

>  <Synonyms> (1,278)
N/A

>  <Target> (1,278)
Others

>  <Form> (1,278)
Free Base

>  <URL> (1,278)
http://www.selleckchem.com/products/rebamipide.html

>  <CAS Number> (1,278)
90098-04-7

$$$$
Bromhexine hydrochloride.cdx
csChFnd80/07171813082D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
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C14H21Br2ClN2

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Bromhexine HCl

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S2060

>  <Synonyms> (1,279)
N/A

>  <Target> (1,279)
Others

>  <Form> (1,279)
HCl

>  <URL> (1,279)
http://www.selleckchem.com/products/bromhexine-hydrochloride.html

>  <CAS Number> (1,279)
611-75-6

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/07171813082D

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1446

>  <Formula> (1,280)
C24H36O5

>  <MolWeight> (1,280)
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>  <Item Name> (1,280)
Lovastatin (Mevacor)

>  <Catalog Number> (1,280)
S2061

>  <Synonyms> (1,280)
N/A

>  <Target> (1,280)
HMG-CoA Reductase

>  <Form> (1,280)
Free Base

>  <URL> (1,280)
http://www.selleckchem.com/products/lovastatin-mevacor.html

>  <CAS Number> (1,280)
75330-75-5

$$$$
Tiopronin.cdx
csChFnd80/07171813082D

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1447

>  <Formula> (1,281)
C5H9NO3S

>  <MolWeight> (1,281)
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Tiopronin (Thiola)

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S2062

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N/A

>  <Target> (1,281)
ROS

>  <Form> (1,281)
Free Base

>  <URL> (1,281)
http://www.selleckchem.com/products/tiopronin-thiola.html

>  <CAS Number> (1,281)
1953-02-2

$$$$
Balofloxacin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,282)
1449

>  <Formula> (1,282)
C20H24FN3O4

>  <MolWeight> (1,282)
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>  <Item Name> (1,282)
Balofloxacin

>  <Catalog Number> (1,282)
S2064

>  <Synonyms> (1,282)
N/A

>  <Target> (1,282)
Topoisomerase

>  <Form> (1,282)
Free Base

>  <URL> (1,282)
http://www.selleckchem.com/products/balofloxacin.html

>  <CAS Number> (1,282)
127294-70-6

$$$$
Lafutidine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,283)
1450

>  <Formula> (1,283)
C22H29N3O4S

>  <MolWeight> (1,283)
431.54836

>  <Item Name> (1,283)
Lafutidine

>  <Catalog Number> (1,283)
S2065

>  <Synonyms> (1,283)
N/A

>  <Target> (1,283)
Histamine Receptor

>  <Form> (1,283)
Free Base

>  <URL> (1,283)
http://www.selleckchem.com/products/lafutidine.html

>  <CAS Number> (1,283)
118288-08-7

$$$$
Moxonidine.cdx
csChFnd80/07171813082D

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Moxonidine

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>  <Synonyms> (1,284)
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>  <Target> (1,284)
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>  <Form> (1,284)
Free Base

>  <URL> (1,284)
http://www.selleckchem.com/products/moxonidine.html

>  <CAS Number> (1,284)
75438-57-2

$$$$
Argatroban.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,285)
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>  <Formula> (1,285)
C23H36N6O5S

>  <MolWeight> (1,285)
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>  <Item Name> (1,285)
Argatroban

>  <Catalog Number> (1,285)
S2069

>  <Synonyms> (1,285)
N/A

>  <Target> (1,285)
Thrombin

>  <Form> (1,285)
Free Base

>  <URL> (1,285)
http://www.selleckchem.com/products/argatroban.html

>  <CAS Number> (1,285)
74863-84-6

$$$$
Mecarbinate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,286)
1453

>  <Formula> (1,286)
C13H15NO3

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>  <Item Name> (1,286)
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S2074

>  <Synonyms> (1,286)
N/A

>  <Target> (1,286)
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>  <Form> (1,286)
Free Base

>  <URL> (1,286)
http://www.selleckchem.com/products/mecarbinate.html

>  <CAS Number> (1,286)
15574-49-9

$$$$
Rosiglitazone hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,287)
1454

>  <Formula> (1,287)
C18H20ClN3O3S

>  <MolWeight> (1,287)
393.8877

>  <Item Name> (1,287)
Rosiglitazone HCl

>  <Catalog Number> (1,287)
S2075

>  <Synonyms> (1,287)
N/A

>  <Target> (1,287)
PPAR

>  <Form> (1,287)
HCl

>  <URL> (1,287)
http://www.selleckchem.com/products/rosiglitazone-hydrochloride.html

>  <CAS Number> (1,287)
302543-62-0

$$$$
LIQUID PRED (Lisinopril).cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,288)
1455

>  <Formula> (1,288)
C21H31N3O5

>  <MolWeight> (1,288)
405.48794

>  <Item Name> (1,288)
Lisinopril (Zestril)

>  <Catalog Number> (1,288)
S2076

>  <Synonyms> (1,288)
Prinivil

>  <Target> (1,288)
RAAS

>  <Form> (1,288)
Free Base

>  <URL> (1,288)
http://www.selleckchem.com/products/lisinopril-zestril.html

>  <CAS Number> (1,288)
83915-83-7

$$$$
Atorvastatin calcium.cdx
csChFnd80/07171813082D

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>  <Formula> (1,289)
C66H68CaF2N4O10

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>  <Item Name> (1,289)
Atorvastatin calcium (Lipitor)

>  <Catalog Number> (1,289)
S2077

>  <Synonyms> (1,289)
N/A

>  <Target> (1,289)
HMG-CoA Reductase

>  <Form> (1,289)
Calcium 

>  <URL> (1,289)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

>  <CAS Number> (1,289)
134523-03-8

$$$$
Famotidine.cdx
csChFnd80/07171813082D

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1457

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C8H15N7O2S3

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Famotidine (Pepcid)

>  <Catalog Number> (1,290)
S2078

>  <Synonyms> (1,290)
N/A

>  <Target> (1,290)
Histamine Receptor

>  <Form> (1,290)
Free Base

>  <URL> (1,290)
http://www.selleckchem.com/products/famotidine-pepcid.html

>  <CAS Number> (1,290)
76824-35-6

$$$$
Moexipril hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,291)
1458

>  <Formula> (1,291)
C27H35ClN2O7

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>  <Item Name> (1,291)
Moexipril HCl

>  <Catalog Number> (1,291)
S2079

>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
RAAS

>  <Form> (1,291)
Hydrochloride

>  <URL> (1,291)
http://www.selleckchem.com/products/moexipril-hydrochloride.html

>  <CAS Number> (1,291)
82586-52-5

$$$$
Cleviprex.cdx
csChFnd80/07171813082D

 30 31  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
    1.2124    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3073    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3073    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8646    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792    6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792    7.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8646    8.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500    7.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500    6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4428    5.5943    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
  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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4 10  2  0  0  0  0
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 15  9  1  0  0  0  0
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 17 18  1  0  0  0  0
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 11 20  1  0  0  0  0
  9  8  1  0  0  0  0
  8 21  2  0  0  0  0
 19 22  2  0  0  0  0
 15 23  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,292)
1459

>  <Formula> (1,292)
C21H23Cl2NO6

>  <MolWeight> (1,292)
456.31642

>  <Item Name> (1,292)
Clevidipine Butyrate

>  <Catalog Number> (1,292)
S2080

>  <Synonyms> (1,292)
N/A

>  <Target> (1,292)
Calcium Channel

>  <Form> (1,292)
Free Base

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

>  <CAS Number> (1,292)
167221-71-8

$$$$
Cilazapril monohydrate.cdx
csChFnd80/07171813082D

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    5.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    6.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    7.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    5.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.8024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2831    5.5024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9661    2.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3700    2.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2864    3.4454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0252    4.8024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7832    5.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5922    2.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6368    3.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0698    5.7071    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8052    7.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7935    6.8589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8635    7.9984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4823    7.5401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4209    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  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 10  1  6  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 14  1  0  0  0  0
 18 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
 24 25  1  6  0  0  0
 20 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 13 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,293)
1460

>  <Formula> (1,293)
C22H33N3O6

>  <MolWeight> (1,293)
435.51392

>  <Item Name> (1,293)
Cilazapril monohydrate (Inhibace)

>  <Catalog Number> (1,293)
S2081

>  <Synonyms> (1,293)
N/A

>  <Target> (1,293)
RAAS

>  <Form> (1,293)
Monohydrate

>  <URL> (1,293)
http://www.selleckchem.com/products/cilazapril-monohydrate-inhibace.html

>  <CAS Number> (1,293)
92077-78-6

$$$$
Adiphenine hydrochloride.cdx
csChFnd80/07171813082D

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.0411    4.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    4.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    8.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    9.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    8.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.9122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.8194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.2146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1301    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  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  4  1  0  0  0  0
  3 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  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  2  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
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,294)
1461

>  <Formula> (1,294)
C20H26ClNO2

>  <MolWeight> (1,294)
347.87894

>  <Item Name> (1,294)
Adiphenine HCl

>  <Catalog Number> (1,294)
S2082

>  <Synonyms> (1,294)
N/A

>  <Target> (1,294)
AChR

>  <Form> (1,294)
HCl

>  <URL> (1,294)
http://www.selleckchem.com/products/adiphenine-hcl.html

>  <CAS Number> (1,294)
50-42-0

$$$$
Fosinopril sodium.cdx
csChFnd80/07171813082D

 40 41  0  0  0  0  0  0  0  0999 V2000
    6.9951   14.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3951   14.6894    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    9.7951   14.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3951   16.0846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3951   13.2943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6034   16.7822    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8116   16.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6034   18.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8116   14.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0198   16.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8116   18.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0198   18.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2280   18.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8116   20.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4951   13.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8951   13.4770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7976   12.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2976   15.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000   17.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   18.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   17.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   15.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7180   12.3444    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0495   12.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0495   14.1770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7180   14.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2869   11.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2205    9.9807    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.8306    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   10.9223   10.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1782   14.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4572   14.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5898   15.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4435   16.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1645   17.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0319   16.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  6  4  1  6  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  1 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  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
 16 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 16  1  0  0  0  0
 27 31  1  1  0  0  0
 31 32  1  0  0  0  0
 31 34  2  0  0  0  0
 29 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (1,295)
1465

>  <Formula> (1,295)
C30H45NNaO7P

>  <MolWeight> (1,295)
585.644331

>  <Item Name> (1,295)
Fosinopril sodium (Monopril)

>  <Catalog Number> (1,295)
S2095

>  <Synonyms> (1,295)
N/A

>  <Target> (1,295)
RAAS

>  <Form> (1,295)
Sodium Salt

>  <URL> (1,295)
http://www.selleckchem.com/products/fosinopril-sodium-monopril.html

>  <CAS Number> (1,295)
88889-14-9

$$$$
Ambrisentan.cdx
csChFnd80/07171813082D

 28 30  0  0  0  0  0  0  0  0999 V2000
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C22H22N2O4

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Ambrisentan

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S2097

>  <Synonyms> (1,296)
N/A

>  <Target> (1,296)
Endothelin Receptor

>  <Form> (1,296)
Free Base

>  <URL> (1,296)
http://www.selleckchem.com/products/ambrisentan.html

>  <CAS Number> (1,296)
177036-94-1

$$$$
Bexarotene.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,297)
1467

>  <Formula> (1,297)
C24H28O2

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>  <Item Name> (1,297)
Bexarotene

>  <Catalog Number> (1,297)
S2098

>  <Synonyms> (1,297)
N/A

>  <Target> (1,297)
Retinoid Receptor

>  <Form> (1,297)
Free Base

>  <URL> (1,297)
http://www.selleckchem.com/products/bexarotene.html

>  <CAS Number> (1,297)
153559-49-0

$$$$
Temocapril hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,298)
1468

>  <Formula> (1,298)
C23H29ClN2O5S2

>  <MolWeight> (1,298)
513.06976

>  <Item Name> (1,298)
Temocapril HCl

>  <Catalog Number> (1,298)
S2099

>  <Synonyms> (1,298)
N/A

>  <Target> (1,298)
RAAS

>  <Form> (1,298)
Hydrochloride

>  <URL> (1,298)
http://www.selleckchem.com/products/temocapril-hcl.html

>  <CAS Number> (1,298)
110221-44-8

$$$$
Gabexate mesylate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,299)
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>  <Formula> (1,299)
C17H27N3O7S

>  <MolWeight> (1,299)
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>  <Item Name> (1,299)
Gabexate mesylate

>  <Catalog Number> (1,299)
S2101

>  <Synonyms> (1,299)
N/A

>  <Target> (1,299)
Proteasome

>  <Form> (1,299)
Mesylate

>  <URL> (1,299)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (1,299)
56974-61-9

$$$$
Rasagiline mesylate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,300)
1471

>  <Formula> (1,300)
C13H17NO3S

>  <MolWeight> (1,300)
267.34398

>  <Item Name> (1,300)
Rasagiline mesylate

>  <Catalog Number> (1,300)
S2102

>  <Synonyms> (1,300)
N/A

>  <Target> (1,300)
MAO

>  <Form> (1,300)
Mesylate

>  <URL> (1,300)
http://www.selleckchem.com/products/rasagiline-mesylate.html

>  <CAS Number> (1,300)
161735-79-1

$$$$
Flunixin meglumine.cdx
csChFnd80/07171813082D

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 22 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,301)
1473

>  <Formula> (1,301)
C21H28F3N3O7

>  <MolWeight> (1,301)
491.4581296

>  <Item Name> (1,301)
Flunixin meglumin

>  <Catalog Number> (1,301)
S2108

>  <Synonyms> (1,301)
N/A

>  <Target> (1,301)
COX

>  <Form> (1,301)
Meglumin

>  <URL> (1,301)
http://www.selleckchem.com/products/flunixin-meglumin.html

>  <CAS Number> (1,301)
42461-84-7

$$$$
Vinpocetine.cdx
csChFnd80/07171813082D

 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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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,302)
1474

>  <Formula> (1,302)
C22H26N2O2

>  <MolWeight> (1,302)
350.45404

>  <Item Name> (1,302)
Vinpocetine (Cavinton)

>  <Catalog Number> (1,302)
S2110

>  <Synonyms> (1,302)
N/A

>  <Target> (1,302)
Sodium Channel

>  <Form> (1,302)
Free Base

>  <URL> (1,302)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

>  <CAS Number> (1,302)
42971-09-5

$$$$
Dronedarone hydrochloride.cdx
csChFnd80/07171813082D

 40 41  0  0  0  0  0  0  0  0999 V2000
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 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,303)
1475

>  <Formula> (1,303)
C31H45ClN2O5S

>  <MolWeight> (1,303)
593.2174

>  <Item Name> (1,303)
Dronedarone HCl (Multaq)

>  <Catalog Number> (1,303)
S2114

>  <Synonyms> (1,303)
N/A

>  <Target> (1,303)
Potassium Channel,Sodium

>  <Form> (1,303)
HCl

>  <URL> (1,303)
http://www.selleckchem.com/products/dronedarone-hcl-multaq.html

>  <CAS Number> (1,303)
141625-93-6

$$$$
Conivaptan hydrochloride.cdx
csChFnd80/07171813082D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,304)
1476

>  <Formula> (1,304)
C32H27ClN4O2

>  <MolWeight> (1,304)
535.03538

>  <Item Name> (1,304)
Conivaptan HCl (Vaprisol)

>  <Catalog Number> (1,304)
S2116

>  <Synonyms> (1,304)
N/A

>  <Target> (1,304)
Vasopressin Receptor

>  <Form> (1,304)
HCl

>  <URL> (1,304)
http://www.selleckchem.com/products/conivaptan-hcl-vaprisol.html

>  <CAS Number> (1,304)
168626-94-6

$$$$

csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,305)
1477

>  <Formula> (1,305)
C44H76N4O10S2

>  <MolWeight> (1,305)
885.22504

>  <Item Name> (1,305)
Ibutilide fumarate

>  <Catalog Number> (1,305)
S2118

>  <Synonyms> (1,305)
N/A

>  <Target> (1,305)
Sodium Channel

>  <Form> (1,305)
Fumarate

>  <URL> (1,305)
http://www.selleckchem.com/products/ibutilide-fumarate.html

>  <CAS Number> (1,305)
122647-32-9

$$$$
LORELCO (probucol).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,306)
1478

>  <Formula> (1,306)
C31H48O2S2

>  <MolWeight> (1,306)
516.84162

>  <Item Name> (1,306)
Probucol

>  <Catalog Number> (1,306)
S2119

>  <Synonyms> (1,306)
N/A

>  <Target> (1,306)
Others

>  <Form> (1,306)
Free Base

>  <URL> (1,306)
http://www.selleckchem.com/products/probucol.html

>  <CAS Number> (1,306)
23288-49-5

$$$$
Arbidol hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,307)
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C22H26BrClN2O3S

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Arbidol HCl

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S2120

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N/A

>  <Target> (1,307)
Antifection

>  <Form> (1,307)
Hydrochloride

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http://www.selleckchem.com/products/Arbidol-hcl.html

>  <CAS Number> (1,307)
131707-23-8

$$$$
Dichlorphenamide.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,308)
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>  <Formula> (1,308)
C6H6Cl2N2O4S2

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305.15884

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Dichlorphenamide (Diclofenamide)

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S2177

>  <Synonyms> (1,308)
Diclofenamide

>  <Target> (1,308)
Others

>  <Form> (1,308)
Free Base

>  <URL> (1,308)
http://www.selleckchem.com/products/Dichlorphenamide(Diclofenamide).html

>  <CAS Number> (1,308)
120-97-8

$$$$
Levosimendan.cdx
csChFnd80/07171813082D

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1483

>  <Formula> (1,309)
C14H12N6O

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Levosimendan

>  <Catalog Number> (1,309)
S2446

>  <Synonyms> (1,309)
N/A

>  <Target> (1,309)
Calcium Channel

>  <Form> (1,309)
Free Base

>  <URL> (1,309)
http://www.selleckchem.com/products/levosimendan.html

>  <CAS Number> (1,309)
141505-33-1

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,310)
1484

>  <Formula> (1,310)
C24H30F2O6

>  <MolWeight> (1,310)
452.4882064

>  <Item Name> (1,310)
Fluocinolone acetonide (Flucort-N)

>  <Catalog Number> (1,310)
S2470

>  <Synonyms> (1,310)
Flucort-N

>  <Target> (1,310)
Glucocorticoid Receptor

>  <Form> (1,310)
Free Base

>  <URL> (1,310)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

>  <CAS Number> (1,310)
67-73-2

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,311)
1485

>  <Formula> (1,311)
C18H23Cl2NO

>  <MolWeight> (1,311)
340.28732

>  <Item Name> (1,311)
Phenoxybenzamine HCl

>  <Catalog Number> (1,311)
S2499

>  <Synonyms> (1,311)
N/A

>  <Target> (1,311)
Androgen Receptor

>  <Form> (1,311)
HCl

>  <URL> (1,311)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

>  <CAS Number> (1,311)
63-92-3

$$$$
Propafenone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,312)
1486

>  <Formula> (1,312)
C21H27NO3

>  <MolWeight> (1,312)
341.44398

>  <Item Name> (1,312)
Propafenone HCl

>  <Catalog Number> (1,312)
S2500

>  <Synonyms> (1,312)
Rythmol SR, Rytmonorm

>  <Target> (1,312)
Sodium Channel

>  <Form> (1,312)
Hydrochloride

>  <URL> (1,312)
http://www.selleckchem.com/products/Propafenone(Rytmonorm).html

>  <CAS Number> (1,312)
34183-22-7

$$$$
Roxithromycin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,313)
1487

>  <Formula> (1,313)
C41H76N2O15

>  <MolWeight> (1,313)
837.04654

>  <Item Name> (1,313)
Roxithromycin (Roxl-150)

>  <Catalog Number> (1,313)
S2506

>  <Synonyms> (1,313)
Roxl-150, Roxo, Surlid, Rulide, Biaxsig, Roxar, Roximycin, Roxomycin, Tirabicin, Coroxin

>  <Target> (1,313)
Antifection

>  <Form> (1,313)
Free Base

>  <URL> (1,313)
http://www.selleckchem.com/products/Roxithromycin(Roxl-150).html

>  <CAS Number> (1,313)
80214-83-1

$$$$
Tenoxicam.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,314)
1488

>  <Formula> (1,314)
C13H11N3O4S2

>  <MolWeight> (1,314)
337.37414

>  <Item Name> (1,314)
Tenoxicam(Mobiflex)

>  <Catalog Number> (1,314)
S2512

>  <Synonyms> (1,314)
Mobiflex

>  <Target> (1,314)
COX

>  <Form> (1,314)
Free Base

>  <URL> (1,314)
http://www.selleckchem.com/products/Tenoxicam(Mobiflex).html

>  <CAS Number> (1,314)
59804-37-4

$$$$
Tobramycin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,315)
1489

>  <Formula> (1,315)
C18H37N5O9

>  <MolWeight> (1,315)
467.51448

>  <Item Name> (1,315)
Tobramycin

>  <Catalog Number> (1,315)
S2514

>  <Synonyms> (1,315)
N/A

>  <Target> (1,315)
Antifection

>  <Form> (1,315)
Free Base

>  <URL> (1,315)
http://www.selleckchem.com/products/Tobramycin(free-base).html

>  <CAS Number> (1,315)
32986-56-4

$$$$
Vancomycin hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,316)
1491

>  <Formula> (1,316)
C66H76Cl3N9O24

>  <MolWeight> (1,316)
1485.71454

>  <Item Name> (1,316)
Vancomycin HCl (Vancocin)

>  <Catalog Number> (1,316)
S2575

>  <Synonyms> (1,316)
N/A

>  <Target> (1,316)
Antifection

>  <Form> (1,316)
HCl

>  <URL> (1,316)
http://www.selleckchem.com/products/vancomycin-hydrochloride-vancocin.html

>  <CAS Number> (1,316)
1404-93-9 

$$$$
Xylometazoline hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,317)
1492

>  <Formula> (1,317)
C16H25ClN2

>  <MolWeight> (1,317)
280.8361

>  <Item Name> (1,317)
Xylometazoline HCl

>  <Catalog Number> (1,317)
S2576

>  <Synonyms> (1,317)
N/A

>  <Target> (1,317)
Adrenergic Receptor

>  <Form> (1,317)
HCl

>  <URL> (1,317)
http://www.selleckchem.com/products/xylometazoline-hcl.html

>  <CAS Number> (1,317)
1218-35-5

$$$$
Inulin.cdx
csChFnd80/07171813082D

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A   24
?n?
M  END
>  <Mol_ID> (1,318)
1493

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C12H22O11R

>  <MolWeight> (1,318)
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Inulin

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S2609

>  <Synonyms> (1,318)
N/A

>  <Target> (1,318)
Others

>  <Form> (1,318)
Free Base

>  <URL> (1,318)
http://www.selleckchem.com/products/inulin.html

>  <CAS Number> (1,318)
9005-80-5

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,319)
1494

>  <Formula> (1,319)
C19H19N3O6

>  <MolWeight> (1,319)
385.37066

>  <Item Name> (1,319)
Nilvadipine (ARC029)

>  <Catalog Number> (1,319)
S2721

>  <Synonyms> (1,319)
N/A

>  <Target> (1,319)
Calcium Channel

>  <Form> (1,319)
Free Base

>  <URL> (1,319)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (1,319)
75530-68-6

$$$$
Carbazochrome sodium sulfonate.cdx
csChFnd80/07171813082D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,320)
1495

>  <Formula> (1,320)
C10H11N4NaO5S

>  <MolWeight> (1,320)
322.27291

>  <Item Name> (1,320)
Carbazochrome sodium sulfonate

>  <Catalog Number> (1,320)
S3000

>  <Synonyms> (1,320)
N/A

>  <Target> (1,320)
Others

>  <Form> (1,320)
Sodium

>  <URL> (1,320)
http://www.selleckchem.com/products/carbazochrome-sodium-sulfonate.html

>  <CAS Number> (1,320)
51460-26-5

$$$$
Clevudine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,321)
1496

>  <Formula> (1,321)
C10H13FN2O5

>  <MolWeight> (1,321)
260.2190232

>  <Item Name> (1,321)
Clevudine (Levovir)

>  <Catalog Number> (1,321)
S3001

>  <Synonyms> (1,321)
N/A

>  <Target> (1,321)
Others

>  <Form> (1,321)
Free Base

>  <URL> (1,321)
http://www.selleckchem.com/products/clevudine-levovir.html

>  <CAS Number> (1,321)
163252-36-6

$$$$
RELENZA (zanamivir).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,322)
1497

>  <Formula> (1,322)
C12H20N4O7

>  <MolWeight> (1,322)
332.3098

>  <Item Name> (1,322)
Zanamivir (Relenza)

>  <Catalog Number> (1,322)
S3007

>  <Synonyms> (1,322)
139110-80-8

>  <Target> (1,322)
Antifection

>  <Form> (1,322)
Free Base

>  <URL> (1,322)
http://www.selleckchem.com/products/zanamivir-relenza.html

>  <CAS Number> (1,322)
139110-80-8

$$$$
Zaltoprofen.cdx
csChFnd80/07171813082D

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Zaltoprofen

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N/A

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COX

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Free Base

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

>  <CAS Number> (1,323)
74711-43-6

$$$$
aspirin.cdx
csChFnd80/07171813082D

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Aspirin (Acetylsalicylic acid)

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S3017

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N/A

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COX

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Free Base

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http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

>  <CAS Number> (1,324)
50-78-2

$$$$
Niflumic acid.cdx
csChFnd80/07171813082D

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Niflumic acid

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N/A

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GABA Receptor

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Free Base

>  <URL> (1,325)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (1,325)
4394-00-7

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/07171813082D

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SMI-4a

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N/A

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Pim

>  <Form> (1,326)
Free Base

>  <URL> (1,326)
http://www.selleckchem.com/products/smi-4a.html

>  <CAS Number> (1,326)
438190-29-5

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/07171813082D

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Amprenavir (Agenerase)

>  <Catalog Number> (1,327)
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>  <Synonyms> (1,327)
Agenerase

>  <Target> (1,327)
HIV Protease

>  <Form> (1,327)
Free Base

>  <URL> (1,327)
http://www.selleckchem.com/products/Amprenavir-(Agenerase).html

>  <CAS Number> (1,327)
161814-49-9

$$$$
PREZISTA (darunavir ethanolate).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,328)
1506

>  <Formula> (1,328)
C29H43N3O8S

>  <MolWeight> (1,328)
593.73202

>  <Item Name> (1,328)
Darunavir Ethanolate (Prezista)

>  <Catalog Number> (1,328)
S1620

>  <Synonyms> (1,328)
Prezista, TMC114

>  <Target> (1,328)
HIV Protease

>  <Form> (1,328)
Ethanolate

>  <URL> (1,328)
http://www.selleckchem.com/products/Darunavir-Ethanolate(Prezista).html

>  <CAS Number> (1,328)
635728-49-3

$$$$
Proparacaine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,329)
1507

>  <Formula> (1,329)
C16H27ClN2O3

>  <MolWeight> (1,329)
330.85018

>  <Item Name> (1,329)
Proparacaine HCl

>  <Catalog Number> (1,329)
S1828

>  <Synonyms> (1,329)
N/A

>  <Target> (1,329)
Sodium Channel

>  <Form> (1,329)
Hydrochloride

>  <URL> (1,329)
http://www.selleckchem.com/products/proparacaine-hcl.html

>  <CAS Number> (1,329)
5875-06-9

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/07171813082D

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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
  3  5  2  0  0  0  0
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  4  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,330)
1508

>  <Formula> (1,330)
C18H14N4O5S

>  <MolWeight> (1,330)
398.39256

>  <Item Name> (1,330)
Sulfasalazine (Azulfidine)

>  <Catalog Number> (1,330)
S1576

>  <Synonyms> (1,330)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (1,330)
COX,NF-¦ÊB

>  <Form> (1,330)
Free Base

>  <URL> (1,330)
http://www.selleckchem.com/products/Sulfasalazine(Azulfidine).html

>  <CAS Number> (1,330)
599-79-1

$$$$
SULFAPYRIDINE (sulfapyridine).cdx
csChFnd80/07171813082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,331)
1510

>  <Formula> (1,331)
C11H11N3O2S

>  <MolWeight> (1,331)
249.28894

>  <Item Name> (1,331)
Sulfapyridine (Dagenan)

>  <Catalog Number> (1,331)
S1617

>  <Synonyms> (1,331)
Coccoclase, Eubasin, Eubasinum, Haptocil

>  <Target> (1,331)
Antifection

>  <Form> (1,331)
Free Base

>  <URL> (1,331)
http://www.selleckchem.com/products/Sulfapyridine(Dagenan).html

>  <CAS Number> (1,331)
144-83-2

$$$$
RGD peptide.cdx
csChFnd80/07171813082D

 24 23  0  0  0  0  0  0  0  0999 V2000
    8.4860    2.1137    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,332)
1511

>  <Formula> (1,332)
C12H22N6O6

>  <MolWeight> (1,332)
346.33968

>  <Item Name> (1,332)
RGD (Arg-Gly-Asp) Peptides

>  <Catalog Number> (1,332)
S8008

>  <Synonyms> (1,332)
Arginine-Glycine-Aspartic Acid

>  <Target> (1,332)
Integrase

>  <Form> (1,332)
Free Base

>  <URL> (1,332)
http://www.selleckchem.com/products/rgd-arg-gly-asp-peptides.html

>  <CAS Number> (1,332)
99896-85-2

$$$$
GSK2636771.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,337)
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C15H9Cl2NO2

>  <MolWeight> (1,337)
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>  <Item Name> (1,337)
Apoptosis Activator 2

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S2927

>  <Synonyms> (1,337)
N/A

>  <Target> (1,337)
Caspase

>  <Form> (1,337)
Free Base

>  <URL> (1,337)
http://www.selleckchem.com/products/apoptosis-activator-2.html

>  <CAS Number> (1,337)
79183-19-0

$$$$
GNF-2.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,338)
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>  <Formula> (1,338)
C18H13F3N4O2

>  <MolWeight> (1,338)
374.3166296

>  <Item Name> (1,338)
GNF-2

>  <Catalog Number> (1,338)
S2899

>  <Synonyms> (1,338)
N/A

>  <Target> (1,338)
Bcr-Abl

>  <Form> (1,338)
Free Base

>  <URL> (1,338)
http://www.selleckchem.com/products/gnf-2.html

>  <CAS Number> (1,338)
778270-11-4

$$$$
PQ 401.cdx
csChFnd80/07171813082D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    3.6423    2.8002    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  4  1  0  0  0  0
  5  6  1  0  0  0  0
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  6 15  1  0  0  0  0
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  1 16  1  0  0  0  0
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 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,339)
1518

>  <Formula> (1,339)
C18H16ClN3O2

>  <MolWeight> (1,339)
341.79154

>  <Item Name> (1,339)
PQ 401

>  <Catalog Number> (1,339)
S8003

>  <Synonyms> (1,339)
N/A

>  <Target> (1,339)
IGF-1R

>  <Form> (1,339)
Free Base

>  <URL> (1,339)
http://www.selleckchem.com/products/pq-401.html

>  <CAS Number> (1,339)
196868-63-0

$$$$
Tenovin-1.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,340)
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>  <Formula> (1,340)
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>  <MolWeight> (1,340)
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Tenovin-1

>  <Catalog Number> (1,340)
S8000

>  <Synonyms> (1,340)
N/A

>  <Target> (1,340)
p53

>  <Form> (1,340)
Free Base

>  <URL> (1,340)
http://www.selleckchem.com/products/tenovin-1.html

>  <CAS Number> (1,340)
380315-80-0

$$$$
Pifithrin-¦Á.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,341)
1520

>  <Formula> (1,341)
C16H19BrN2OS

>  <MolWeight> (1,341)
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>  <Item Name> (1,341)
Pifithrin-¦Á (PFT¦Á) HBr

>  <Catalog Number> (1,341)
S2929

>  <Synonyms> (1,341)
N/A

>  <Target> (1,341)
p53

>  <Form> (1,341)
HBr

>  <URL> (1,341)
http://www.selleckchem.com/products/pifithrin-alpha.html

>  <CAS Number> (1,341)
63208-82-2

$$$$
CGS-21680 hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,342)
1522

>  <Formula> (1,342)
C23H30ClN7O6

>  <MolWeight> (1,342)
535.9806

>  <Item Name> (1,342)
CGS 21680 HCl

>  <Catalog Number> (1,342)
S2153

>  <Synonyms> (1,342)
N/A

>  <Target> (1,342)
5-alpha Reductase

>  <Form> (1,342)
Hydrochloride

>  <URL> (1,342)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

>  <CAS Number> (1,342)
124431-80-7

$$$$
Epiandrosterone.cdx
csChFnd80/07171813082D

 25 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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M  END
>  <Mol_ID> (1,343)
1523

>  <Formula> (1,343)
C19H30O2

>  <MolWeight> (1,343)
290.4403

>  <Item Name> (1,343)
Epiandrosterone (3¦Â-androsterone)

>  <Catalog Number> (1,343)
S2832

>  <Synonyms> (1,343)
N/A

>  <Target> (1,343)
Estrogen/progestogen Receptor

>  <Form> (1,343)
Free Base

>  <URL> (1,343)
http://www.selleckchem.com/products/epiandrosterone-3beta-androsterone.html

>  <CAS Number> (1,343)
481-29-8

$$$$
Cathepsin Inhibitor 1.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,344)
1524

>  <Formula> (1,344)
C20H24ClN5O2

>  <MolWeight> (1,344)
401.88986

>  <Item Name> (1,344)
Cathepsin Inhibitor 1

>  <Catalog Number> (1,344)
S2847

>  <Synonyms> (1,344)
N/A

>  <Target> (1,344)
Cysteine Protease

>  <Form> (1,344)
Free Base

>  <URL> (1,344)
http://www.selleckchem.com/products/cathepsin-Inhibitor-1.html

>  <CAS Number> (1,344)
225120-65-0

$$$$

csChFnd80/07171813082D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,345)
1525

>  <Formula> (1,345)
C22H23ClKN6O

>  <MolWeight> (1,345)
462.00892

>  <Item Name> (1,345)
Losartan potassium

>  <Catalog Number> (1,345)
S1359

>  <Synonyms> (1,345)
Cozaar

>  <Target> (1,345)
RAAS

>  <Form> (1,345)
Potassium salt

>  <URL> (1,345)
http://www.selleckchem.com/products/losartan-potassium.html

>  <CAS Number> (1,345)
124750-99-8

$$$$
ZAGAM (sparfloxacin).cdx
csChFnd80/07171813082D

 28 31  0  0  0  0  0  0  0  0999 V2000
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Tolnaftate.cdx
csChFnd80/07171813082D

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118409-57-7

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AICAR (Acadesine)

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AICAR, AICA-riboside

>  <Target> (1,351)
AMPK

>  <Form> (1,351)
Free Base

>  <URL> (1,351)
http://www.selleckchem.com/products/Acadesine.html

>  <CAS Number> (1,351)
2627-69-2

$$$$

csChFnd80/07171813082D

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1535

>  <Formula> (1,352)
C24H22F3N5O5

>  <MolWeight> (1,352)
517.4571896

>  <Item Name> (1,352)
CEP-32496

>  <Catalog Number> (1,352)
S8015

>  <Synonyms> (1,352)
N/A

>  <Target> (1,352)
Raf

>  <Form> (1,352)
Free Base

>  <URL> (1,352)
http://www.selleckchem.com/products/cep-32496.html

>  <CAS Number> (1,352)
1188910-76-0

$$$$
Cobicistat (GS-9350).cdx
csChFnd80/07171813082D

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1536

>  <Formula> (1,353)
C40H53N7O5S2

>  <MolWeight> (1,353)
776.02272

>  <Item Name> (1,353)
Cobicistat (GS-9350)

>  <Catalog Number> (1,353)
S2900

>  <Synonyms> (1,353)
N/A

>  <Target> (1,353)
P450 (e.g. CYP17)

>  <Form> (1,353)
Free Base

>  <URL> (1,353)
http://www.selleckchem.com/products/cobicistat-gs-9350.html

>  <CAS Number> (1,353)
1004316-88-4

$$$$
CP 945598 hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,354)
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>  <Formula> (1,354)
C25H26Cl3N7O

>  <MolWeight> (1,354)
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>  <Item Name> (1,354)
CP-945598 HCl

>  <Catalog Number> (1,354)
S8012

>  <Synonyms> (1,354)
N/A

>  <Target> (1,354)
Cannabinoid Receptor

>  <Form> (1,354)
Hydrochloride

>  <URL> (1,354)
http://www.selleckchem.com/products/cp-945598-hcl.html

>  <CAS Number> (1,354)
686347-12-6

$$$$
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ALK

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$$$$
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960203-27-4

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317318-84-6

$$$$
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866206-55-5

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1403764-72-6

$$$$
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csChFnd80/07171813082D

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305350-87-2

$$$$
acebutolol hydrochloride.cdx
csChFnd80/07171813082D

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>  <Target> (1,373)
Adrenergic Receptor

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Hydrochloride

>  <URL> (1,373)
http://www.selleckchem.com/products/acebutolol-hcl.html

>  <CAS Number> (1,373)
34381-68-5

$$$$
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csChFnd80/07171813082D

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99464-64-9

$$$$
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csChFnd80/07171813082D

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434-13-9

$$$$
Mirabegron.cdx
csChFnd80/07171813082D

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Mirabegron (YM178)

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S4009

>  <Synonyms> (1,376)
N/A

>  <Target> (1,376)
Adrenergic Receptor

>  <Form> (1,376)
Free Base

>  <URL> (1,376)
http://www.selleckchem.com/products/mirabegron-ym178.html

>  <CAS Number> (1,376)
223673-61-8

$$$$
NSC23766.cdx
csChFnd80/07171813082D

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>  <Formula> (1,377)
C24H38Cl3N7

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NSC 23766

>  <Catalog Number> (1,377)
S8031

>  <Synonyms> (1,377)
N/A

>  <Target> (1,377)
Rac

>  <Form> (1,377)
HCl

>  <URL> (1,377)
http://www.selleckchem.com/products/nsc-23766.html

>  <CAS Number> (1,377)
1177865-17-6

$$$$
Pemirolast potassium.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,378)
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>  <Formula> (1,378)
C10H7KN6O

>  <MolWeight> (1,378)
266.30048

>  <Item Name> (1,378)
Pemirolast (BMY 26517) potassium

>  <Catalog Number> (1,378)
S4008

>  <Synonyms> (1,378)
TWT-8152

>  <Target> (1,378)
Histamine Receptor

>  <Form> (1,378)
Potassium

>  <URL> (1,378)
http://www.selleckchem.com/products/pemirolast-bmy-26517-potassium.html

>  <CAS Number> (1,378)
100299-08-9

$$$$
Allylthiourea.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,379)
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>  <Formula> (1,379)
C4H8N2S

>  <MolWeight> (1,379)
116.18472

>  <Item Name> (1,379)
Allylthiourea

>  <Catalog Number> (1,379)
S4017

>  <Synonyms> (1,379)
N/A

>  <Target> (1,379)
Others

>  <Form> (1,379)
Free Base

>  <URL> (1,379)
http://www.selleckchem.com/products/allylthiourea.html

>  <CAS Number> (1,379)
109-57-9

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,380)
1567

>  <Formula> (1,380)
FNa2O3P

>  <MolWeight> (1,380)
143.9499042

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Sodium Monofluorophosphate

>  <Catalog Number> (1,380)
S4013

>  <Synonyms> (1,380)
Sodium Fluorophosphate

>  <Target> (1,380)
Others
phosphatase

>  <Form> (1,380)
Disodium salt

>  <URL> (1,380)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

>  <CAS Number> (1,380)
10163-15-2

$$$$
Hyoscyamine (L).cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,381)
1568

>  <Formula> (1,381)
C17H23NO3

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>  <Item Name> (1,381)
Hyoscyamine (Daturine)

>  <Catalog Number> (1,381)
S4014

>  <Synonyms> (1,381)
N/A

>  <Target> (1,381)
AChR

>  <Form> (1,381)
Free Base

>  <URL> (1,381)
http://www.selleckchem.com/products/hyoscyamine-daturine.html

>  <CAS Number> (1,381)
101-31-5

$$$$
IPI-145.cdx
csChFnd80/07171813082D

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485-49-4

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Free Base

>  <URL> (1,386)
http://www.selleckchem.com/products/avanafil.html

>  <CAS Number> (1,386)
330784-47-9

$$$$
N-Methyl-D-aspartic acid£¨NMDA£©.cdx
csChFnd80/07171813082D

 10  9  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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,387)
1575

>  <Formula> (1,387)
C5H9NO4

>  <MolWeight> (1,387)
147.12926

>  <Item Name> (1,387)
NMDA (N-Methyl-D-aspartic acid)

>  <Catalog Number> (1,387)
S7072

>  <Synonyms> (1,387)
N/A

>  <Target> (1,387)
GluR

>  <Form> (1,387)
Free Base

>  <URL> (1,387)
http://www.selleckchem.com/products/nmda-n-methyl-d-aspartic-acid.html

>  <CAS Number> (1,387)
6384-92-5

$$$$
BENEMID (probenecid).cdx
csChFnd80/07171813082D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.0411    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6742    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6247    1.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1329    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5329    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2124    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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  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,388)
1576

>  <Formula> (1,388)
C13H19NO4S

>  <MolWeight> (1,388)
285.35926

>  <Item Name> (1,388)
Probenecid (Benemid) 

>  <Catalog Number> (1,388)
S4022

>  <Synonyms> (1,388)
Probalan

>  <Target> (1,388)
TRPV

>  <Form> (1,388)
Free Base

>  <URL> (1,388)
http://www.selleckchem.com/products/probenecid-benemid.html

>  <CAS Number> (1,388)
57-66-9

$$$$
procaine hydrochloride.cdx
csChFnd80/07171813082D

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    3.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1241    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.3837    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
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 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,389)
1577

>  <Formula> (1,389)
C13H21ClN2O2

>  <MolWeight> (1,389)
272.77104

>  <Item Name> (1,389)
Procaine (Novocaine) HCl

>  <Catalog Number> (1,389)
S4023

>  <Synonyms> (1,389)
N/A

>  <Target> (1,389)
Sodium Channel

>  <Form> (1,389)
HCl

>  <URL> (1,389)
http://www.selleckchem.com/products/procaine-novocaine-hcl.html

>  <CAS Number> (1,389)
51-05-8

$$$$
sennoside A.cdx
csChFnd80/07171813082D

 62 69  0  0  0  0  0  0  0  0999 V2000
    7.2780   10.4953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,390)
1578

>  <Formula> (1,390)
C42H38O20

>  <MolWeight> (1,390)
862.73912

>  <Item Name> (1,390)
Sennoside A

>  <Catalog Number> (1,390)
S4033

>  <Synonyms> (1,390)
N/A

>  <Target> (1,390)
Others

>  <Form> (1,390)
Free Base

>  <URL> (1,390)
http://www.selleckchem.com/products/sennoside-a.html

>  <CAS Number> (1,390)
81-27-6

$$$$
sennoside B.cdx
csChFnd80/07171813082D

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M  END
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C42H38O20

>  <MolWeight> (1,391)
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>  <Item Name> (1,391)
Sennoside B

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S4018

>  <Synonyms> (1,391)
N/A

>  <Target> (1,391)
Others

>  <Form> (1,391)
Free Base

>  <URL> (1,391)
http://www.selleckchem.com/products/sennoside-b.html

>  <CAS Number> (1,391)
128-57-4

$$$$
Sodium picosulfate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,392)
1580

>  <Formula> (1,392)
C18H13NNa2O8S2

>  <MolWeight> (1,392)
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>  <Item Name> (1,392)
Sodium Picosulfate

>  <Catalog Number> (1,392)
S4020

>  <Synonyms> (1,392)
Sodium Picosulphate

>  <Target> (1,392)
Others

>  <Form> (1,392)
Sodium Salt

>  <URL> (1,392)
http://www.selleckchem.com/products/sodium-picosulfate.html

>  <CAS Number> (1,392)
10040-45-6

$$$$
Tolcapone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,393)
1581

>  <Formula> (1,393)
C14H11NO5

>  <MolWeight> (1,393)
273.24084

>  <Item Name> (1,393)
Tolcapone

>  <Catalog Number> (1,393)
S4021

>  <Synonyms> (1,393)
N/A

>  <Target> (1,393)
Transferase

>  <Form> (1,393)
Free Base

>  <URL> (1,393)
http://www.selleckchem.com/products/tolcapone.html

>  <CAS Number> (1,393)
134308-13-7

$$$$
JNK-IN-8.cdx
csChFnd80/07171813082D

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N/A

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Lipase

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Free Base

>  <URL> (1,399)
http://www.selleckchem.com/products/jzl184.html

>  <CAS Number> (1,399)
1101854-58-3

$$$$
Nabumetone.cdx
csChFnd80/07171813082D

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1589

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C15H16O2

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228.28634

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Nabumetone

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S4051

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Arthaxan, Relafen

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COX

>  <Form> (1,400)
Free Base

>  <URL> (1,400)
http://www.selleckchem.com/products/nabumetone.html

>  <CAS Number> (1,400)
42924-53-8

$$$$
netilmicin sulfate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,401)
1590

>  <Formula> (1,401)
C42H92N10O34S5

>  <MolWeight> (1,401)
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>  <Item Name> (1,401)
Netilmicin Sulfate

>  <Catalog Number> (1,401)
S4052

>  <Synonyms> (1,401)
N/A

>  <Target> (1,401)
Antifection

>  <Form> (1,401)
Sulfate

>  <URL> (1,401)
http://www.selleckchem.com/products/netilmicin-sulfate.html

>  <CAS Number> (1,401)
7664-93-9

$$$$
sertraline hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,402)
1591

>  <Formula> (1,402)
C17H18Cl3N

>  <MolWeight> (1,402)
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>  <Item Name> (1,402)
Sertraline HCl

>  <Catalog Number> (1,402)
S4053

>  <Synonyms> (1,402)
N/A

>  <Target> (1,402)
5-HT Receptor

>  <Form> (1,402)
HCl

>  <URL> (1,402)
http://www.selleckchem.com/products/sertraline-hcl.html

>  <CAS Number> (1,402)
79559-97-0

$$$$
ABT-199.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,403)
1592

>  <Formula> (1,403)
C45H50ClN7O7S

>  <MolWeight> (1,403)
868.4392

>  <Item Name> (1,403)
Venetoclax (ABT-199, GDC-0199)

>  <Catalog Number> (1,403)
S8048

>  <Synonyms> (1,403)
N/A

>  <Target> (1,403)
Bcl-2

>  <Form> (1,403)
Free Base

>  <URL> (1,403)
http://www.selleckchem.com/products/abt-199.html

>  <CAS Number> (1,403)
1257044-40-8

$$$$
Birinapant (TL32711).cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,404)
1593

>  <Formula> (1,404)
C42H56F2N8O6

>  <MolWeight> (1,404)
806.9408464

>  <Item Name> (1,404)
Birinapant (TL32711)

>  <Catalog Number> (1,404)
S7015

>  <Synonyms> (1,404)
N/A

>  <Target> (1,404)
Caspase

>  <Form> (1,404)
Free Base

>  <URL> (1,404)
http://www.selleckchem.com/products/birinapant-tl32711.html

>  <CAS Number> (1,404)
1260251-31-7

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/07171813082D

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Wnt/beta-catenin

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Histone Methyltransferase

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$$$$
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PDE

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608141-41-9

$$$$
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Proteasome

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Free Base

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>  <CAS Number> (1,408)
935888-69-0

$$$$
VX661.cdx
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>  <Target> (1,409)
CFTR

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Free Base

>  <URL> (1,409)
http://www.selleckchem.com/products/vx-661.html

>  <CAS Number> (1,409)
1152311-62-0

$$$$
methyclothiazide.cdx
csChFnd80/07171813082D

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>  <Target> (1,410)
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Free Base

>  <URL> (1,410)
http://www.selleckchem.com/products/methyclothiazide.html

>  <CAS Number> (1,410)
135-07-9

$$$$
retapamulin.cdx
csChFnd80/07171813082D

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>  <Formula> (1,411)
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>  <Synonyms> (1,411)
N/A

>  <Target> (1,411)
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>  <Form> (1,411)
Free Base

>  <URL> (1,411)
http://www.selleckchem.com/products/retapamulin.html

>  <CAS Number> (1,411)
224452-66-8

$$$$
ronidazole.cdx
csChFnd80/07171813082D

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>  <URL> (1,412)
http://www.selleckchem.com/products/ronidazole.html

>  <CAS Number> (1,412)
7681-76-7

$$$$
ropivacaine hydrochloride.cdx
csChFnd80/07171813082D

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C17H27ClN2O

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Ropivacaine HCl

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S4058

>  <Synonyms> (1,413)
N/A

>  <Target> (1,413)
Sodium Channel

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HCl

>  <URL> (1,413)
http://www.selleckchem.com/products/ropivacaine-hcl.html

>  <CAS Number> (1,413)
98717-15-8

$$$$
Vitamin D3.cdx
csChFnd80/07171813082D

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>  <Formula> (1,414)
C27H44O

>  <MolWeight> (1,414)
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>  <Item Name> (1,414)
Vitamin D3 (Cholecalciferol)

>  <Catalog Number> (1,414)
S4063

>  <Synonyms> (1,414)
N/A

>  <Target> (1,414)
Vitamin

>  <Form> (1,414)
Free Base

>  <URL> (1,414)
http://www.selleckchem.com/products/vitamin-d3-cholecalciferol.html

>  <CAS Number> (1,414)
67-97-0

$$$$
Empagliflozin (BI10773).cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,415)
1606

>  <Formula> (1,415)
C23H27ClO7

>  <MolWeight> (1,415)
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>  <Item Name> (1,415)
Empagliflozin (BI10773)

>  <Catalog Number> (1,415)
S8022

>  <Synonyms> (1,415)
N/A

>  <Target> (1,415)
SGLT

>  <Form> (1,415)
Free Base

>  <URL> (1,415)
http://www.selleckchem.com/products/empagliflozin-bi10773.html

>  <CAS Number> (1,415)
864070-44-0

$$$$
Nafcillin sodium monohydrate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,416)
1607

>  <Formula> (1,416)
C21H23N2NaO6S

>  <MolWeight> (1,416)
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>  <Item Name> (1,416)
Nafcillin Sodium

>  <Catalog Number> (1,416)
S4042

>  <Synonyms> (1,416)
N/A

>  <Target> (1,416)
Antifection

>  <Form> (1,416)
sodium Salt

>  <URL> (1,416)
http://www.selleckchem.com/products/nafcillin-sodium.html

>  <CAS Number> (1,416)
7177-50-6

$$$$
norethindrone.cdx
csChFnd80/07171813082D

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    3.6383    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (1,417)
1608

>  <Formula> (1,417)
C20H26O2

>  <MolWeight> (1,417)
298.41924

>  <Item Name> (1,417)
Norethindrone (Norethisterone)

>  <Catalog Number> (1,417)
S4040

>  <Synonyms> (1,417)
N/A

>  <Target> (1,417)
Others

>  <Form> (1,417)
Free Base

>  <URL> (1,417)
http://www.selleckchem.com/products/norethindrone-norethisterone.html

>  <CAS Number> (1,417)
68-22-4

$$$$
olsalazine sodium.cdx
csChFnd80/07171813082D

 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> (1,418)
1609

>  <Formula> (1,418)
C14H8N2Na2O6

>  <MolWeight> (1,418)
346.20266

>  <Item Name> (1,418)
Olsalazine Sodium

>  <Catalog Number> (1,418)
S4041

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
Antifection

>  <Form> (1,418)
Disodium Salt

>  <URL> (1,418)
http://www.selleckchem.com/products/olsalazine-sodium.html

>  <CAS Number> (1,418)
6054-98-4

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/07171813082D

 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> (1,419)
1610

>  <Formula> (1,419)
C13H17ClN2

>  <MolWeight> (1,419)
236.74048

>  <Item Name> (1,419)
Tetrahydrozoline HCl

>  <Catalog Number> (1,419)
S4043

>  <Synonyms> (1,419)
N/A

>  <Target> (1,419)
Adrenergic Receptor

>  <Form> (1,419)
hydrochloride

>  <URL> (1,419)
http://www.selleckchem.com/products/tetrahydrozoline-hcl.html

>  <CAS Number> (1,419)
522-48-5

$$$$
Toltrazuril.cdx
csChFnd80/07171813082D

 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
    3.6373    2.8000    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
    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
    1.2124    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
    0.0000    4.9000    0.0000 O   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
    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> (1,420)
1611

>  <Formula> (1,420)
C18H14F3N3O4S

>  <MolWeight> (1,420)
425.3816696

>  <Item Name> (1,420)
Toltrazuril

>  <Catalog Number> (1,420)
S4044

>  <Synonyms> (1,420)
N/A

>  <Target> (1,420)
Antifection

>  <Form> (1,420)
Free Base

>  <URL> (1,420)
http://www.selleckchem.com/products/toltrazuril.html

>  <CAS Number> (1,420)
69004-03-1

$$$$
Dibucaine HCL.cdx
csChFnd80/07171813082D

 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
    9.6993    6.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  3  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
  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> (1,421)
1612

>  <Formula> (1,421)
C20H30ClN3O2

>  <MolWeight> (1,421)
379.9241

>  <Item Name> (1,421)
Dibucaine (Cinchocaine) HCl

>  <Catalog Number> (1,421)
S4038

>  <Synonyms> (1,421)
N/A

>  <Target> (1,421)
Sodium Channel

>  <Form> (1,421)
hydrochloride

>  <URL> (1,421)
http://www.selleckchem.com/products/dibucaine-cinchocaine-hcl.html

>  <CAS Number> (1,421)
61-12-1

$$$$
Diphemanil methylsulfate.cdx
csChFnd80/07171813082D

 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
    7.6037    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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1613

>  <Formula> (1,422)
C21H27NO4S

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>  <Item Name> (1,422)
Diphemanil Methylsulfate

>  <Catalog Number> (1,422)
S4034

>  <Synonyms> (1,422)
N/A

>  <Target> (1,422)
AChR

>  <Form> (1,422)
Methylsulfate

>  <URL> (1,422)
http://www.selleckchem.com/products/diphemanil-methylsulfate.html

>  <CAS Number> (1,422)
62-97-5

$$$$
Doxapram HCl.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,423)
1614

>  <Formula> (1,423)
C24H33ClN2O3

>  <MolWeight> (1,423)
432.98342

>  <Item Name> (1,423)
Doxapram HCl

>  <Catalog Number> (1,423)
S4037

>  <Synonyms> (1,423)
N/A

>  <Target> (1,423)
Potassium Channel

>  <Form> (1,423)
HCl

>  <URL> (1,423)
http://www.selleckchem.com/products/doxapram-hcl.html

>  <CAS Number> (1,423)
7081-53-0

$$$$
Vitamin D2.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,424)
1615

>  <Formula> (1,424)
C28H44O

>  <MolWeight> (1,424)
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>  <Item Name> (1,424)
Vitamin D2 (Ergocalciferol)

>  <Catalog Number> (1,424)
S4035

>  <Synonyms> (1,424)
N/A

>  <Target> (1,424)
DNA/RNA Synthesis

>  <Form> (1,424)
Free Base

>  <URL> (1,424)
http://www.selleckchem.com/products/vitamin-d2-ergocalciferol.html

>  <CAS Number> (1,424)
50-14-6

$$$$
(+)-JQ1.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,425)
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>  <Formula> (1,425)
C23H25ClN4O2S

>  <MolWeight> (1,425)
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(+)-JQ1

>  <Catalog Number> (1,425)
S7110

>  <Synonyms> (1,425)
N/A

>  <Target> (1,425)
BET

>  <Form> (1,425)
Free Base

>  <URL> (1,425)
http://www.selleckchem.com/products/jq1.html

>  <CAS Number> (1,425)
1268524-70-4

$$$$
Desvenlafaxine succinate.cdx
csChFnd80/07171813082D

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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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 23 25  2  0  0  0  0
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 20 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,426)
1619

>  <Formula> (1,426)
C20H31NO6

>  <MolWeight> (1,426)
381.46324

>  <Item Name> (1,426)
Desvenlafaxine Succinate

>  <Catalog Number> (1,426)
S4112

>  <Synonyms> (1,426)
N/A

>  <Target> (1,426)
5-HT Receptor

>  <Form> (1,426)
Succinate

>  <URL> (1,426)
http://www.selleckchem.com/products/desvenlafaxine-succinate.html

>  <CAS Number> (1,426)
386750-22-7

$$$$
Dicloxacillin sodium.cdx
csChFnd80/07171813082D

 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
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    1.2123    5.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0578    4.2203    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.6334    6.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4509    4.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6602    5.0816    0.0000 Na  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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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
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 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,427)
1620

>  <Formula> (1,427)
C19H18Cl2N3NaO6S

>  <MolWeight> (1,427)
510.32349

>  <Item Name> (1,427)
Dicloxacillin Sodium

>  <Catalog Number> (1,427)
S4111

>  <Synonyms> (1,427)
Diclocil

>  <Target> (1,427)
Antifection

>  <Form> (1,427)
Sodium Salt

>  <URL> (1,427)
http://www.selleckchem.com/products/dicloxacillin-sodium.html

>  <CAS Number> (1,427)
13412-64-1

$$$$
Estradiol benzoate.cdx
csChFnd80/07171813082D

 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
    7.2620    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    2.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2644    4.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8999    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9011    4.1924    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6893    4.8934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1141    4.8913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1153    6.2913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9035    6.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4452    4.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  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
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,428)
1621

>  <Formula> (1,428)
C25H28O3

>  <MolWeight> (1,428)
376.48802

>  <Item Name> (1,428)
Estradiol Benzoate

>  <Catalog Number> (1,428)
S4110

>  <Synonyms> (1,428)
N/A

>  <Target> (1,428)
Estrogen/progestogen Receptor

>  <Form> (1,428)
Free Base

>  <URL> (1,428)
http://www.selleckchem.com/products/estradiol-benzoate.html

>  <CAS Number> (1,428)
50-50-0

$$$$
GSK J4 HCL.cdx
csChFnd80/07171813082D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.9570    4.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3936    2.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6930    2.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0956    3.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2996    5.1221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9015    5.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,429)
1623

>  <Formula> (1,429)
C24H28ClN5O2

>  <MolWeight> (1,429)
453.96442

>  <Item Name> (1,429)
GSK J4 HCl

>  <Catalog Number> (1,429)
S7070

>  <Synonyms> (1,429)
N/A

>  <Target> (1,429)
Histone Demethylase

>  <Form> (1,429)
Hydrochloride

>  <URL> (1,429)
http://www.selleckchem.com/products/gsk-j4-hcl.html

>  <CAS Number> (1,429)
1373423-53-0(free base)

$$$$
STATTIC.cdx
csChFnd80/07171813082D

 14 15  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
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    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9999    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,430)
1624

>  <Formula> (1,430)
C8H5NO4S

>  <MolWeight> (1,430)
211.1946

>  <Item Name> (1,430)
Stattic

>  <Catalog Number> (1,430)
S7024

>  <Synonyms> (1,430)
N/A

>  <Target> (1,430)
STAT

>  <Form> (1,430)
Free Base

>  <URL> (1,430)
http://www.selleckchem.com/products/stattic.html

>  <CAS Number> (1,430)
19983-44-9

$$$$
Tariquidar.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,431)
1625

>  <Formula> (1,431)
C38H38N4O6

>  <MolWeight> (1,431)
646.73152

>  <Item Name> (1,431)
Tariquidar

>  <Catalog Number> (1,431)
S8028

>  <Synonyms> (1,431)
N/A

>  <Target> (1,431)
P-gp

>  <Form> (1,431)
Free Base

>  <URL> (1,431)
http://www.selleckchem.com/products/tariquidar.html

>  <CAS Number> (1,431)
206873-63-4

$$$$
WY 14643.cdx
csChFnd80/07171813082D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,432)
1626

>  <Formula> (1,432)
C14H14ClN3O2S

>  <MolWeight> (1,432)
323.79786

>  <Item Name> (1,432)
WY 14643 (Pirinixic Acid)

>  <Catalog Number> (1,432)
S8029

>  <Synonyms> (1,432)
N/A

>  <Target> (1,432)
PPAR

>  <Form> (1,432)
Free Base

>  <URL> (1,432)
http://www.selleckchem.com/products/wy-14643-pirinixic-acid.html

>  <CAS Number> (1,432)
50892-23-4

$$$$
Aminosalicylate sodium.cdx
csChFnd80/07171813082D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,433)
1628

>  <Formula> (1,433)
C7H6NNaO3

>  <MolWeight> (1,433)
175.11721

>  <Item Name> (1,433)
Sodium 4-Aminosalicylate

>  <Catalog Number> (1,433)
S4073

>  <Synonyms> (1,433)
N/A

>  <Target> (1,433)
NF-¦ÊB

>  <Form> (1,433)
Sodium Salt

>  <URL> (1,433)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

>  <CAS Number> (1,433)
133-10-8

$$$$

csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,434)
1629

>  <Formula> (1,434)
C16H14N2O3S

>  <MolWeight> (1,434)
314.35896

>  <Item Name> (1,434)
Valdecoxib

>  <Catalog Number> (1,434)
S4049

>  <Synonyms> (1,434)
SC-65872, YM-974

>  <Target> (1,434)
COX

>  <Form> (1,434)
Free Base

>  <URL> (1,434)
http://www.selleckchem.com/products/valdecoxib.html

>  <CAS Number> (1,434)
181695-72-7

$$$$
Bisacodyl.cdx
csChFnd80/07171813082D

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  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
  4 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
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  8 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  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,435)
1630

>  <Formula> (1,435)
C22H19NO4

>  <MolWeight> (1,435)
361.39056

>  <Item Name> (1,435)
Bisacodyl

>  <Catalog Number> (1,435)
S4047

>  <Synonyms> (1,435)
N/A

>  <Target> (1,435)
Others

>  <Form> (1,435)
Free Base

>  <URL> (1,435)
http://www.selleckchem.com/products/bisacodyl.html

>  <CAS Number> (1,435)
30652-11-0

$$$$
Carbimazole.cdx
csChFnd80/07171813082D

 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> (1,436)
1631

>  <Formula> (1,436)
C7H10N2O2S

>  <MolWeight> (1,436)
186.2315

>  <Item Name> (1,436)
Carbimazole

>  <Catalog Number> (1,436)
S4048

>  <Synonyms> (1,436)
N/A

>  <Target> (1,436)
Others

>  <Form> (1,436)
Free Base

>  <URL> (1,436)
http://www.selleckchem.com/products/carbimazole.html

>  <CAS Number> (1,436)
22232-54-8

$$$$
Decamethonium bromide.cdx
csChFnd80/07171813082D

 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> (1,437)
1632

>  <Formula> (1,437)
C16H38Br2N2

>  <MolWeight> (1,437)
418.29432

>  <Item Name> (1,437)
Decamethonium Bromide

>  <Catalog Number> (1,437)
S4072

>  <Synonyms> (1,437)
Syncurine

>  <Target> (1,437)
AChR

>  <Form> (1,437)
Bromide

>  <URL> (1,437)
http://www.selleckchem.com/products/decamethonium-bromide.html

>  <CAS Number> (1,437)
541-22-0

$$$$
Estradiol cypionate.cdx
csChFnd80/07171813082D

 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> (1,438)
1633

>  <Formula> (1,438)
C26H36O3

>  <MolWeight> (1,438)
396.56224

>  <Item Name> (1,438)
Estradiol Cypionate

>  <Catalog Number> (1,438)
S4046

>  <Synonyms> (1,438)
N/A

>  <Target> (1,438)
Estrogen/progestogen Receptor

>  <Form> (1,438)
Free Base

>  <URL> (1,438)
http://www.selleckchem.com/products/estradiol-cypionate.html

>  <CAS Number> (1,438)
313-06-4

$$$$
Griseofulvin.cdx
csChFnd80/07171813082D

 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> (1,439)
1634

>  <Formula> (1,439)
C17H17ClO6

>  <MolWeight> (1,439)
352.76628

>  <Item Name> (1,439)
Griseofulvin

>  <Catalog Number> (1,439)
S4071

>  <Synonyms> (1,439)
N/A

>  <Target> (1,439)
Microtubule Associated

>  <Form> (1,439)
Free Base

>  <URL> (1,439)
http://www.selleckchem.com/products/griseofulvin.html

>  <CAS Number> (1,439)
126-07-8

$$$$
Guanidine HCl.cdx
csChFnd80/07171813082D

  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> (1,440)
1635

>  <Formula> (1,440)
CH6ClN3

>  <MolWeight> (1,440)
95.53144

>  <Item Name> (1,440)
Guanidine (Aminoformamidine) HCl

>  <Catalog Number> (1,440)
S4070

>  <Synonyms> (1,440)
N/A

>  <Target> (1,440)
Others

>  <Form> (1,440)
Hydrochloride

>  <URL> (1,440)
http://www.selleckchem.com/products/guanidine-aminoformamidine-hcl.html

>  <CAS Number> (1,440)
50-01-1

$$$$
Hexamethonium bromide.cdx
csChFnd80/07171813082D

 16 13  0  0  0  0  0  0  0  0999 V2000
    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> (1,441)
1636

>  <Formula> (1,441)
C12H30Br2N2

>  <MolWeight> (1,441)
362.188

>  <Item Name> (1,441)
Hexamethonium Dibromide

>  <Catalog Number> (1,441)
S4069

>  <Synonyms> (1,441)
N/A

>  <Target> (1,441)
AChR

>  <Form> (1,441)
Dibromide

>  <URL> (1,441)
http://www.selleckchem.com/products/hexamethonium-bromide.html

>  <CAS Number> (1,441)
55-97-0

$$$$
Mefenamic acid.cdx
csChFnd80/07171813082D

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    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
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    3.6373    2.8000    0.0000 N   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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M  END
>  <Mol_ID> (1,442)
1637

>  <Formula> (1,442)
C15H15NO2

>  <MolWeight> (1,442)
241.2851

>  <Item Name> (1,442)
Mefenamic Acid

>  <Catalog Number> (1,442)
S4078

>  <Synonyms> (1,442)
N/A

>  <Target> (1,442)
COX

>  <Form> (1,442)
Free Base

>  <URL> (1,442)
http://www.selleckchem.com/products/mefenamic-acid.html

>  <CAS Number> (1,442)
61-68-7

$$$$
Mequinol.cdx
csChFnd80/07171813082D

  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
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M  END
>  <Mol_ID> (1,443)
1638

>  <Formula> (1,443)
C7H8O2

>  <MolWeight> (1,443)
124.13722

>  <Item Name> (1,443)
Mequinol

>  <Catalog Number> (1,443)
S4077

>  <Synonyms> (1,443)
N/A

>  <Target> (1,443)
Others

>  <Form> (1,443)
Free Base

>  <URL> (1,443)
http://www.selleckchem.com/products/mequinol.html

>  <CAS Number> (1,443)
150-76-5

$$$$
Propranolol HCl.cdx
csChFnd80/07171813082D

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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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    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
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    9.8075    1.7063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,444)
1639

>  <Formula> (1,444)
C16H22ClNO2

>  <MolWeight> (1,444)
295.80438

>  <Item Name> (1,444)
Propranolol HCl

>  <Catalog Number> (1,444)
S4076

>  <Synonyms> (1,444)
N/A

>  <Target> (1,444)
Adrenergic Receptor

>  <Form> (1,444)
Hydrochloride

>  <URL> (1,444)
http://www.selleckchem.com/products/propranolol-hcl.html

>  <CAS Number> (1,444)
318-98-9

$$$$
Sodium nitrite.cdx
csChFnd80/07171813082D

  4  2  0  0  0  0  0  0  0  0999 V2000
    2.2103    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4227    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
M  END
>  <Mol_ID> (1,445)
1640

>  <Formula> (1,445)
NNaO2

>  <MolWeight> (1,445)
68.99527

>  <Item Name> (1,445)
Sodium Nitrite

>  <Catalog Number> (1,445)
S4074

>  <Synonyms> (1,445)
N/A

>  <Target> (1,445)
Others

>  <Form> (1,445)
Sodium Salt

>  <URL> (1,445)
http://www.selleckchem.com/products/sodium-nitrite.html

>  <CAS Number> (1,445)
7632-00-0

$$$$
Pirarubicin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,446)
1641

>  <Formula> (1,446)
C32H37NO12

>  <MolWeight> (1,446)
627.63568

>  <Item Name> (1,446)
Pirarubicin

>  <Catalog Number> (1,446)
S1393

>  <Synonyms> (1,446)
N/A

>  <Target> (1,446)
Topoisomerase

>  <Form> (1,446)
Free Base

>  <URL> (1,446)
http://www.selleckchem.com/products/Pirarubicin.html

>  <CAS Number> (1,446)
72496-41-4

$$$$
valganciclovir hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,447)
1642

>  <Formula> (1,447)
C14H25ClN6O5

>  <MolWeight> (1,447)
392.8385

>  <Item Name> (1,447)
Valganciclovir Hydrochloride

>  <Catalog Number> (1,447)
S4050

>  <Synonyms> (1,447)
N/A

>  <Target> (1,447)
Antifection

>  <Form> (1,447)
Hydrochloride

>  <URL> (1,447)
http://www.selleckchem.com/products/valganciclovir-hcl.html

>  <CAS Number> (1,447)
175865-59-5

$$$$
Escitalopram oxalate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,448)
1644

>  <Formula> (1,448)
C22H23FN2O5

>  <MolWeight> (1,448)
414.4268232

>  <Item Name> (1,448)
Escitalopram Oxalate

>  <Catalog Number> (1,448)
S4064

>  <Synonyms> (1,448)
S-(+)-Citalopram Oxalate

>  <Target> (1,448)
5-HT Receptor

>  <Form> (1,448)
Oxalate

>  <URL> (1,448)
http://www.selleckchem.com/products/escitalopram-oxalate.html

>  <CAS Number> (1,448)
219861-08-2

$$$$
Guanabenz acetate.cdx
csChFnd80/07171813082D

 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
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    3.6458    6.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,449)
1645

>  <Formula> (1,449)
C10H12Cl2N4O2

>  <MolWeight> (1,449)
291.13388

>  <Item Name> (1,449)
Guanabenz (WY-8678) Acetate

>  <Catalog Number> (1,449)
S4065

>  <Synonyms> (1,449)
N/A

>  <Target> (1,449)
Adrenergic Receptor

>  <Form> (1,449)
Acetate

>  <URL> (1,449)
http://www.selleckchem.com/products/guanabenz-wy-8678-acetate.html

>  <CAS Number> (1,449)
23256-50-0

$$$$
GW2580.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,450)
1646

>  <Formula> (1,450)
C20H22N4O3

>  <MolWeight> (1,450)
366.41368

>  <Item Name> (1,450)
GW2580

>  <Catalog Number> (1,450)
S8042

>  <Synonyms> (1,450)
N/A

>  <Target> (1,450)
CSF-1R

>  <Form> (1,450)
Free Base

>  <URL> (1,450)
http://www.selleckchem.com/products/gw2580.html

>  <CAS Number> (1,450)
870483-87-7

$$$$
tinidazole.cdx
csChFnd80/07171813082D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,451)
1647

>  <Formula> (1,451)
C8H13N3O4S

>  <MolWeight> (1,451)
247.27152

>  <Item Name> (1,451)
Tinidazole

>  <Catalog Number> (1,451)
S4068

>  <Synonyms> (1,451)
N/A

>  <Target> (1,451)
Antifection

>  <Form> (1,451)
Free Base

>  <URL> (1,451)
http://www.selleckchem.com/products/tinidazole.html

>  <CAS Number> (1,451)
19387-91-8

$$$$
Ticagrelor.cdx
csChFnd80/07171813082D

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 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
  9  7  2  0  0  0  0
 14  8  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  1  0  0  0
 11 10  1  0  0  0  0
 13 10  1  0  0  0  0
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 17 12  1  0  0  0  0
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 24 14  1  0  0  0  0
 19 15  1  0  0  0  0
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 20 18  2  0  0  0  0
 23 18  1  0  0  0  0
 19 29  1  1  0  0  0
 21 20  1  0  0  0  0
 28 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 25  1  0  0  0  0
 30 22  1  0  0  0  0
 25 23  2  0  0  0  0
 32 24  1  0  0  0  0
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 31 34  1  0  0  0  0
 35 32  1  0  0  0  0
 34 33  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,452)
1649

>  <Formula> (1,452)
C23H28F2N6O4S

>  <MolWeight> (1,452)
522.5680264

>  <Item Name> (1,452)
Ticagrelor

>  <Catalog Number> (1,452)
S4079

>  <Synonyms> (1,452)
AZD6140

>  <Target> (1,452)
P2 Receptor

>  <Form> (1,452)
Free Base

>  <URL> (1,452)
http://www.selleckchem.com/products/ticagrelor.html

>  <CAS Number> (1,452)
274693-27-5

$$$$
DYRENIUM (triamterene).cdx
csChFnd80/07171813082D

 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
    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
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 N   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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0024    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
    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
  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  2  0  0  0  0
 10  4  1  0  0  0  0
  1 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,453)
1650

>  <Formula> (1,453)
C12H11N7

>  <MolWeight> (1,453)
253.26264

>  <Item Name> (1,453)
Triamterene

>  <Catalog Number> (1,453)
S4080

>  <Synonyms> (1,453)
N/A

>  <Target> (1,453)
Sodium Channel

>  <Form> (1,453)
Free Base

>  <URL> (1,453)
http://www.selleckchem.com/products/triamterene.html

>  <CAS Number> (1,453)
396-01-0

$$$$
Ethambutol Hydrochloride.cdx
csChFnd80/07171813082D

 16 13  0  0  0  0  0  0  0  0999 V2000
    2.4461    2.7512    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6800    2.0405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    2.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461    4.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8964    2.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470    4.8266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1259    2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424    2.7685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5589    2.0754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7710    2.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5589    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3469    5.7963    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    5.7963    0.0000 Cl  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
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
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 10 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> (1,454)
1651

>  <Formula> (1,454)
C10H26Cl2N2O2

>  <MolWeight> (1,454)
277.23164

>  <Item Name> (1,454)
Ethambutol HCl

>  <Catalog Number> (1,454)
S4004

>  <Synonyms> (1,454)
N/A

>  <Target> (1,454)
Antifection

>  <Form> (1,454)
Dihydrochloride

>  <URL> (1,454)
http://www.selleckchem.com/products/ethambutol-hcl.html

>  <CAS Number> (1,454)
1070-11-7

$$$$
EQUIPIN (homatropine methylbromide).cdx
csChFnd80/07171813082D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.7009    5.9029    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.3028    2.5486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    3.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813    3.8613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3028    5.3125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1668    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106    2.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8668    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3129    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2928    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713    4.8513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3095    1.1535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4957    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7039    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7039    3.4927    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
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  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  5 12  1  6  0  0  0
  9 13  1  6  0  0  0
  2 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,455)
1652

>  <Formula> (1,455)
C17H24BrNO3

>  <MolWeight> (1,455)
370.28136

>  <Item Name> (1,455)
Homatropine Methylbromide

>  <Catalog Number> (1,455)
S4024

>  <Synonyms> (1,455)
N/A

>  <Target> (1,455)
AChR

>  <Form> (1,455)
quaternary-N bromide salt

>  <URL> (1,455)
http://www.selleckchem.com/products/homatropine-methylbromide.html

>  <CAS Number> (1,455)
80-49-9

$$$$
Homatropine bromide.cdx
csChFnd80/07171813082D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.7119    3.0029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3224    4.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069    2.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9231    2.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2961    3.4147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1326    3.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6941    6.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5589    4.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3477    2.3004    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1326    4.3959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    7.5888    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
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  5 21  1  6  0  0  0
  6 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  1  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
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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> (1,456)
1653

>  <Formula> (1,456)
C16H22BrNO3

>  <MolWeight> (1,456)
356.25478

>  <Item Name> (1,456)
Homatropine Bromide

>  <Catalog Number> (1,456)
S4025

>  <Synonyms> (1,456)
N/A

>  <Target> (1,456)
AChR

>  <Form> (1,456)
quaternary-N bromide salt

>  <URL> (1,456)
http://www.selleckchem.com/products/homatropine-bromide.html

>  <CAS Number> (1,456)
51-56-9

$$$$
Hydroxyzine dihydrochloride.cdx
csChFnd80/07171813082D

 28 28  0  0  0  0  0  0  0  0999 V2000
    8.9060    4.2083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1182    4.9082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6944    4.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9060    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3211    4.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1114    6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6940    6.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4735    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1181    2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849    2.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5217    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3349    7.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1123    0.7028    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  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,457)
1654

>  <Formula> (1,457)
C21H29Cl3N2O2

>  <MolWeight> (1,457)
447.82616

>  <Item Name> (1,457)
Hydroxyzine 2HCl

>  <Catalog Number> (1,457)
S4026

>  <Synonyms> (1,457)
N/A

>  <Target> (1,457)
Histamine Receptor

>  <Form> (1,457)
dihydrochloride

>  <URL> (1,457)
http://www.selleckchem.com/products/hydroxyzine-2hcl.html

>  <CAS Number> (1,457)
2192-20-3

$$$$
Flavoxate HCL.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,458)
1655

>  <Formula> (1,458)
C24H26ClNO4

>  <MolWeight> (1,458)
427.92054

>  <Item Name> (1,458)
Flavoxate HCl

>  <Catalog Number> (1,458)
S4027

>  <Synonyms> (1,458)
N/A

>  <Target> (1,458)
AChR

>  <Form> (1,458)
hydrochloride

>  <URL> (1,458)
http://www.selleckchem.com/products/flavoxate-hcl.html

>  <CAS Number> (1,458)
3717-88-2

$$$$
Aclidinium bromide.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,459)
1656

>  <Formula> (1,459)
C26H30BrNO4S2

>  <MolWeight> (1,459)
564.5547

>  <Item Name> (1,459)
Aclidinium Bromide

>  <Catalog Number> (1,459)
S4031

>  <Synonyms> (1,459)
N/A

>  <Target> (1,459)
AChR

>  <Form> (1,459)
quaternary-N bromide salt

>  <URL> (1,459)
http://www.selleckchem.com/products/aclidinium-bromide.html

>  <CAS Number> (1,459)
320345-99-1

$$$$
Butein.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,460)
1657

>  <Formula> (1,460)
C15H12O5

>  <MolWeight> (1,460)
272.25278

>  <Item Name> (1,460)
Butein

>  <Catalog Number> (1,460)
S8036

>  <Synonyms> (1,460)
N/A

>  <Target> (1,460)
EGFR

>  <Form> (1,460)
Free Base

>  <URL> (1,460)
https://www.selleckchem.com/products/butein.html

>  <CAS Number> (1,460)
487-52-5

$$$$
Deoxyarbutin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,461)
1658

>  <Formula> (1,461)
C11H14O3

>  <MolWeight> (1,461)
194.22706

>  <Item Name> (1,461)
Deoxyarbutin

>  <Catalog Number> (1,461)
S4132

>  <Synonyms> (1,461)
D-arbutin

>  <Target> (1,461)
Tyrosinase

>  <Form> (1,461)
Free Base

>  <URL> (1,461)
https://www.selleckchem.com/products/deoxyarbutin.html

>  <CAS Number> (1,461)
53936-56-4

$$$$
Levodropropizine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,462)
1660

>  <Formula> (1,462)
C13H20N2O2

>  <MolWeight> (1,462)
236.3101

>  <Item Name> (1,462)
Levodropropizine

>  <Catalog Number> (1,462)
S4131

>  <Synonyms> (1,462)
N/A

>  <Target> (1,462)
Histamine Receptor

>  <Form> (1,462)
Free Base

>  <URL> (1,462)
https://www.selleckchem.com/products/levodropropizine.html

>  <CAS Number> (1,462)
99291-25-5

$$$$
Mildronate.cdx
csChFnd80/07171813082D

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    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,463)
1661

>  <Formula> (1,463)
C6H15N2O2+

>  <MolWeight> (1,463)
147.1955

>  <Item Name> (1,463)
Mildronate

>  <Catalog Number> (1,463)
S4130

>  <Synonyms> (1,463)
N/A

>  <Target> (1,463)
Hydroxylase

>  <Form> (1,463)
Free Base

>  <URL> (1,463)
https://www.selleckchem.com/products/mildronate.html

>  <CAS Number> (1,463)
76144-81-5

$$$$
Pefloxacin mesylate dihydrate.cdx
csChFnd80/07171813082D

 31 30  0  0  0  0  0  0  0  0999 V2000
    7.2652    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    3.3661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    3.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    6.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    6.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    1.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    7.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2380    1.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    3.3661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    6.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    6.1945    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    1.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1071    5.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    7.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073    1.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927    3.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927    1.9600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5464    1.3734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.9248    1.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1676    1.3734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5464    2.7520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5464    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999    9.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2999    9.6812    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  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
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  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
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,464)
1662

>  <Formula> (1,464)
C18H28FN3O8S

>  <MolWeight> (1,464)
465.4936232

>  <Item Name> (1,464)
Pefloxacin Mesylate Dihydrate

>  <Catalog Number> (1,464)
S4119

>  <Synonyms> (1,464)
N/A

>  <Target> (1,464)
Topoisomerase

>  <Form> (1,464)
Mesylate

>  <URL> (1,464)
https://www.selleckchem.com/products/pefloxacin-mesylate-dihydrate.html

>  <CAS Number> (1,464)
149676-40-4

$$$$
sodium phenylbutyrate.cdx
csChFnd80/07171813082D

 13 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
    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
    2.4249    2.1000    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
    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 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
    8.4870    0.0000    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    0.7000    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
  1  5  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
  6 11  2  0  0  0  0
  4  6  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,465)
1665

>  <Formula> (1,465)
C10H11NaO2

>  <MolWeight> (1,465)
186.18291

>  <Item Name> (1,465)
Sodium Phenylbutyrate

>  <Catalog Number> (1,465)
S4125

>  <Synonyms> (1,465)
N/A

>  <Target> (1,465)
HDAC

>  <Form> (1,465)
Sodium Salt

>  <URL> (1,465)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

>  <CAS Number> (1,465)
1716-12-7

$$$$
Succinylcholine Chloride Dihydrate.cdx
csChFnd80/07171813082D

 24 19  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
    1.9124    0.1876    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
    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
    9.6995    3.5000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.2492    0.8876    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
   13.8492    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448    5.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7350    5.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8808    6.1809    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    7.8746    4.7803    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  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
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,466)
1666

>  <Formula> (1,466)
C14H34Cl2N2O6

>  <MolWeight> (1,466)
397.33556

>  <Item Name> (1,466)
Succinylcholine Chloride Dihydrate

>  <Catalog Number> (1,466)
S4121

>  <Synonyms> (1,466)
Suxamethonium Chloride Dihydrate

>  <Target> (1,466)
AChR

>  <Form> (1,466)
Chloride

>  <URL> (1,466)
https://www.selleckchem.com/products/succinylcholine-suxamethonium-chloride-dihydrate.html

>  <CAS Number> (1,466)
6101-15-1

$$$$
Sulconazle Nitrate.cdx
csChFnd80/07171813082D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.2085    9.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    9.3131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    8.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    7.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.6297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5297    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7297    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.7297    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.8297    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.7297    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9117    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6992    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9117    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1241    0.0000    0.0000 O   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
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
  9 15  1  0  0  0  0
  7  8  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
 18 23  2  0  0  0  0
 16 17  1  0  0  0  0
 21 24  1  0  0  0  0
  7 16  1  0  0  0  0
  5  6  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> (1,467)
1667

>  <Formula> (1,467)
C18H16Cl3N3O3S

>  <MolWeight> (1,467)
460.76194

>  <Item Name> (1,467)
Sulconazole Nitrate

>  <Catalog Number> (1,467)
S4120

>  <Synonyms> (1,467)
N/A

>  <Target> (1,467)
Antifection

>  <Form> (1,467)
Nitrate

>  <URL> (1,467)
https://www.selleckchem.com/products/sulconazole-nitrate.html

>  <CAS Number> (1,467)
82382-23-8

$$$$
Terbutaline sulfate.cdx
csChFnd80/07171813082D

 37 36  0  0  0  0  0  0  0  0999 V2000
    8.9399   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7274   11.2317    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1566   11.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9399    9.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5150   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7274   12.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3733   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1566    8.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3026   11.2317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3733    9.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5857   11.2317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1566    7.0244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0901   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3901   11.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8777    9.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7901    9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9399    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7274    4.2073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1566    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9399    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5150    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7274    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3733    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1566    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,468)
1668

>  <Formula> (1,468)
C24H40N2O10S

>  <MolWeight> (1,468)
548.6468

>  <Item Name> (1,468)
Terbutaline Sulfate

>  <Catalog Number> (1,468)
S4127

>  <Synonyms> (1,468)
N/A

>  <Target> (1,468)
Adrenergic Receptor

>  <Form> (1,468)
Sulfate

>  <URL> (1,468)
https://www.selleckchem.com/products/terbutaline-sulfate.html

>  <CAS Number> (1,468)
23031-32-5 

$$$$
Tilmicosin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,469)
1669

>  <Formula> (1,469)
C46H80N2O13

>  <MolWeight> (1,469)
869.133

>  <Item Name> (1,469)
Tilmicosin

>  <Catalog Number> (1,469)
S4122

>  <Synonyms> (1,469)
N/A

>  <Target> (1,469)
Antifection

>  <Form> (1,469)
Free Base

>  <URL> (1,469)
https://www.selleckchem.com/products/tilmicosin.html

>  <CAS Number> (1,469)
108050-54-0

$$$$
Timolol Maleate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,470)
1670

>  <Formula> (1,470)
C17H28N4O7S

>  <MolWeight> (1,470)
432.49182

>  <Item Name> (1,470)
Timolol Maleate

>  <Catalog Number> (1,470)
S4123

>  <Synonyms> (1,470)
N/A

>  <Target> (1,470)
Adrenergic Receptor

>  <Form> (1,470)
Maleate

>  <URL> (1,470)
https://www.selleckchem.com/products/timolol-maleate.html

>  <CAS Number> (1,470)
26921-17-5

$$$$
Tolazoline HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,471)
1671

>  <Formula> (1,471)
C10H13ClN2

>  <MolWeight> (1,471)
196.67662

>  <Item Name> (1,471)
Tolazoline HCl

>  <Catalog Number> (1,471)
S4124

>  <Synonyms> (1,471)
N/A

>  <Target> (1,471)
Adrenergic Receptor

>  <Form> (1,471)
Hydrochloride

>  <URL> (1,471)
https://www.selleckchem.com/products/tolazoline-hcl.html

>  <CAS Number> (1,471)
59-97-2

$$$$
Troxipide.cdx
csChFnd80/07171813082D

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Histone Methyltransferase

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Free Base

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https://www.selleckchem.com/products/epz004777.html

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1338466-77-5

$$$$
XL888.cdx
csChFnd80/07171813082D

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HSP (e.g. HSP90)

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https://www.selleckchem.com/products/xl888.html

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1149705-71-4

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p276-00.cdx
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CDK

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HCl

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https://www.selleckchem.com/products/p276-00.html

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920113-03-7

$$$$
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csChFnd80/07171813082D

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http://www.selleckchem.com/products/ampicillin-trihydrate.html

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7177-48-2 

$$$$
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Src

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172889-26-8

$$$$
CGK 733.cdx
csChFnd80/07171813082D

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http://www.selleckchem.com/products/cgk-733.html

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905973-89-9

$$$$
Amprolium HCl.cdx
csChFnd80/07171813082D

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Amprolium HCl

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Vitamin

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Hydrochloride

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http://www.selleckchem.com/products/amprolium-hcl.html

>  <CAS Number> (1,497)
137-88-2

$$$$
Azithromycin dihydrate.cdx
csChFnd80/07171813082D

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1700

>  <Formula> (1,498)
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>  <MolWeight> (1,498)
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>  <Item Name> (1,498)
Azithromycin Dihydrate

>  <Catalog Number> (1,498)
S4147

>  <Synonyms> (1,498)
N/A

>  <Target> (1,498)
Antifection

>  <Form> (1,498)
Free Base

>  <URL> (1,498)
http://www.selleckchem.com/products/azithromycin-dihydrate.html

>  <CAS Number> (1,498)
117772-70-0

$$$$
Bacitracin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,499)
1701

>  <Formula> (1,499)
C65H101N17O16S

>  <MolWeight> (1,499)
1408.66674

>  <Item Name> (1,499)
Bacitracin

>  <Catalog Number> (1,499)
S4146

>  <Synonyms> (1,499)
N/A

>  <Target> (1,499)
Antifection

>  <Form> (1,499)
Free Base

>  <URL> (1,499)
http://www.selleckchem.com/products/bacitracin.html

>  <CAS Number> (1,499)
1405-87-4

$$$$
Cyclizine 2HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,500)
1703

>  <Formula> (1,500)
C18H24Cl2N2

>  <MolWeight> (1,500)
339.30256

>  <Item Name> (1,500)
Cyclizine 2HCl

>  <Catalog Number> (1,500)
S4139

>  <Synonyms> (1,500)
N/A

>  <Target> (1,500)
Histamine Receptor

>  <Form> (1,500)
Hydrochloride

>  <URL> (1,500)
http://www.selleckchem.com/products/cyclizine-2hcl.html

>  <CAS Number> (1,500)
5897-18-7

$$$$
Dinitolmide.cdx
csChFnd80/07171813082D

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220036-08-8

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IU1.cdx
csChFnd80/07171813082D

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Proteasome

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314245-33-5

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304909-07-7

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36653-82-4

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>  <CAS Number> (1,510)
61618-27-7

$$$$
Benzydamine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,511)
1715

>  <Formula> (1,511)
C19H24ClN3O

>  <MolWeight> (1,511)
345.86636

>  <Item Name> (1,511)
Benzydamine Hydrochloride

>  <Catalog Number> (1,511)
S4165

>  <Synonyms> (1,511)
N/A

>  <Target> (1,511)
Immunology & Inflammation related

>  <Form> (1,511)
Hydrochloride

>  <URL> (1,511)
http://www.selleckchem.com/products/benzydamine-hcl.html

>  <CAS Number> (1,511)
132-69-4

$$$$
Betamipron.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,512)
1716

>  <Formula> (1,512)
C10H11NO3

>  <MolWeight> (1,512)
193.19924

>  <Item Name> (1,512)
Betamipron

>  <Catalog Number> (1,512)
S4191

>  <Synonyms> (1,512)
N/A

>  <Target> (1,512)
Antifection

>  <Form> (1,512)
Free Base

>  <URL> (1,512)
http://www.selleckchem.com/products/betamipron.html

>  <CAS Number> (1,512)
3440-28-6

$$$$
RIMADYL (carprofen).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,513)
1717

>  <Formula> (1,513)
C15H12ClNO2

>  <MolWeight> (1,513)
273.71428

>  <Item Name> (1,513)
Carprofen

>  <Catalog Number> (1,513)
S4136

>  <Synonyms> (1,513)
N/A

>  <Target> (1,513)
COX

>  <Form> (1,513)
Free Base

>  <URL> (1,513)
http://www.selleckchem.com/products/carprofen.html

>  <CAS Number> (1,513)
53716-49-7

$$$$
Ceftriaxone sodium trihydrate.cdx
csChFnd80/07171813082D

 39 39  0  0  0  0  0  0  0  0999 V2000
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A   39
3.5H2O
M  END
>  <Mol_ID> (1,514)
1718

>  <Formula> (1,514)
C18H16N8Na2O7RS3

>  <MolWeight> (1,514)
598.54358

>  <Item Name> (1,514)
Ceftriaxone Sodium Trihydrate

>  <Catalog Number> (1,514)
S4158

>  <Synonyms> (1,514)
N/A

>  <Target> (1,514)
Antifection

>  <Form> (1,514)
Free Base

>  <URL> (1,514)
http://www.selleckchem.com/products/ceftriaxone-sodium-trihydrate.html

>  <CAS Number> (1,514)
104376-79-6

$$$$
Cetylpyridinium chloride.cdx
csChFnd80/07171813082D

 23 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,515)
1719

>  <Formula> (1,515)
C21H38ClN

>  <MolWeight> (1,515)
339.98612

>  <Item Name> (1,515)
Cetylpyridinium Chloride

>  <Catalog Number> (1,515)
S4172

>  <Synonyms> (1,515)
N/A

>  <Target> (1,515)
Antifection

>  <Form> (1,515)
Chloride

>  <URL> (1,515)
http://www.selleckchem.com/products/cetylpyridinium-chloride.html

>  <CAS Number> (1,515)
123-03-5

$$$$
Chloroquine phosphate.cdx
csChFnd80/07171813082D

 32 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,516)
1720

>  <Formula> (1,516)
C18H32ClN3O8P2

>  <MolWeight> (1,516)
515.862502

>  <Item Name> (1,516)
Chloroquine Phosphate

>  <Catalog Number> (1,516)
S4157

>  <Synonyms> (1,516)
N/A

>  <Target> (1,516)
Others

>  <Form> (1,516)
Diphosphate

>  <URL> (1,516)
http://www.selleckchem.com/products/chloroquine-phosphate.html

>  <CAS Number> (1,516)
50-63-5

$$$$
Chlorpropamide.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,517)
1721

>  <Formula> (1,517)
C10H13ClN2O3S

>  <MolWeight> (1,517)
276.73982

>  <Item Name> (1,517)
Chlorpropamide

>  <Catalog Number> (1,517)
S4166

>  <Synonyms> (1,517)
N/A

>  <Target> (1,517)
Others

>  <Form> (1,517)
Free Base

>  <URL> (1,517)
http://www.selleckchem.com/products/chlorpropamide.html

>  <CAS Number> (1,517)
94-20-2

$$$$
Chlorquinaldol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,518)
1722

>  <Formula> (1,518)
C10H7Cl2NO

>  <MolWeight> (1,518)
228.07468

>  <Item Name> (1,518)
Chlorquinaldol

>  <Catalog Number> (1,518)
S4192

>  <Synonyms> (1,518)
N/A

>  <Target> (1,518)
Antifection

>  <Form> (1,518)
Free Base

>  <URL> (1,518)
http://www.selleckchem.com/products/chlorquinaldol.html

>  <CAS Number> (1,518)
72-80-0

$$$$
Chlortetracycline HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,519)
1723

>  <Formula> (1,519)
C22H24Cl2N2O8

>  <MolWeight> (1,519)
515.34056

>  <Item Name> (1,519)
Chlortetracycline HCl

>  <Catalog Number> (1,519)
S4156

>  <Synonyms> (1,519)
N/A

>  <Target> (1,519)
Antifection

>  <Form> (1,519)
Hydrochloride

>  <URL> (1,519)
http://www.selleckchem.com/products/chlortetracycline-hcl.html

>  <CAS Number> (1,519)
64-72-2

$$$$
Chlorzoxazone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,520)
1724

>  <Formula> (1,520)
C7H4ClNO2

>  <MolWeight> (1,520)
169.56516

>  <Item Name> (1,520)
Chlorzoxazone

>  <Catalog Number> (1,520)
S4155

>  <Synonyms> (1,520)
N/A

>  <Target> (1,520)
P450 (e.g. CYP17)

>  <Form> (1,520)
Free Base

>  <URL> (1,520)
http://www.selleckchem.com/products/chlorzoxazone.html

>  <CAS Number> (1,520)
95-25-0

$$$$
Cinchophen.cdx
csChFnd80/07171813082D

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    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> (1,521)
1727

>  <Formula> (1,521)
C16H11NO2

>  <MolWeight> (1,521)
249.26404

>  <Item Name> (1,521)
Cinchophen

>  <Catalog Number> (1,521)
S4190

>  <Synonyms> (1,521)
N/A

>  <Target> (1,521)
Others

>  <Form> (1,521)
Free Base

>  <URL> (1,521)
http://www.selleckchem.com/products/cinchophen.html

>  <CAS Number> (1,521)
132-60-5

$$$$
Climbazole.cdx
csChFnd80/07171813082D

 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
    9.8687    4.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5078    6.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    4.8512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  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> (1,522)
1728

>  <Formula> (1,522)
C15H17ClN2O2

>  <MolWeight> (1,522)
292.76068

>  <Item Name> (1,522)
Climbazole

>  <Catalog Number> (1,522)
S4178

>  <Synonyms> (1,522)
N/A

>  <Target> (1,522)
Antifection

>  <Form> (1,522)
Free Base

>  <URL> (1,522)
http://www.selleckchem.com/products/climbazole.html

>  <CAS Number> (1,522)
38083-17-9

$$$$
Clofazimine.cdx
csChFnd80/07171813082D

 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
    7.2549    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    2.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    2.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.6266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    1.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    8.4052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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  2  0  0  0  0
  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> (1,523)
1729

>  <Formula> (1,523)
C27H22Cl2N4

>  <MolWeight> (1,523)
473.39638

>  <Item Name> (1,523)
Clofazimine

>  <Catalog Number> (1,523)
S4107

>  <Synonyms> (1,523)
N/A

>  <Target> (1,523)
Phospholipase (e.g. PLA)

>  <Form> (1,523)
Free Base

>  <URL> (1,523)
http://www.selleckchem.com/products/clofazimine.html

>  <CAS Number> (1,523)
2030-63-9

$$$$
Clorprenaline HCl.cdx
csChFnd80/07171813082D

 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
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  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
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,524)
1730

>  <Formula> (1,524)
C11H17Cl2NO

>  <MolWeight> (1,524)
250.16478

>  <Item Name> (1,524)
Clorprenaline HCL

>  <Catalog Number> (1,524)
S4135

>  <Synonyms> (1,524)
N/A

>  <Target> (1,524)
Adrenergic Receptor

>  <Form> (1,524)
Hydrochloride

>  <URL> (1,524)
http://www.selleckchem.com/products/clorprenaline-hcl.html

>  <CAS Number> (1,524)
6933-90-0

$$$$
Closantel sodium.cdx
csChFnd80/07171813082D

 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
    7.2797    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0676    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3470    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5593    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0676    3.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5593    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7716    3.5070    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    3.5070    0.0000 C   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
  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  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  3  0  0  0  0
  7 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
 13 17  1  0  0  0  0
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 17 19  1  0  0  0  0
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 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,525)
1732

>  <Formula> (1,525)
C22H13Cl2I2N2NaO2

>  <MolWeight> (1,525)
685.05553

>  <Item Name> (1,525)
Closantel Sodium

>  <Catalog Number> (1,525)
S4105

>  <Synonyms> (1,525)
N/A

>  <Target> (1,525)
Antifection

>  <Form> (1,525)
Sodium Salt

>  <URL> (1,525)
http://www.selleckchem.com/products/closantel-sodium.html

>  <CAS Number> (1,525)
61438-64-0

$$$$
Coumarin.cdx
csChFnd80/07171813082D

 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
    4.8496    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7999    0.0000 C   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
    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  2  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
  6  7  1  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> (1,526)
1733

>  <Formula> (1,526)
C9H6O2

>  <MolWeight> (1,526)
146.14274

>  <Item Name> (1,526)
Coumarin

>  <Catalog Number> (1,526)
S4170

>  <Synonyms> (1,526)
N/A

>  <Target> (1,526)
PARP

>  <Form> (1,526)
Free Base

>  <URL> (1,526)
http://www.selleckchem.com/products/coumarin.html

>  <CAS Number> (1,526)
91-64-5

$$$$
Cyclandelate.cdx
csChFnd80/07171813082D

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>  <Formula> (1,527)
C17H24O3

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>  <Item Name> (1,527)
Cyclandelate

>  <Catalog Number> (1,527)
S4189

>  <Target> (1,527)
Others

>  <Form> (1,527)
Free Base

>  <URL> (1,527)
http://www.selleckchem.com/products/cyclandelate.html

>  <CAS Number> (1,527)
456-59-7

$$$$
Cyromazine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,528)
1735

>  <Formula> (1,528)
C6H10N6

>  <MolWeight> (1,528)
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>  <Item Name> (1,528)
Cyromazine

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S4167

>  <Synonyms> (1,528)
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>  <Target> (1,528)
Antifection

>  <Form> (1,528)
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>  <URL> (1,528)
http://www.selleckchem.com/products/cyromazine.html

>  <CAS Number> (1,528)
66215-27-8

$$$$
Dexlansoprazole.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,529)
1736

>  <Formula> (1,529)
C16H14F3N3O2S

>  <MolWeight> (1,529)
369.3614696

>  <Item Name> (1,529)
Dexlansoprazole

>  <Catalog Number> (1,529)
S4099

>  <Synonyms> (1,529)
N/A

>  <Target> (1,529)
Proton Pump

>  <Form> (1,529)
Free Base

>  <URL> (1,529)
http://www.selleckchem.com/products/dexlansoprazole.html

>  <CAS Number> (1,529)
138530-94-6

$$$$
Doxofylline.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,530)
1737

>  <Formula> (1,530)
C11H14N4O4

>  <MolWeight> (1,530)
266.25326

>  <Item Name> (1,530)
Doxofylline

>  <Catalog Number> (1,530)
S4164

>  <Synonyms> (1,530)
N/A

>  <Target> (1,530)
PDE

>  <Form> (1,530)
Free Base

>  <URL> (1,530)
http://www.selleckchem.com/products/doxofylline.html

>  <CAS Number> (1,530)
69975-86-6

$$$$
Dropropizine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,531)
1738

>  <Formula> (1,531)
C13H20N2O2

>  <MolWeight> (1,531)
236.3101

>  <Item Name> (1,531)
Dropropizine

>  <Catalog Number> (1,531)
S4138

>  <Synonyms> (1,531)
N/A

>  <Target> (1,531)
Others

>  <Form> (1,531)
Free Base

>  <URL> (1,531)
http://www.selleckchem.com/products/dropropizine.html

>  <CAS Number> (1,531)
17692-31-8

$$$$
Eprazinone 2HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,532)
1739

>  <Formula> (1,532)
C24H34Cl2N2O2

>  <MolWeight> (1,532)
453.44496

>  <Item Name> (1,532)
Eprazinone 2HCl

>  <Catalog Number> (1,532)
S4137

>  <Synonyms> (1,532)
N/A

>  <Target> (1,532)
Free Base

>  <Form> (1,532)
HCl

>  <URL> (1,532)
http://www.selleckchem.com/products/eprazinone-2hcl.html

>  <CAS Number> (1,532)
10402-53-6

$$$$
Ethamsylate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,533)
1740

>  <Formula> (1,533)
C10H17NO5S

>  <MolWeight> (1,533)
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Ethamsylate

>  <Catalog Number> (1,533)
S4152

>  <Synonyms> (1,533)
N/A

>  <Target> (1,533)
Immunology & Inflammation related

>  <Form> (1,533)
Diethylamine

>  <URL> (1,533)
http://www.selleckchem.com/products/ethamsylate.html

>  <CAS Number> (1,533)
2624-44-4

$$$$
isovaleramide.cdx
csChFnd80/07171813082D

  7  6  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,534)
1742

>  <Formula> (1,534)
C5H11NO

>  <MolWeight> (1,534)
101.14694

>  <Item Name> (1,534)
Isovaleramide

>  <Catalog Number> (1,534)
S4116

>  <Synonyms> (1,534)
N/A

>  <Target> (1,534)
Dehydrogenase

>  <Form> (1,534)
Free Base

>  <URL> (1,534)
http://www.selleckchem.com/products/isovaleramide.html

>  <CAS Number> (1,534)
541-46-8

$$$$
Mezlocillin sodium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,535)
1743

>  <Formula> (1,535)
C21H24N5NaO8S2

>  <MolWeight> (1,535)
561.56373

>  <Item Name> (1,535)
Mezlocillin Sodium

>  <Catalog Number> (1,535)
S4179

>  <Synonyms> (1,535)
N/A

>  <Target> (1,535)
Antifection

>  <Form> (1,535)
Sodium Salt

>  <URL> (1,535)
http://www.selleckchem.com/products/mezlocillin-sodium.html

>  <CAS Number> (1,535)
42057-22-7

$$$$
nifuroxazide.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,536)
1744

>  <Formula> (1,536)
C12H9N3O5

>  <MolWeight> (1,536)
275.21696

>  <Item Name> (1,536)
Nifuroxazide

>  <Catalog Number> (1,536)
S4182

>  <Synonyms> (1,536)
N/A

>  <Target> (1,536)
STAT

>  <Form> (1,536)
Free Base

>  <URL> (1,536)
http://www.selleckchem.com/products/nifuroxazide.html

>  <CAS Number> (1,536)
965-52-6

$$$$
Penciclovir.cdx
csChFnd80/07171813082D

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>  <Formula> (1,537)
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>  <MolWeight> (1,537)
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>  <Item Name> (1,537)
Penciclovir

>  <Catalog Number> (1,537)
S4184

>  <Synonyms> (1,537)
N/A

>  <Target> (1,537)
Antifection

>  <Form> (1,537)
Free Base

>  <URL> (1,537)
http://www.selleckchem.com/products/penciclovir.html

>  <CAS Number> (1,537)
39809-25-1

$$$$
penfluridol.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,538)
1747

>  <Formula> (1,538)
C28H27ClF5NO

>  <MolWeight> (1,538)
523.965096

>  <Item Name> (1,538)
Penfluridol

>  <Catalog Number> (1,538)
S4151

>  <Synonyms> (1,538)
TLP-607

>  <Target> (1,538)
Dopamine Receptor

>  <Form> (1,538)
Free Base

>  <URL> (1,538)
http://www.selleckchem.com/products/penfluridol.html

>  <CAS Number> (1,538)
26864-56-2

$$$$
Salicylanilide.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,539)
1748

>  <Formula> (1,539)
C13H11NO2

>  <MolWeight> (1,539)
213.23194

>  <Item Name> (1,539)
Salicylanilide

>  <Catalog Number> (1,539)
S4187

>  <Synonyms> (1,539)
N/A

>  <Target> (1,539)
Reverse Transcriptase

>  <Form> (1,539)
Free Base

>  <URL> (1,539)
http://www.selleckchem.com/products/salicylanilide.html

>  <CAS Number> (1,539)
87-17-2

$$$$
Sasapyrine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,540)
1749

>  <Formula> (1,540)
C14H10O5

>  <MolWeight> (1,540)
258.2262

>  <Item Name> (1,540)
Sasapyrine

>  <Catalog Number> (1,540)
S4188

>  <Synonyms> (1,540)
N/A

>  <Target> (1,540)
COX

>  <Form> (1,540)
Free Base

>  <URL> (1,540)
http://www.selleckchem.com/products/sasapyrine.html

>  <CAS Number> (1,540)
552-94-3

$$$$
Sodium gluconate.cdx
csChFnd80/07171813082D

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    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,541)
1750

>  <Formula> (1,541)
C6H11NaO7

>  <MolWeight> (1,541)
218.13711

>  <Item Name> (1,541)
Sodium Gluconate

>  <Catalog Number> (1,541)
S4174

>  <Synonyms> (1,541)
N/A

>  <Target> (1,541)
Others

>  <Form> (1,541)
Sodium salt

>  <URL> (1,541)
http://www.selleckchem.com/products/sodium-gluconate.html

>  <CAS Number> (1,541)
527-07-1

$$$$
Sulfaguanidine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,542)
1753

>  <Formula> (1,542)
C7H10N4O2S

>  <MolWeight> (1,542)
214.2449

>  <Item Name> (1,542)
Sulfaguanidine

>  <Catalog Number> (1,542)
S4175

>  <Synonyms> (1,542)
N/A

>  <Target> (1,542)
Antifection

>  <Form> (1,542)
Free Base

>  <URL> (1,542)
http://www.selleckchem.com/products/sulfaguanidine.html

>  <CAS Number> (1,542)
57-67-0

$$$$
tiratricol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,543)
1754

>  <Formula> (1,543)
C14H9I3O4

>  <MolWeight> (1,543)
621.93227

>  <Item Name> (1,543)
Tiratricol

>  <Catalog Number> (1,543)
S4185

>  <Synonyms> (1,543)
N/A

>  <Target> (1,543)
Others

>  <Form> (1,543)
Free Base

>  <URL> (1,543)
http://www.selleckchem.com/products/tiratricol.html

>  <CAS Number> (1,543)
51-24-1

$$$$
triclabendazole.cdx
csChFnd80/07171813082D

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Triclabendazole

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S4114

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N/A

>  <Target> (1,544)
Microtubule Associated

>  <Form> (1,544)
Free Base

>  <URL> (1,544)
http://www.selleckchem.com/products/triclabendazole.html

>  <CAS Number> (1,544)
68786-66-3

$$$$
Trometamol.cdx
csChFnd80/07171813082D

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N/A

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COX

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Free Base

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

>  <CAS Number> (1,545)
77-86-1

$$$$
Uracil.cdx
csChFnd80/07171813082D

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N/A

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Free Base

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

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66-22-8

$$$$
BAM 7.cdx
csChFnd80/07171813082D

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>  <Formula> (1,547)
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BAX Activator Molecule 7

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Bcl-2

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Free Base

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http://www.selleckchem.com/products/bam7.html

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331244-89-4

$$$$
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$$$$
GZD824.cdx
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Wnt/beta-catenin

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1243243-89-1

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/07171813082D

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864814-88-0

$$$$
Aminothiazole.cdx
csChFnd80/07171813082D

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96-50-4

$$$$
Azaguanine-8.cdx
csChFnd80/07171813082D

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134-58-7

$$$$
Bemegride.cdx
csChFnd80/07171813082D

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Bergapten.cdx
csChFnd80/07171813082D

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484-20-8

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Broxyquinoline.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,565)
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1405-37-4

$$$$
Cepharanthine.cdx
csChFnd80/07171813082D

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TNF-alpha

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Free Base

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

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481-49-2

$$$$
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Deoxycorticosterone acetate

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N/A

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Adrenergic Receptor

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Free Base

>  <URL> (1,567)
http://www.selleckchem.com/products/deoxycorticosterone-acetate.html

>  <CAS Number> (1,567)
56-47-3

$$$$
dirithromycin.cdx
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>  <Synonyms> (1,568)
N/A

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>  <Form> (1,568)
Free Base

>  <URL> (1,568)
http://www.selleckchem.com/products/dirithromycin.html

>  <CAS Number> (1,568)
62013-04-1

$$$$
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M  END
>  <Mol_ID> (1,569)
1781

>  <Formula> (1,569)
C22H40BrNO

>  <MolWeight> (1,569)
414.4631

>  <Item Name> (1,569)
Domiphen Bromide

>  <Catalog Number> (1,569)
S4186

>  <Synonyms> (1,569)
N/A

>  <Target> (1,569)
Others

>  <Form> (1,569)
Free Base

>  <URL> (1,569)
http://www.selleckchem.com/products/domiphen-bromide.html

>  <CAS Number> (1,569)
538-71-6

$$$$
Doxylamine succinate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,570)
1782

>  <Formula> (1,570)
C21H28N2O5

>  <MolWeight> (1,570)
388.45742

>  <Item Name> (1,570)
Doxylamine Succinate

>  <Catalog Number> (1,570)
S4240

>  <Synonyms> (1,570)
N/A

>  <Target> (1,570)
Histamine Receptor

>  <Form> (1,570)
Succinate

>  <URL> (1,570)
http://www.selleckchem.com/products/doxylamine-succinate.html

>  <CAS Number> (1,570)
562-10-7

$$$$
D-Phenylalanine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,571)
1783

>  <Formula> (1,571)
C9H11NO2

>  <MolWeight> (1,571)
165.18914

>  <Item Name> (1,571)
D-Phenylalanine

>  <Catalog Number> (1,571)
S4153

>  <Synonyms> (1,571)
N/A

>  <Target> (1,571)
Others

>  <Form> (1,571)
Free Base

>  <URL> (1,571)
http://www.selleckchem.com/products/d-phenylalanine.html

>  <CAS Number> (1,571)
673-06-3

$$$$
Ethacridine lactate monohydrate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,572)
1784

>  <Formula> (1,572)
C18H23N3O5

>  <MolWeight> (1,572)
361.39232

>  <Item Name> (1,572)
Ethacridine lactate monohydrate

>  <Catalog Number> (1,572)
S4196

>  <Synonyms> (1,572)
N/A

>  <Target> (1,572)
Antifection

>  <Form> (1,572)
Lactate

>  <URL> (1,572)
http://www.selleckchem.com/products/ethacridine-lactate-monohydrate.html

>  <CAS Number> (1,572)
6402-23-9

$$$$
Florfenicol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,573)
1785

>  <Formula> (1,573)
C12H14Cl2FNO4S

>  <MolWeight> (1,573)
358.2132632

>  <Item Name> (1,573)
Florfenicol

>  <Catalog Number> (1,573)
S4201

>  <Synonyms> (1,573)
N/A

>  <Target> (1,573)
Antifection

>  <Form> (1,573)
Free Base

>  <URL> (1,573)
http://www.selleckchem.com/products/florfenicol.html

>  <CAS Number> (1,573)
73231-34-2

$$$$
Furaltadone HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,574)
1786

>  <Formula> (1,574)
C13H17ClN4O6

>  <MolWeight> (1,574)
360.75028

>  <Item Name> (1,574)
Furaltadone HCl

>  <Catalog Number> (1,574)
S4203

>  <Synonyms> (1,574)
N/A

>  <Target> (1,574)
Antifection

>  <Form> (1,574)
Hydrochloride

>  <URL> (1,574)
http://www.selleckchem.com/products/furaltadone-hcl.html

>  <CAS Number> (1,574)
3759-92-0

$$$$
Nefopam HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,575)
1787

>  <Formula> (1,575)
C17H20ClNO

>  <MolWeight> (1,575)
289.7998

>  <Item Name> (1,575)
Nefopam HCl

>  <Catalog Number> (1,575)
S4180

>  <Synonyms> (1,575)
N/A

>  <Target> (1,575)
Others

>  <Form> (1,575)
Hydrochloride

>  <URL> (1,575)
http://www.selleckchem.com/products/nefopam-hcl.html

>  <CAS Number> (1,575)
23327-57-3

$$$$
Nicardipine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,576)
1788

>  <Formula> (1,576)
C26H30ClN3O6

>  <MolWeight> (1,576)
515.9859

>  <Item Name> (1,576)
Nicardipine HCl

>  <Catalog Number> (1,576)
S4181

>  <Synonyms> (1,576)
N/A

>  <Target> (1,576)
Calcium Channel

>  <Form> (1,576)
Hydrochloride

>  <URL> (1,576)
http://www.selleckchem.com/products/nicardipine-hcl.html

>  <CAS Number> (1,576)
54527-84-3

$$$$
NLG-919.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,577)
1789

>  <Formula> (1,577)
C18H22N2O

>  <MolWeight> (1,577)
282.38008

>  <Item Name> (1,577)
NLG919

>  <Catalog Number> (1,577)
S7111

>  <Synonyms> (1,577)
N/A

>  <Target> (1,577)
IDO

>  <Form> (1,577)
Free Base

>  <URL> (1,577)
http://www.selleckchem.com/products/nlg919.html

>  <CAS Number> (1,577)
1402836-58-1

$$$$
Paromomycin Sulfate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,578)
1790

>  <Formula> (1,578)
C23H47N5O18S

>  <MolWeight> (1,578)
713.70698

>  <Item Name> (1,578)
Paromomycin Sulfate

>  <Catalog Number> (1,578)
S4183

>  <Synonyms> (1,578)
N/A

>  <Target> (1,578)
Antifection

>  <Form> (1,578)
Sulfate

>  <URL> (1,578)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (1,578)
1263-89-4

$$$$
Phenazopyridine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,579)
1791

>  <Formula> (1,579)
C11H12ClN5

>  <MolWeight> (1,579)
249.69948

>  <Item Name> (1,579)
Phenazopyridine HCl

>  <Catalog Number> (1,579)
S4235

>  <Synonyms> (1,579)
N/A

>  <Target> (1,579)
Sodium Channel

>  <Form> (1,579)
Hydrochloride

>  <URL> (1,579)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (1,579)
136-40-3

$$$$

csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,580)
1792

>  <Formula> (1,580)
C26H24N6O4S

>  <MolWeight> (1,580)
516.57156

>  <Item Name> (1,580)
Proflavine Hemisulfate

>  <Catalog Number> (1,580)
S4236

>  <Synonyms> (1,580)
N/A

>  <Target> (1,580)
Antifection

>  <Form> (1,580)
Sulfate

>  <URL> (1,580)
http://www.selleckchem.com/products/proflavine-hemisulfate.html

>  <CAS Number> (1,580)
1811-28-5

$$$$
Serotonin hydrochloride.cdx
csChFnd80/07171813082D

 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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M  END
>  <Mol_ID> (1,581)
1793

>  <Formula> (1,581)
C10H13ClN2O

>  <MolWeight> (1,581)
212.67602

>  <Item Name> (1,581)
Serotonin HCl

>  <Catalog Number> (1,581)
S4244

>  <Synonyms> (1,581)
N/A

>  <Target> (1,581)
5-HT Receptor

>  <Form> (1,581)
Hydrochloride

>  <URL> (1,581)
http://www.selleckchem.com/products/serotonin-hcl.html

>  <CAS Number> (1,581)
153-98-0

$$$$
Sodium ascorbate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,582)
1794

>  <Formula> (1,582)
C6H10NaO6

>  <MolWeight> (1,582)
201.12977

>  <Item Name> (1,582)
Sodium ascorbate

>  <Catalog Number> (1,582)
S4245

>  <Synonyms> (1,582)
N/A

>  <Target> (1,582)
Vitamin

>  <Form> (1,582)
Sodium Salt

>  <URL> (1,582)
http://www.selleckchem.com/products/sodium-ascorbate.html

>  <CAS Number> (1,582)
134-03-2

$$$$
sucralose.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,583)
1795

>  <Formula> (1,583)
C12H19Cl3O8

>  <MolWeight> (1,583)
397.63346

>  <Item Name> (1,583)
Sucralose

>  <Catalog Number> (1,583)
S4214

>  <Synonyms> (1,583)
N/A

>  <Target> (1,583)
Others

>  <Form> (1,583)
Free Base

>  <URL> (1,583)
http://www.selleckchem.com/products/sucralose.html

>  <CAS Number> (1,583)
56038-13-2

$$$$
teriflunomide.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,584)
1796

>  <Formula> (1,584)
C12H9F3N2O2

>  <MolWeight> (1,584)
270.2072696

>  <Item Name> (1,584)
Teriflunomide

>  <Catalog Number> (1,584)
S4169

>  <Synonyms> (1,584)
N/A

>  <Target> (1,584)
Dehydrogenase,Immunology & Inflammation

>  <Form> (1,584)
Free Base

>  <URL> (1,584)
http://www.selleckchem.com/products/teriflunomide.html

>  <CAS Number> (1,584)
108605-62-5

$$$$
Valnemulin HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,585)
1797

>  <Formula> (1,585)
C31H53ClN2O5S

>  <MolWeight> (1,585)
601.28092

>  <Item Name> (1,585)
Valnemulin HCl

>  <Catalog Number> (1,585)
S4216

>  <Synonyms> (1,585)
N/A

>  <Target> (1,585)
Antifection

>  <Form> (1,585)
Hydrochloride

>  <URL> (1,585)
http://www.selleckchem.com/products/valnemulin-hcl.html

>  <CAS Number> (1,585)
133868-46-9

$$$$
b-AP15.cdx
csChFnd80/07171813082D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,586)
1799

>  <Formula> (1,586)
C22H17N3O6

>  <MolWeight> (1,586)
419.38688

>  <Item Name> (1,586)
b-AP15

>  <Catalog Number> (1,586)
S4920

>  <Synonyms> (1,586)
N/A

>  <Target> (1,586)
DUB

>  <Form> (1,586)
Free Base

>  <URL> (1,586)
http://www.selleckchem.com/products/b-ap15.html

>  <CAS Number> (1,586)
1009817-63-3

$$$$
Bismuth subcitrate potassium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,587)
1800

>  <Formula> (1,587)
C12H10BiK5O14+2

>  <MolWeight> (1,587)
782.67128

>  <Item Name> (1,587)
Bismuth Subcitrate Potassium

>  <Catalog Number> (1,587)
S4093

>  <Synonyms> (1,587)
N/A

>  <Target> (1,587)
Antifection

>  <Form> (1,587)
Potassium salt

>  <URL> (1,587)
http://www.selleckchem.com/products/bismuth-subcitrate-potassium.html

>  <CAS Number> (1,587)
880149-29-1

$$$$
cetrimonium bromide.cdx
csChFnd80/07171813082D

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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
  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
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 16 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
M  END
>  <Mol_ID> (1,588)
1802

>  <Formula> (1,588)
C19H42BrN

>  <MolWeight> (1,588)
364.44748

>  <Item Name> (1,588)
Cetrimonium Bromide

>  <Catalog Number> (1,588)
S4242

>  <Synonyms> (1,588)
N/A

>  <Target> (1,588)
Antifection

>  <Form> (1,588)
Free Base

>  <URL> (1,588)
http://www.selleckchem.com/products/cetrimonium-bromide.html

>  <CAS Number> (1,588)
57-09-0

$$$$
Clodronate disodium.cdx
csChFnd80/07171813082D

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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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    5.5937    3.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  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> (1,589)
1803

>  <Formula> (1,589)
CH2Cl2Na2O6P2

>  <MolWeight> (1,589)
288.856042

>  <Item Name> (1,589)
Clodronate Disodium

>  <Catalog Number> (1,589)
S4108

>  <Synonyms> (1,589)
N/A

>  <Target> (1,589)
Others

>  <Form> (1,589)
Disodium salt

>  <URL> (1,589)
http://www.selleckchem.com/products/clodronate-disodium.html

>  <CAS Number> (1,589)
22560-50-5, 10596-23-3(free base)

$$$$
Colistin sulfate.cdx
csChFnd80/07171813082D

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177355-84-9

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23674-86-4

$$$$
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M  END
>  <Mol_ID> (1,593)
1807

>  <Formula> (1,593)
C22H29N9O6

>  <MolWeight> (1,593)
515.52236

>  <Item Name> (1,593)
Diminazene Aceturate

>  <Catalog Number> (1,593)
S4104

>  <Synonyms> (1,593)
N/A

>  <Target> (1,593)
Others

>  <Form> (1,593)
Aceturate

>  <URL> (1,593)
http://www.selleckchem.com/products/diminazene-aceturate.html

>  <CAS Number> (1,593)
908-54-3

$$$$
Droperidol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,594)
1808

>  <Formula> (1,594)
C22H22FN3O2

>  <MolWeight> (1,594)
379.4273832

>  <Item Name> (1,594)
Droperidol

>  <Catalog Number> (1,594)
S4096

>  <Synonyms> (1,594)
N/A

>  <Target> (1,594)
Dopamine Receptor

>  <Form> (1,594)
Free Base

>  <URL> (1,594)
http://www.selleckchem.com/products/droperidol.html

>  <CAS Number> (1,594)
548-73-2

$$$$
Eprosartan mesylate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,595)
1810

>  <Formula> (1,595)
C24H28N2O7S2

>  <MolWeight> (1,595)
520.61832

>  <Item Name> (1,595)
Eprosartan Mesylate

>  <Catalog Number> (1,595)
S4102

>  <Synonyms> (1,595)
N/A

>  <Target> (1,595)
RAAS

>  <Form> (1,595)
Mesylate

>  <URL> (1,595)
http://www.selleckchem.com/products/eprosartan-mesylate.html

>  <CAS Number> (1,595)
144143-96-4 

$$$$
Esmolol hydrochloride.cdx
csChFnd80/07171813082D

 22 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,596)
1811

>  <Formula> (1,596)
C16H26ClNO4

>  <MolWeight> (1,596)
331.83494

>  <Item Name> (1,596)
Esmolol HCl

>  <Catalog Number> (1,596)
S4100

>  <Synonyms> (1,596)
N/A

>  <Target> (1,596)
Adrenergic Receptor

>  <Form> (1,596)
Hydrochloride

>  <URL> (1,596)
http://www.selleckchem.com/products/esmolol-hcl.html

>  <CAS Number> (1,596)
81161-17-3, 81147-92-4(free base)

$$$$
Fenspiride hydrochloride.cdx
csChFnd80/07171813082D

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C15H21ClN2O2

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Fenspiride HCl 
Fenspiride HCl

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S4090

>  <Synonyms> (1,597)
N/A

>  <Target> (1,597)
Phospholipase (e.g. PLA)

>  <Form> (1,597)
Hydrochloride

>  <URL> (1,597)
http://www.selleckchem.com/products/Fenspiride-hcl.html

>  <CAS Number> (1,597)
5053-08-7, 5053-06-5(free base)

$$$$
flumethasone.cdx
csChFnd80/07171813082D

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>  <Formula> (1,598)
C22H28F2O5

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Flumethasone

>  <Catalog Number> (1,598)
S4088

>  <Synonyms> (1,598)
N/A

>  <Target> (1,598)
Glucocorticoid Receptor

>  <Form> (1,598)
Free Base

>  <URL> (1,598)
http://www.selleckchem.com/products/flumethasone.html

>  <CAS Number> (1,598)
2135-17-3

$$$$
GDC-0152.cdx
csChFnd80/07171813082D

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C25H34N6O3S

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GDC-0152

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S7010

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N/A

>  <Target> (1,599)
IAP

>  <Form> (1,599)
Free Base

>  <URL> (1,599)
http://www.selleckchem.com/products/gdc-0152.html

>  <CAS Number> (1,599)
873652-48-3

$$$$
Halcinonide.cdx
csChFnd80/07171813082D

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1815

>  <Formula> (1,600)
C24H32ClFO5

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Halcinonide

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>  <Synonyms> (1,600)
N/A

>  <Target> (1,600)
Immunology & Inflammation related

>  <Form> (1,600)
Free Base

>  <URL> (1,600)
http://www.selleckchem.com/products/halcinonide.html

>  <CAS Number> (1,600)
3093-35-4

$$$$
halobetasol propionate .cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,601)
1816

>  <Formula> (1,601)
C25H31ClF2O5

>  <MolWeight> (1,601)
484.9604464

>  <Item Name> (1,601)
Halobetasol Propionate

>  <Catalog Number> (1,601)
S4089

>  <Synonyms> (1,601)
N/A

>  <Target> (1,601)
Phospholipase (e.g. PLA)

>  <Form> (1,601)
Free Base

>  <URL> (1,601)
http://www.selleckchem.com/products/halobetasol-propionate.html

>  <CAS Number> (1,601)
66852-54-8

$$$$
ifenprodil tartrate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,602)
1817

>  <Formula> (1,602)
C46H60N2O10

>  <MolWeight> (1,602)
800.976

>  <Item Name> (1,602)
Ifenprodil Tartrate

>  <Catalog Number> (1,602)
S4091

>  <Synonyms> (1,602)
N/A

>  <Target> (1,602)
NMDAR

>  <Form> (1,602)
Tartrate

>  <URL> (1,602)
http://www.selleckchem.com/products/ifenprodil-tartrate.html

>  <CAS Number> (1,602)
23210-58-4

$$$$
levobetaxolol hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,603)
1820

>  <Formula> (1,603)
C18H30ClNO3

>  <MolWeight> (1,603)
343.8887

>  <Item Name> (1,603)
Levobetaxolol HCl

>  <Catalog Number> (1,603)
S4085

>  <Synonyms> (1,603)
N/A

>  <Target> (1,603)
Adrenergic Receptor

>  <Form> (1,603)
Hydrochloride

>  <URL> (1,603)
http://www.selleckchem.com/products/levobetaxolol-hcl.html

>  <CAS Number> (1,603)
116209-55-3, 93221-48-8(free base)

$$$$
lomerizine hydrochloride.cdx
csChFnd80/07171813082D

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>  <Formula> (1,604)
C27H32Cl2F2N2O3

>  <MolWeight> (1,604)
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>  <Item Name> (1,604)
Lomerizine 2HCl

>  <Catalog Number> (1,604)
S4084

>  <Synonyms> (1,604)
N/A

>  <Target> (1,604)
Calcium Channel

>  <Form> (1,604)
Dihydrochloride

>  <URL> (1,604)
http://www.selleckchem.com/products/lomerizine-hcl.html

>  <CAS Number> (1,604)
101477-54-7, 101477-55-8(free base)

$$$$
loxapine succinate.cdx
csChFnd80/07171813082D

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>  <Formula> (1,605)
C22H24ClN3O5

>  <MolWeight> (1,605)
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>  <Item Name> (1,605)
Loxapine Succinate

>  <Catalog Number> (1,605)
S4086

>  <Synonyms> (1,605)
N/A

>  <Target> (1,605)
5-HT Receptor,Dopamine Receptor

>  <Form> (1,605)
Succinate

>  <URL> (1,605)
http://www.selleckchem.com/products/loxapine-succinate.html

>  <CAS Number> (1,605)
27833-64-3

$$$$
MDBN.cdx
csChFnd80/07171813082D

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1823

>  <Formula> (1,606)
C9H7NO4

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193.15618

>  <Item Name> (1,606)
MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

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S4921

>  <Synonyms> (1,606)
N/A

>  <Target> (1,606)
Tyrosinase,p97,Syk,Src

>  <Form> (1,606)
Free Base

>  <URL> (1,606)
http://www.selleckchem.com/products/mdbn.html

>  <CAS Number> (1,606)
1485-00-3

$$$$
MLN-4924.cdx
csChFnd80/07171813082D

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1824

>  <Formula> (1,607)
C21H25N5O4S

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>  <Item Name> (1,607)
Pevonedistat (MLN4924)

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>  <Synonyms> (1,607)
N/A

>  <Target> (1,607)
E1 Activating

>  <Form> (1,607)
Free Base

>  <URL> (1,607)
http://www.selleckchem.com/products/mln-4924.html

>  <CAS Number> (1,607)
905579-51-3

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E-64.cdx
csChFnd80/07171813082D

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>  <Item Name> (1,608)
E-64

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>  <Synonyms> (1,608)
N/A

>  <Target> (1,608)
Cysteine Protease

>  <Form> (1,608)
Free Base

>  <URL> (1,608)
http://www.selleckchem.com/products/e-64.html

>  <CAS Number> (1,608)
66701-25-5

$$$$
Pramoxine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,609)
1829

>  <Formula> (1,609)
C17H28ClNO3

>  <MolWeight> (1,609)
329.86212

>  <Item Name> (1,609)
Pramoxine HCl

>  <Catalog Number> (1,609)
S4092

>  <Synonyms> (1,609)
N/A

>  <Target> (1,609)
Others

>  <Form> (1,609)
Hydrochloride

>  <URL> (1,609)
http://www.selleckchem.com/products/pramoxine-hcl.html

>  <CAS Number> (1,609)
637-58-1

$$$$
PYR 41.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,610)
1830

>  <Formula> (1,610)
C17H13N3O7

>  <MolWeight> (1,610)
371.30102

>  <Item Name> (1,610)
PYR-41

>  <Catalog Number> (1,610)
S7129

>  <Synonyms> (1,610)
N/A

>  <Target> (1,610)
E1 Activating

>  <Form> (1,610)
Free Base

>  <URL> (1,610)
http://www.selleckchem.com/products/pyr-41.html

>  <CAS Number> (1,610)
418805-02-4

$$$$
Ribostamycin Sulfate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,611)
1831

>  <Formula> (1,611)
C17H36N4O14S

>  <MolWeight> (1,611)
552.55114

>  <Item Name> (1,611)
Ribostamycin Sulfate

>  <Catalog Number> (1,611)
S4215

>  <Synonyms> (1,611)
N/A

>  <Target> (1,611)
Antifection

>  <Form> (1,611)
Sulfate

>  <URL> (1,611)
http://www.selleckchem.com/products/ribostamycin-sulfate.html

>  <CAS Number> (1,611)
53797-35-6

$$$$
spiramycin.cdx
csChFnd80/07171813082D

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,612)
1834

>  <Formula> (1,612)
C43H74N2O14

>  <MolWeight> (1,612)
843.05266

>  <Item Name> (1,612)
Spiramycin

>  <Catalog Number> (1,612)
S4082

>  <Synonyms> (1,612)
N/A

>  <Target> (1,612)
Antifection

>  <Form> (1,612)
Free Base

>  <URL> (1,612)
http://www.selleckchem.com/products/spiramycin.html

>  <CAS Number> (1,612)
8025-81-8

$$$$
tetramisole hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,613)
1836

>  <Formula> (1,613)
C11H13ClN2S

>  <MolWeight> (1,613)
240.75232

>  <Item Name> (1,613)
Tetramisole HCl

>  <Catalog Number> (1,613)
S4094

>  <Synonyms> (1,613)
N/A

>  <Target> (1,613)
Antifection

>  <Form> (1,613)
Hydrochloride

>  <URL> (1,613)
http://www.selleckchem.com/products/tetramisole-hcl.html

>  <CAS Number> (1,613)
5086-74-8, 5036-02-2(free base)

$$$$
Vitamin A acetate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,614)
1837

>  <Formula> (1,614)
C22H32O2

>  <MolWeight> (1,614)
328.48828

>  <Item Name> (1,614)
Vitamin A Acetate

>  <Catalog Number> (1,614)
S4083

>  <Synonyms> (1,614)
N/A

>  <Target> (1,614)
Others

>  <Form> (1,614)
Free Base

>  <URL> (1,614)
http://www.selleckchem.com/products/vitamin-a-acetate.html

>  <CAS Number> (1,614)
127-47-9

$$$$
Vitamin A palmitate.cdx
csChFnd80/07171813082D

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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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M  END
>  <Mol_ID> (1,615)
1838

>  <Formula> (1,615)
C36H60O2

>  <MolWeight> (1,615)
524.8604

>  <Item Name> (1,615)
Vitamin A Palmitate

>  <Catalog Number> (1,615)
S4126

>  <Synonyms> (1,615)
N/A

>  <Target> (1,615)
Others

>  <Form> (1,615)
Free Base

>  <URL> (1,615)
http://www.selleckchem.com/products/vitamin-a-palmitate.html

>  <CAS Number> (1,615)
79-81-2 

$$$$
Voglibose.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,616)
1839

>  <Formula> (1,616)
C10H21NO7

>  <MolWeight> (1,616)
267.27624

>  <Item Name> (1,616)
Voglibose

>  <Catalog Number> (1,616)
S4101

>  <Synonyms> (1,616)
N/A

>  <Target> (1,616)
Others

>  <Form> (1,616)
Free Base

>  <URL> (1,616)
http://www.selleckchem.com/products/voglibose.html

>  <CAS Number> (1,616)
83480-29-9

$$$$
Bromosporine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,617)
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>  <Formula> (1,617)
C17H20N6O4S

>  <MolWeight> (1,617)
404.4435

>  <Item Name> (1,617)
Bromosporine

>  <Catalog Number> (1,617)
S7233

>  <Synonyms> (1,617)
N/A

>  <Target> (1,617)
Epigenetic Reader Domain

>  <Form> (1,617)
Free Base

>  <URL> (1,617)
http://www.selleckchem.com/products/bromosporine.html

$$$$
14028-44-5.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,618)
1841

>  <Formula> (1,618)
C17H16ClN3O

>  <MolWeight> (1,618)
313.78144

>  <Item Name> (1,618)
Amoxapine

>  <Catalog Number> (1,618)
S4218

>  <Synonyms> (1,618)
N/A

>  <Target> (1,618)
GlyT

>  <Form> (1,618)
Free Base

>  <URL> (1,618)
http://www.selleckchem.com/products/amoxapine.html

>  <CAS Number> (1,618)
14028-44-5

$$$$
Azaperone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,619)
1842

>  <Formula> (1,619)
C19H22FN3O

>  <MolWeight> (1,619)
327.3958832

>  <Item Name> (1,619)
Azaperone

>  <Catalog Number> (1,619)
S4219

>  <Synonyms> (1,619)
N/A

>  <Target> (1,619)
Dopamine Receptor

>  <Form> (1,619)
Free Base

>  <URL> (1,619)
http://www.selleckchem.com/products/azaperone.html

>  <CAS Number> (1,619)
1649-18-9

$$$$
Benzbromarone .cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,620)
1843

>  <Formula> (1,620)
C17H12Br2O3

>  <MolWeight> (1,620)
424.08338

>  <Item Name> (1,620)
Benzbromarone

>  <Catalog Number> (1,620)
S4221

>  <Synonyms> (1,620)
N/A

>  <Target> (1,620)
P450 (e.g. CYP17)

>  <Form> (1,620)
Free Base

>  <URL> (1,620)
http://www.selleckchem.com/products/benzbromarone.html

>  <CAS Number> (1,620)
3562-84-3

$$$$
Benzethonium chloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,621)
1844

>  <Formula> (1,621)
C27H42ClNO2

>  <MolWeight> (1,621)
448.08088

>  <Item Name> (1,621)
Benzethonium chloride

>  <Catalog Number> (1,621)
S4162

>  <Synonyms> (1,621)
N/A

>  <Target> (1,621)
AChR

>  <Form> (1,621)
Chloride

>  <URL> (1,621)
http://www.selleckchem.com/products/benzethonium-chloride.html

>  <CAS Number> (1,621)
121-54-0

$$$$
Benzoic acid .cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,622)
1846

>  <Formula> (1,622)
C7H6O2

>  <MolWeight> (1,622)
122.12134

>  <Item Name> (1,622)
Benzoic acid

>  <Catalog Number> (1,622)
S4161

>  <Synonyms> (1,622)
N/A

>  <Target> (1,622)
Others

>  <Form> (1,622)
Free Base

>  <URL> (1,622)
http://www.selleckchem.com/products/benzoic-acid.html

>  <CAS Number> (1,622)
65-85-0 

$$$$
Benzylpenicillin sodium.cdx
csChFnd80/07171813082D

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C16H17N2NaO4S

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>  <Item Name> (1,623)
Penicillin G Sodium

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S4160

>  <Synonyms> (1,623)
N/A

>  <Target> (1,623)
Antifection

>  <Form> (1,623)
Sodium Salt

>  <URL> (1,623)
http://www.selleckchem.com/products/benzylpenicillin-sodium.html

>  <CAS Number> (1,623)
69-57-8

$$$$
Bezafibrate .cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,624)
1848

>  <Formula> (1,624)
C19H20ClNO4

>  <MolWeight> (1,624)
361.8194

>  <Item Name> (1,624)
Bezafibrate

>  <Catalog Number> (1,624)
S4159

>  <Synonyms> (1,624)
N/A

>  <Target> (1,624)
PPAR

>  <Form> (1,624)
Free Base

>  <URL> (1,624)
http://www.selleckchem.com/products/bezafibrate.html

>  <CAS Number> (1,624)
41859-67-0

$$$$
chlorocresol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,625)
1849

>  <Formula> (1,625)
C7H7ClO

>  <MolWeight> (1,625)
142.58288

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Chlorocresol

>  <Catalog Number> (1,625)
S4209

>  <Synonyms> (1,625)
N/A

>  <Target> (1,625)
Calcium Channel

>  <Form> (1,625)
Free Base

>  <URL> (1,625)
http://www.selleckchem.com/products/chlorocresol.html

>  <CAS Number> (1,625)
59-50-7

$$$$
Chromocarb.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,626)
1850

>  <Formula> (1,626)
C10H6O4

>  <MolWeight> (1,626)
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>  <Item Name> (1,626)
Chromocarb

>  <Catalog Number> (1,626)
S4208

>  <Synonyms> (1,626)
N/A

>  <Target> (1,626)
Others

>  <Form> (1,626)
Free Base

>  <URL> (1,626)
http://www.selleckchem.com/products/chromocarb.html

>  <CAS Number> (1,626)
4940-39-0

$$$$
Clofibric acid.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,627)
1851

>  <Formula> (1,627)
C10H11ClO3

>  <MolWeight> (1,627)
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>  <Item Name> (1,627)
Clofibric acid

>  <Catalog Number> (1,627)
S4207

>  <Synonyms> (1,627)
N/A

>  <Target> (1,627)
PPAR

>  <Form> (1,627)
Free Base

>  <URL> (1,627)
http://www.selleckchem.com/products/clofibric-acid.html

>  <CAS Number> (1,627)
882-09-7

$$$$
Cysteamine HCl.cdx
csChFnd80/07171813082D

  5  3  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,628)
1852

>  <Formula> (1,628)
C2H8ClNS

>  <MolWeight> (1,628)
113.60962

>  <Item Name> (1,628)
Cysteamine HCl

>  <Catalog Number> (1,628)
S4206

>  <Synonyms> (1,628)
N/A

>  <Target> (1,628)
Others

>  <Form> (1,628)
Hydrochloride

>  <URL> (1,628)
http://www.selleckchem.com/products/cysteamine-hcl.html

>  <CAS Number> (1,628)
156-57-0

$$$$
Dibenzothiophene.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,629)
1853

>  <Formula> (1,629)
C12H8S

>  <MolWeight> (1,629)
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>  <Item Name> (1,629)
Dibenzothiophene

>  <Catalog Number> (1,629)
S4205

>  <Synonyms> (1,629)
N/A

>  <Target> (1,629)
Others

>  <Form> (1,629)
Free Base

>  <URL> (1,629)
http://www.selleckchem.com/products/dibenzothiophene.html

>  <CAS Number> (1,629)
132-65-0

$$$$
Erythritol.cdx
csChFnd80/07171813082D

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>  <Synonyms> (1,630)
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>  <Target> (1,630)
Others

>  <Form> (1,630)
Free Base

>  <URL> (1,630)
http://www.selleckchem.com/products/erythritol.html

>  <CAS Number> (1,630)
149-32-6

$$$$
fidaxomicin.cdx
csChFnd80/07171813082D

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M  END
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>  <Formula> (1,631)
C52H74Cl2O18

>  <MolWeight> (1,631)
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>  <Item Name> (1,631)
Fidaxomicin

>  <Catalog Number> (1,631)
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>  <Synonyms> (1,631)
N/A

>  <Target> (1,631)
DNA/RNA Synthes

>  <Form> (1,631)
Free Base

>  <URL> (1,631)
http://www.selleckchem.com/products/fidaxomicin.html

>  <CAS Number> (1,631)
873857-62-6

$$$$
Fluorometholone Acetate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,632)
1856

>  <Formula> (1,632)
C24H31FO5

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>  <Item Name> (1,632)
Fluorometholone Acetate

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>  <Synonyms> (1,632)
N/A

>  <Target> (1,632)
Glucocorticoid Receptor

>  <Form> (1,632)
Free Base

>  <URL> (1,632)
http://www.selleckchem.com/products/fluorometholone-acetate.html

>  <CAS Number> (1,632)
3801-06-7

$$$$
Isosorbide.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,633)
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>  <Formula> (1,633)
C6H10O4

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Isosorbide

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N/A

>  <Target> (1,633)
Others

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Free Base

>  <URL> (1,633)
http://www.selleckchem.com/products/isosorbide.html

>  <CAS Number> (1,633)
652-67-5 

$$$$
Liothyronine Sodium.cdx
csChFnd80/07171813082D

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   10.9217    3.5012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.1347    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9217    2.0972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3475    3.5012    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  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
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 11 14  1  0  0  0  0
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 14 16  2  0  0  0  0
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 18 20  1  0  0  0  0
 18 21  1  1  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,634)
1858

>  <Formula> (1,634)
C15H11I3NNaO4

>  <MolWeight> (1,634)
672.95532

>  <Item Name> (1,634)
Liothyronine Sodium

>  <Catalog Number> (1,634)
S4217

>  <Synonyms> (1,634)
N/A

>  <Target> (1,634)
Others

>  <Form> (1,634)
Free Base

>  <URL> (1,634)
http://www.selleckchem.com/products/liothyronine-sodium.html

>  <CAS Number> (1,634)
55-06-1

$$$$
mevastatin.cdx
csChFnd80/07171813082D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  6  0  0  0
  7  4  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  1  0  0  0
 18  8  1  0  0  0  0
 11 10  1  0  0  0  0
 13 10  1  0  0  0  0
 15 10  1  0  0  0  0
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 26 22  1  0  0  0  0
 22 27  1  1  0  0  0
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M  END
>  <Mol_ID> (1,635)
1859

>  <Formula> (1,635)
C23H34O5

>  <MolWeight> (1,635)
390.51306

>  <Item Name> (1,635)
Mevastatin

>  <Catalog Number> (1,635)
S4223

>  <Synonyms> (1,635)
N/A

>  <Target> (1,635)
HMG-CoA Reductase

>  <Form> (1,635)
Free Base

>  <URL> (1,635)
http://www.selleckchem.com/products/mevastatin.html

>  <CAS Number> (1,635)
73573-88-3

$$$$
Mexiletine Hydrochloride.cdx
csChFnd80/07171813082D

 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
    1.1839    2.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411    0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635    2.7534    0.0000 O   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
    7.2848    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855    4.0491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3402    3.8641    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
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  5 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,636)
1860

>  <Formula> (1,636)
C11H18ClNO

>  <MolWeight> (1,636)
215.71972

>  <Item Name> (1,636)
Mexiletine HCl

>  <Catalog Number> (1,636)
S4225

>  <Synonyms> (1,636)
N/A

>  <Target> (1,636)
Sodium Channel

>  <Form> (1,636)
Hydrochloride

>  <URL> (1,636)
http://www.selleckchem.com/products/mexiletine-hcl.html

>  <CAS Number> (1,636)
5370-01-4

$$$$
Minocycline hydrochloride.cdx
csChFnd80/07171813082D

 36 38  0  0  0  0  0  0  0  0999 V2000
    7.2501    3.4849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2501    2.1074    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4778    4.1760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0757    4.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0370    1.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4778    1.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.6959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6958    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4924    5.5778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    3.4946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6347    1.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8995    1.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 31  1  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,637)
1861

>  <Formula> (1,637)
C23H28ClN3O7

>  <MolWeight> (1,637)
493.93732

>  <Item Name> (1,637)
Minocycline HCl

>  <Catalog Number> (1,637)
S4226

>  <Synonyms> (1,637)
N/A

>  <Target> (1,637)
Antifectio

>  <Form> (1,637)
Hydrochloride

>  <URL> (1,637)
http://www.selleckchem.com/products/minocycline-hcl.html

>  <CAS Number> (1,637)
13614-98-7

$$$$
Montelukast sodium.cdx
csChFnd80/07171813082D

 42 45  0  0  0  0  0  0  0  0999 V2000
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C35H35ClNNaO3S

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Montelukast Sodium

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S4211

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N/A

>  <Target> (1,638)
LTR

>  <Form> (1,638)
Sodium Salt

>  <URL> (1,638)
http://www.selleckchem.com/products/montelukast-sodium.html

>  <CAS Number> (1,638)
151767-02-1

$$$$
Nithiamide.cdx
csChFnd80/07171813082D

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Nithiamide

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S4232

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N/A

>  <Target> (1,639)
Antifection

>  <Form> (1,639)
Free Base

>  <URL> (1,639)
http://www.selleckchem.com/products/nithiamide.html

>  <CAS Number> (1,639)
140-40-9

$$$$
NSC 405020.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,640)
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NSC 405020

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S8072

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STK029746

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MMP

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Free Base

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http://www.selleckchem.com/products/nsc-405020.html

>  <CAS Number> (1,640)
7497-07-6

$$$$
Oxaprozin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,641)
1865

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C18H15NO3

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Oxaprozin

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S4230

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N/A

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COX

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Free Base

>  <URL> (1,641)
http://www.selleckchem.com/products/oxaprozin.html

>  <CAS Number> (1,641)
21256-18-8

$$$$
Oxybuprocaine HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,642)
1866

>  <Formula> (1,642)
C17H29ClN2O3

>  <MolWeight> (1,642)
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>  <Item Name> (1,642)
Oxybuprocaine HCl

>  <Catalog Number> (1,642)
S4229

>  <Synonyms> (1,642)
N/A

>  <Target> (1,642)
Sodium Channel

>  <Form> (1,642)
Hydrochloride

>  <URL> (1,642)
http://www.selleckchem.com/products/oxybuprocaine-hcl.html

>  <CAS Number> (1,642)
5987-82-6

$$$$
pheniramine maleate .cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,643)
1867

>  <Formula> (1,643)
C20H24N2O4

>  <MolWeight> (1,643)
356.41556

>  <Item Name> (1,643)
Pheniramine Maleate

>  <Catalog Number> (1,643)
S4045

>  <Synonyms> (1,643)
N/A

>  <Target> (1,643)
Histamine Receptor

>  <Form> (1,643)
Maleate

>  <URL> (1,643)
http://www.selleckchem.com/products/pheniramine-maleate.html

>  <CAS Number> (1,643)
132-20-7

$$$$
Pilocarpine HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,644)
1868

>  <Formula> (1,644)
C11H17ClN2O2

>  <MolWeight> (1,644)
244.71788

>  <Item Name> (1,644)
Pilocarpine HCl

>  <Catalog Number> (1,644)
S4231

>  <Synonyms> (1,644)
N/A

>  <Target> (1,644)
AChR

>  <Form> (1,644)
Hydrochloride

>  <URL> (1,644)
http://www.selleckchem.com/products/pilocarpine-hcl.html

>  <CAS Number> (1,644)
54-71-7

$$$$
Piperacillin Sodium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,645)
1869

>  <Formula> (1,645)
C23H26N5NaO7S

>  <MolWeight> (1,645)
539.53661

>  <Item Name> (1,645)
Piperacillin Sodium

>  <Catalog Number> (1,645)
S4222

>  <Synonyms> (1,645)
N/A

>  <Target> (1,645)
Antifection

>  <Form> (1,645)
Sodium Salt

>  <URL> (1,645)
http://www.selleckchem.com/products/piperacillin-sodium.html

>  <CAS Number> (1,645)
59703-84-3

$$$$
Tolperisone HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,646)
1870

>  <Formula> (1,646)
C16H24ClNO

>  <MolWeight> (1,646)
281.82086

>  <Item Name> (1,646)
Tolperisone HCl

>  <Catalog Number> (1,646)
S4200

>  <Synonyms> (1,646)
N/A

>  <Target> (1,646)
Sodium Channel

>  <Form> (1,646)
Hydrochloride

>  <URL> (1,646)
http://www.selleckchem.com/products/tolperisone-hcl.html

>  <CAS Number> (1,646)
3644-61-9

$$$$
Zoxazolamine.cdx
csChFnd80/07171813082D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,647)
1871

>  <Formula> (1,647)
C7H5ClN2O

>  <MolWeight> (1,647)
168.5804

>  <Item Name> (1,647)
Zoxazolamine

>  <Catalog Number> (1,647)
S4233

>  <Synonyms> (1,647)
N/A

>  <Target> (1,647)
Others

>  <Form> (1,647)
Free Base

>  <URL> (1,647)
http://www.selleckchem.com/products/zoxazolamine.html

>  <CAS Number> (1,647)
61-80-3

$$$$
AZD1080.cdx
csChFnd80/07171813082D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,648)
1872

>  <Formula> (1,648)
C19H18N4O2

>  <MolWeight> (1,648)
334.37182

>  <Item Name> (1,648)
AZD1080

>  <Catalog Number> (1,648)
S7145

>  <Synonyms> (1,648)
N/A

>  <Target> (1,648)
GSK-3

>  <Form> (1,648)
Free Base

>  <URL> (1,648)
http://www.selleckchem.com/products/azd1080.html

>  <CAS Number> (1,648)
612487-72-6

$$$$
192441-08-0.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,649)
1874

>  <Formula> (1,649)
C10H8BrN5OS

>  <MolWeight> (1,649)
326.17242

>  <Item Name> (1,649)
Lomeguatrib

>  <Catalog Number> (1,649)
S8056

>  <Synonyms> (1,649)
PaTrin-2

>  <Target> (1,649)
DNA Methyltransferase

>  <Form> (1,649)
Free Base

>  <URL> (1,649)
http://www.selleckchem.com/products/lomeguatrib.html

>  <CAS Number> (1,649)
192441-08-0

$$$$
NSC319726.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,650)
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>  <Formula> (1,650)
C11H14N4S

>  <MolWeight> (1,650)
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>  <Item Name> (1,650)
NSC319726

>  <Catalog Number> (1,650)
S7149

>  <Synonyms> (1,650)
N/A

>  <Target> (1,650)
p53

>  <Form> (1,650)
Free Base

>  <URL> (1,650)
http://www.selleckchem.com/products/nsc319726.html

>  <CAS Number> (1,650)
71555-25-4

$$$$
Prucalopride succinat.cdx
csChFnd80/07171813082D

 33 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,651)
1876

>  <Formula> (1,651)
C22H32ClN3O7

>  <MolWeight> (1,651)
485.95838

>  <Item Name> (1,651)
Prucalopride Succinat

>  <Catalog Number> (1,651)
S4247

>  <Synonyms> (1,651)
N/A

>  <Target> (1,651)
5-HT Receptor

>  <Form> (1,651)
Succinat

>  <URL> (1,651)
http://www.selleckchem.com/products/prucalopride-succinat.html

>  <CAS Number> (1,651)
179474-85-2

$$$$
Bromfenac sodium.cdx
csChFnd80/07171813082D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,652)
1877

>  <Formula> (1,652)
C15H11BrNNaO3

>  <MolWeight> (1,652)
356.14651

>  <Item Name> (1,652)
Bromfenac Sodium

>  <Catalog Number> (1,652)
S4248

>  <Synonyms> (1,652)
N/A

>  <Target> (1,652)
COX

>  <Form> (1,652)
Sodium Salt

>  <URL> (1,652)
http://www.selleckchem.com/products/bromfenac-sodium.html

>  <CAS Number> (1,652)
91714-93-1

$$$$
Flopropione.cdx
csChFnd80/07171813082D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,653)
1878

>  <Formula> (1,653)
C9H10O4

>  <MolWeight> (1,653)
182.1733

>  <Item Name> (1,653)
Flopropione

>  <Catalog Number> (1,653)
S4249

>  <Synonyms> (1,653)
N/A

>  <Target> (1,653)
5-HT Receptor

>  <Form> (1,653)
Free Base

>  <URL> (1,653)
http://www.selleckchem.com/products/flopropione.html

>  <CAS Number> (1,653)
2295-58-1

$$$$
S4246.cdx
csChFnd80/07171813082D

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A   12
relative stereochemistry
M  END
>  <Mol_ID> (1,654)
1879

>  <Formula> (1,654)
C9H12ClNR

>  <MolWeight> (1,654)
169.65128

>  <Item Name> (1,654)
Tranylcypromine (2-PCPA) HCl

>  <Catalog Number> (1,654)
S4246

>  <Synonyms> (1,654)
N/A

>  <Target> (1,654)
MAO

>  <Form> (1,654)
Hydrochloride

>  <URL> (1,654)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

>  <CAS Number> (1,654)
4548-34-9

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/07171813082D

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  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,655)
1880

>  <Formula> (1,655)
C11H12N4O3S

>  <MolWeight> (1,655)
280.30298

>  <Item Name> (1,655)
Sulfamethoxypyridazine

>  <Catalog Number> (1,655)
S4250

>  <Synonyms> (1,655)
N/A

>  <Target> (1,655)
Antifection

>  <Form> (1,655)
Free Base

>  <URL> (1,655)
http://www.selleckchem.com/products/sulfamethoxypyridazine.html

>  <CAS Number> (1,655)
80-35-3

$$$$
Phenothiazine.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (1,656)
1881

>  <Formula> (1,656)
C12H9NS

>  <MolWeight> (1,656)
199.27156

>  <Item Name> (1,656)
Phenothiazine

>  <Catalog Number> (1,656)
S4251

>  <Synonyms> (1,656)
N/A

>  <Target> (1,656)
Dopamine Receptor

>  <Form> (1,656)
Free Base

>  <URL> (1,656)
http://www.selleckchem.com/products/phenothiazine.html

>  <CAS Number> (1,656)
92-84-2

$$$$
Mechlorethamine HCl.cdx
csChFnd80/07171813082D

  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
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    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
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  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,657)
1882

>  <Formula> (1,657)
C5H12Cl3N

>  <MolWeight> (1,657)
192.51448

>  <Item Name> (1,657)
Mechlorethamine HCl

>  <Catalog Number> (1,657)
S4252

>  <Synonyms> (1,657)
N/A

>  <Target> (1,657)
DNA/RNA Synthesis

>  <Form> (1,657)
Hydrochloride

>  <URL> (1,657)
http://www.selleckchem.com/products/mechlorethamine-hcl.html

>  <CAS Number> (1,657)
55-86-7

$$$$
Epinastine HCl.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (1,658)
1883

>  <Formula> (1,658)
C16H16ClN3

>  <MolWeight> (1,658)
285.77134

>  <Item Name> (1,658)
Epinastine HCl

>  <Catalog Number> (1,658)
S4253

>  <Synonyms> (1,658)
N/A

>  <Target> (1,658)
Histamine Receptor

>  <Form> (1,658)
Hydrochloride

>  <URL> (1,658)
http://www.selleckchem.com/products/epinastine-hcl.html

>  <CAS Number> (1,658)
108929-04-0

$$$$
Apramycin Sulfate.cdx
csChFnd80/07171813082D

 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,659)
1884

>  <Formula> (1,659)
C21H43N5O15S

>  <MolWeight> (1,659)
637.65562

>  <Item Name> (1,659)
Apramycin Sulfate

>  <Catalog Number> (1,659)
S4254

>  <Synonyms> (1,659)
N/A

>  <Target> (1,659)
Antifection

>  <Form> (1,659)
Sulfate

>  <URL> (1,659)
http://www.selleckchem.com/products/apramycin-sulfate.html

>  <CAS Number> (1,659)
65710-07-8

$$$$
EPZ005687.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,664)
1890

>  <Formula> (1,664)
C17H17BrN2O5

>  <MolWeight> (1,664)
409.23128

>  <Item Name> (1,664)
HA14-1

>  <Catalog Number> (1,664)
S1071

>  <Synonyms> (1,664)
HA141

>  <Target> (1,664)
Bcl-2

>  <Form> (1,664)
Free Base

>  <URL> (1,664)
http://www.selleckchem.com/products/HA14-1.html

>  <CAS Number> (1,664)
65673-63-4

$$$$
Latrepirdine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,665)
1891

>  <Formula> (1,665)
C21H27Cl2N3

>  <MolWeight> (1,665)
392.36518

>  <Item Name> (1,665)
Latrepirdine 2HCl

>  <Catalog Number> (1,665)
S1245

>  <Synonyms> (1,665)
Dimebolin

>  <Target> (1,665)
GluR

>  <Form> (1,665)
Dihydrochloride

>  <URL> (1,665)
http://www.selleckchem.com/products/Dimebon.html

>  <CAS Number> (1,665)
97657-92-6

$$$$
CEPHALEXIN (cephalexin).cdx
csChFnd80/07171813082D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 12  9  1  6  0  0  0
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M  END
>  <Mol_ID> (1,666)
1893

>  <Formula> (1,666)
C16H17N3O4S

>  <MolWeight> (1,666)
347.38888

>  <Item Name> (1,666)
Cephalexin (Cefalexin)

>  <Catalog Number> (1,666)
S1502

>  <Synonyms> (1,666)
Cefalexin, Alcephin, Cefablan, keflex,Cefadin, Tepaxin

>  <Target> (1,666)
Antifection

>  <Form> (1,666)
Free Base

>  <URL> (1,666)
http://www.selleckchem.com/products/Cephalexin-(Cefalexin).html

>  <CAS Number> (1,666)
15686-71-2

$$$$
Bazedoxifene acetate.cdx
csChFnd80/07171813082D

 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,667)
1895

>  <Formula> (1,667)
C32H38N2O5

>  <MolWeight> (1,667)
530.65452

>  <Item Name> (1,667)
Bazedoxifene Acetate

>  <Catalog Number> (1,667)
S2167

>  <Synonyms> (1,667)
N/A

>  <Target> (1,667)
Estrogen/progestogen Receptor

>  <Form> (1,667)
Acetate

>  <URL> (1,667)
http://www.selleckchem.com/products/Bazedoxifene-acetate.html

>  <CAS Number> (1,667)
198481-33-3

$$$$
Aloe-emodin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,668)
1896

>  <Formula> (1,668)
C15H10O5

>  <MolWeight> (1,668)
270.2369

>  <Item Name> (1,668)
Aloe-emodin

>  <Catalog Number> (1,668)
S2259

>  <Synonyms> (1,668)
N/A

>  <Target> (1,668)
Antifection

>  <Form> (1,668)
Free Base

>  <URL> (1,668)
http://www.selleckchem.com/products/Aloe-emodin.html

>  <CAS Number> (1,668)
481-72-1

$$$$
Daidzin.cdx
csChFnd80/07171813082D

 30 33  0  0  0  0  0  0  0  0999 V2000
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Daidzin

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>  <Synonyms> (1,669)
N/A

>  <Target> (1,669)
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>  <Form> (1,669)
Free Base

>  <URL> (1,669)
http://www.selleckchem.com/products/Daidzin.html

>  <CAS Number> (1,669)
552-66-9

$$$$
OC000459.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,670)
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>  <Formula> (1,670)
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>  <MolWeight> (1,670)
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OC000459

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>  <Synonyms> (1,670)
N/A

>  <Target> (1,670)
GPR
GPR

>  <Form> (1,670)
Free Base

>  <URL> (1,670)
http://www.selleckchem.com/products/oc000459.html

>  <CAS Number> (1,670)
851723-84-7, 950688-14-9 (sodium salt)

$$$$
purmorphamine.cdx
csChFnd80/07171813082D

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1900

>  <Formula> (1,671)
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>  <Item Name> (1,671)
Purmorphamine

>  <Catalog Number> (1,671)
S3042

>  <Synonyms> (1,671)
N/A

>  <Target> (1,671)
Hedgehog/Smoothened

>  <Form> (1,671)
Free Base

>  <URL> (1,671)
http://www.selleckchem.com/products/purmorphamine.html

>  <CAS Number> (1,671)
483367-10-8

$$$$
Verapamil HCl.cdx
csChFnd80/07171813082D

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Verapamil HCl

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Calcium Channel

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Hydrochloride

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152-11-4

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p38 MAPK 

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Free Base

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http://www.selleckchem.com/products/VX-745.html

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209410-46-8

$$$$
untitled.cdx
csChFnd80/07171813082D

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>  <Target> (1,674)
Akt

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>  <CAS Number> (1,674)
35943-35-2

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csChFnd80/07171813082D

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JAK

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935666-88-9, 1260222-79-4 (TFA)

$$$$
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Endothelin Receptor

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147536-97-8

$$$$
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C23H32Cl3N3O

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Quinacrine 2HCl

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S4255

>  <Synonyms> (1,677)
N/A

>  <Target> (1,677)
Phospholipase (e.g. PLA)

>  <Form> (1,677)
Dihydrochloride

>  <URL> (1,677)
http://www.selleckchem.com/products/quinacrine-2hcl.html

>  <CAS Number> (1,677)
69-05-6

$$$$
MEK162 (ARRY-438162).cdx
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>  <Formula> (1,678)
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Binimetinib (MEK162, ARRY-162, ARRY-438162)

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>  <Synonyms> (1,678)
N/A

>  <Target> (1,678)
MEK

>  <Form> (1,678)
Free Base

>  <URL> (1,678)
http://www.selleckchem.com/products/mek162.html

>  <CAS Number> (1,678)
606143-89-9

$$$$
brefeldin A.cdx
csChFnd80/07171813082D

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1909

>  <Formula> (1,679)
C16H24O4

>  <MolWeight> (1,679)
280.35936

>  <Item Name> (1,679)
Brefeldin A 

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S7046

>  <Synonyms> (1,679)
BFA

>  <Target> (1,679)
ATPase

>  <Form> (1,679)
Free Base

>  <URL> (1,679)
http://www.selleckchem.com/products/brefeldin-a.html

>  <CAS Number> (1,679)
20350-15-6

$$$$
T0901317.cdx
csChFnd80/07171813082D

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>  <Formula> (1,680)
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Liver X Receptor

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Free Base

>  <URL> (1,680)
http://www.selleckchem.com/products/t0901317.html

>  <CAS Number> (1,680)
293754-55-9

$$$$
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PDK-1

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Free Base

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http://www.selleckchem.com/products/gsk2334470.html

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1227911-45-6

$$$$
SC144.cdx
csChFnd80/07171813082D

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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/sc144.html

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895158-95-9

$$$$
TIC10.cdx
csChFnd80/07171813082D

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TIC10 analogue

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S7127

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TRAIL-inducing Compound 10

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Akt

>  <Form> (1,683)
Free Base

>  <URL> (1,683)
http://www.selleckchem.com/products/tic10.html

>  <CAS Number> (1,683)
41276-02-2

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/07171813082D

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>  <Formula> (1,684)
C22H22ClN5O2

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Epigenetic Reader Domain

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Free Base

>  <URL> (1,684)
http://www.selleckchem.com/products/i-bet-762.html

>  <CAS Number> (1,684)
1260907-17-2

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/07171813082D

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>  <Formula> (1,685)
C16H10BrN3O2

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BIO

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GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

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GSK-3

>  <Form> (1,685)
Free Base

>  <URL> (1,685)
http://www.selleckchem.com/products/bio.html

>  <CAS Number> (1,685)
667463-62-9

$$$$
Fosbretabulin disodium (Combretastatin A-4 phosphate disodium, CA4P disodium).cdx
csChFnd80/07171813082D

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csChFnd80/07171813082D

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300586-90-7

$$$$
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TGF-beta/Smad

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446859-33-2

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4707-32-8

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1021868-92-7

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    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
    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
    8.4870    1.4000    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
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
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 11 12  1  0  0  0  0
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  7  9  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,696)
1926

>  <Formula> (1,696)
C12H11N3O

>  <MolWeight> (1,696)
213.23524

>  <Item Name> (1,696)
PluriSIn #1 (NSC 14613)

>  <Catalog Number> (1,696)
S8076

>  <Synonyms> (1,696)
N/A

>  <Target> (1,696)
Dehydrogenase

>  <Form> (1,696)
Free Base

>  <URL> (1,696)
http://www.selleckchem.com/products/PluriSIn-1-nsc-14613.html

>  <CAS Number> (1,696)
91396-88-2

$$$$
SGC 0946.cdx
csChFnd80/07171813082D

 40 43  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    1.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0704    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    2.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7075    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9199    2.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9199    4.2022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1323    4.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3797    4.2666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5994    2.8791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9869    2.6593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6246    3.9110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6313    4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0074    4.1300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6095    1.8892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6224    1.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0007    3.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2524    3.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0325    5.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6451    5.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9273    1.7338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1054    0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3570    1.6065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4306    3.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6779    3.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0224    6.1518    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 10  1  0  0  0  0
  4 11  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
 18 22  1  0  0  0  0
 23 22  1  1  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 23  1  0  0  0  0
 26 28  1  1  0  0  0
 24 29  1  6  0  0  0
 25 30  1  6  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 28  1  0  0  0  0
 31 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 32  1  0  0  0  0
 38 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,697)
1927

>  <Formula> (1,697)
C28H40BrN7O4

>  <MolWeight> (1,697)
618.5657

>  <Item Name> (1,697)
SGC 0946

>  <Catalog Number> (1,697)
S7079

>  <Synonyms> (1,697)
N/A

>  <Target> (1,697)
Histone Methyltransferase

>  <Form> (1,697)
Free Base

>  <URL> (1,697)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Erastin.cdx
csChFnd80/07171813082D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.0222    7.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3222    8.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9269    8.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326    7.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9254    6.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3088    6.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0171    4.8430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2128    4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7998    4.8356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3020    1.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1957    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1973    2.4222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5974    2.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2962    3.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6973    3.6327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3970    4.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8019    4.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5042    6.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8019    7.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3973    7.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6949    6.0610    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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M  END
>  <Mol_ID> (1,698)
1928

>  <Formula> (1,698)
C30H31ClN4O4

>  <MolWeight> (1,698)
547.04454

>  <Item Name> (1,698)
Erastin

>  <Catalog Number> (1,698)
S7242

>  <Synonyms> (1,698)
N/A

>  <Target> (1,698)
Ferroptosis

>  <Form> (1,698)
Free Base

>  <URL> (1,698)
http://www.selleckchem.com/products/erastin.html

>  <CAS Number> (1,698)
571203-78-6

$$$$
RAD51 inhibitor RI-1.cdx
csChFnd80/07171813082D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7381    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3133    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  8  1  0  0  0  0
  3  9  1  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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 13  9  1  0  0  0  0
 13 14  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 11 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
M  END
>  <Mol_ID> (1,699)
1929

>  <Formula> (1,699)
C14H11Cl3N2O3

>  <MolWeight> (1,699)
361.60774

>  <Item Name> (1,699)
RI-1

>  <Catalog Number> (1,699)
S8077

>  <Synonyms> (1,699)
RAD51 inhibitor 1

>  <Target> (1,699)
Others

>  <Form> (1,699)
Free Base

>  <URL> (1,699)
http://www.selleckchem.com/products/ri-1.html

>  <CAS Number> (1,699)
415713-60-9

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/07171813082D

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.3410    6.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8477    8.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2671    7.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3432    8.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (1,700)
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Ro 31-8220 Mesylate

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Bisindolylmaleimide IX Mesylate

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PKC

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Mesylate

>  <URL> (1,700)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

>  <CAS Number> (1,700)
138489-18-6

$$$$
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csChFnd80/07171813082D

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>  <Formula> (1,701)
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Pifithrin-¦Ì

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NSC 303580, PFT¦Ì

>  <Target> (1,701)
p53

>  <Form> (1,701)
Free Base

>  <URL> (1,701)
http://www.selleckchem.com/products/pifithrin-u.html

>  <CAS Number> (1,701)
64984-31-2

$$$$
AZD1981.cdx
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>  <Mol_ID> (1,702)
1932

>  <Formula> (1,702)
C19H17ClN2O3S

>  <MolWeight> (1,702)
388.86788

>  <Item Name> (1,702)
AZD1981

>  <Catalog Number> (1,702)
S7263

>  <Synonyms> (1,702)
N/A

>  <Target> (1,702)
GPR

>  <Form> (1,702)
Free Base

>  <URL> (1,702)
http://www.selleckchem.com/products/azd1981.html

>  <CAS Number> (1,702)
802904-66-1

$$$$
Bardoxolone Methyl.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,703)
1933

>  <Formula> (1,703)
C32H43NO4

>  <MolWeight> (1,703)
505.68812

>  <Item Name> (1,703)
Bardoxolone Methyl

>  <Catalog Number> (1,703)
S8078

>  <Synonyms> (1,703)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (1,703)
I¦ÊB/IKK

>  <Form> (1,703)
Free Base

>  <URL> (1,703)
http://www.selleckchem.com/products/bardoxolone-methyl.html

>  <CAS Number> (1,703)
218600-53-4

$$$$
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M  END
>  <Mol_ID> (1,704)
1934

>  <Formula> (1,704)
C15H17FN6O2S

>  <MolWeight> (1,704)
364.3978832

>  <Item Name> (1,704)
CZC24832

>  <Catalog Number> (1,704)
S7018

>  <Synonyms> (1,704)
N/A

>  <Target> (1,704)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (1,704)
Free Base

>  <URL> (1,704)
http://www.selleckchem.com/products/czc24832.html

>  <CAS Number> (1,704)
1159824-67-5

$$$$
SGI-1027.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,705)
1936

>  <Formula> (1,705)
C27H23N7O

>  <MolWeight> (1,705)
461.51782

>  <Item Name> (1,705)
SGI-1027

>  <Catalog Number> (1,705)
S7276

>  <Synonyms> (1,705)
DNA Methyltransferase Inhibitor II

>  <Target> (1,705)
DNA Methyltransferase

>  <Form> (1,705)
Free Base

>  <URL> (1,705)
http://www.selleckchem.com/products/sgi-1027.html

>  <CAS Number> (1,705)
1020149-73-8

$$$$
SRPIN340.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,706)
1937

>  <Formula> (1,706)
C18H18F3N3O

>  <MolWeight> (1,706)
349.3502296

>  <Item Name> (1,706)
SRPIN340

>  <Catalog Number> (1,706)
S7270

>  <Synonyms> (1,706)
N/A

>  <Target> (1,706)
Others

>  <Form> (1,706)
Free Base

>  <URL> (1,706)
http://www.selleckchem.com/products/srpin340.html

>  <CAS Number> (1,706)
218156-96-8

$$$$
ETP-46464.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,707)
1938

>  <Formula> (1,707)
C30H22N4O2

>  <MolWeight> (1,707)
470.52128

>  <Item Name> (1,707)
ETP-46464

>  <Catalog Number> (1,707)
S8050

>  <Synonyms> (1,707)
N/A

>  <Target> (1,707)
mTOR

>  <Form> (1,707)
Free Base

>  <URL> (1,707)
http://www.selleckchem.com/products/etp-46464.html

>  <CAS Number> (1,707)
1345675-02-6

$$$$
Golgicide A.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,708)
1939

>  <Formula> (1,708)
C17H14F2N2

>  <MolWeight> (1,708)
284.3032664

>  <Item Name> (1,708)
Golgicide A

>  <Catalog Number> (1,708)
S7266

>  <Synonyms> (1,708)
N/A

>  <Target> (1,708)
ATPase

>  <Form> (1,708)
Free Base

>  <URL> (1,708)
http://www.selleckchem.com/products/golgicide-a.html

>  <CAS Number> (1,708)
1139889-93-2

$$$$
XL388.cdx
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mTOR

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Free Base

>  <URL> (1,709)
http://www.selleckchem.com/products/xl388.html

>  <CAS Number> (1,709)
1251156-08-7

$$$$
CO-1686(AVL-301).cdx
csChFnd80/07171813082D

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>  <Formula> (1,710)
C27H28F3N7O3

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>  <Item Name> (1,710)
Rociletinib (CO-1686, AVL-301)

>  <Catalog Number> (1,710)
S7284

>  <Synonyms> (1,710)
CNX-419, AVL-301

>  <Target> (1,710)
EGFR

>  <Form> (1,710)
Free Base

>  <URL> (1,710)
http://www.selleckchem.com/products/co-1686.html

>  <CAS Number> (1,710)
1374640-70-6

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,711)
1942

>  <Formula> (1,711)
C24H27Cl2N5O

>  <MolWeight> (1,711)
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>  <Item Name> (1,711)
Dorsomorphin (Compound C) 2HCl

>  <Catalog Number> (1,711)
S7306

>  <Synonyms> (1,711)
BML-275,Compound C

>  <Target> (1,711)
AMPK

>  <Form> (1,711)
Dihydrochloride

>  <URL> (1,711)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

>  <CAS Number> (1,711)
1219168-18-9

$$$$
EHop-016.cdx
csChFnd80/07171813082D

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noscapine hydrochloride

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N/A

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Others

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hydrochloride

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http://www.selleckchem.com/products/noscapine-hcl.html

>  <CAS Number> (1,716)
912-60-7

$$$$
oxethazaine.cdx
csChFnd80/07171813082D

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>  <Formula> (1,717)
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>  <MolWeight> (1,717)
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>  <Item Name> (1,717)
oxethazaine

>  <Catalog Number> (1,717)
S4343 

>  <Synonyms> (1,717)
Oxethacaine

>  <Target> (1,717)
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>  <Form> (1,717)
Free Base

>  <URL> (1,717)
http://www.selleckchem.com/products/oxethazaine.html

>  <CAS Number> (1,717)
126-27-2

$$$$
(S)-(+)-FLURBIPROFEN.cdx
csChFnd80/07171813082D

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>  <Formula> (1,718)
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>  <MolWeight> (1,718)
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>  <Item Name> (1,718)
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COX

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http://www.selleckchem.com/products/Flurbiprofen(Ansaid).html

>  <CAS Number> (1,718)
51543-39-6

$$$$
Chlorpheniramine Maleate.cdx
csChFnd80/07171813082D

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>  <Formula> (1,719)
C20H23ClN2O4

>  <MolWeight> (1,719)
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Chlorpheniramine Maleate

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http://www.selleckchem.com/products/Chlorpheniramine-maleate.html

>  <CAS Number> (1,719)
113-92-8

$$$$
Emtricitabine.cdx
csChFnd80/07171813082D

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>  <Formula> (1,720)
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Atripla

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Reverse Transcriptase

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Free Base

>  <URL> (1,720)
http://www.selleckchem.com/products/Emtricitabine.html

>  <CAS Number> (1,720)
143491-57-0

$$$$
Idoxuridine.cdx
csChFnd80/07171813082D

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54-42-2

$$$$
Lubiprostone.cdx
csChFnd80/07171813082D

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2061

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C20H32F2O5

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Lubiprostone

>  <Catalog Number> (1,722)
S1675

>  <Synonyms> (1,722)
Amitiza, RU-0211, SPI-0211

>  <Target> (1,722)
Others

>  <Form> (1,722)
Free Base

>  <URL> (1,722)
http://www.selleckchem.com/products/Lubiprostone(Amitiza).html

>  <CAS Number> (1,722)
136790-76-6

$$$$
Mitotane.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,723)
2062

>  <Formula> (1,723)
C14H10Cl4

>  <MolWeight> (1,723)
320.0412

>  <Item Name> (1,723)
Mitotane

>  <Catalog Number> (1,723)
S1732

>  <Synonyms> (1,723)
Lysodren, Mitotan

>  <Target> (1,723)
Others

>  <Form> (1,723)
Free Base

>  <URL> (1,723)
http://www.selleckchem.com/products/Mitotane(Lysodren).html

>  <CAS Number> (1,723)
53-19-0

$$$$
Nisoldipine.cdx
csChFnd80/07171813082D

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M  END
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2063

>  <Formula> (1,724)
C20H24N2O6

>  <MolWeight> (1,724)
388.41436

>  <Item Name> (1,724)
Nisoldipine

>  <Catalog Number> (1,724)
S1748

>  <Synonyms> (1,724)
Zadipina

>  <Target> (1,724)
Calcium Channel

>  <Form> (1,724)
Free Base

>  <URL> (1,724)
http://www.selleckchem.com/products/Nisoldipine(Sular).html

>  <CAS Number> (1,724)
63675-72-9

$$$$
Rifabutin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,725)
2065

>  <Formula> (1,725)
C46H62N4O11

>  <MolWeight> (1,725)
847.00468

>  <Item Name> (1,725)
Rifabutin

>  <Catalog Number> (1,725)
S1741

>  <Synonyms> (1,725)
Mycobutin, Ansamycin, LM 427, Ansatipine

>  <Target> (1,725)
Antifection

>  <Form> (1,725)
Free Base

>  <URL> (1,725)
http://www.selleckchem.com/products/Rifabutin(Mycobutin).html

>  <CAS Number> (1,725)
72559-06-9

$$$$
Rifampin.cdx
csChFnd80/07171813082D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (1,726)
2066

>  <Formula> (1,726)
C43H58N4O12

>  <MolWeight> (1,726)
822.94022

>  <Item Name> (1,726)
Rifampin

>  <Catalog Number> (1,726)
S1764

>  <Synonyms> (1,726)
Rifampicin

>  <Target> (1,726)
DNA/RNA Synthesis

>  <Form> (1,726)
Free Base

>  <URL> (1,726)
http://www.selleckchem.com/products/Rifampin(Rifadin).html

>  <CAS Number> (1,726)
13292-46-1

$$$$
Rifapentine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,727)
2067

>  <Formula> (1,727)
C47H64N4O12

>  <MolWeight> (1,727)
877.03066

>  <Item Name> (1,727)
Rifapentine

>  <Catalog Number> (1,727)
S1760

>  <Synonyms> (1,727)
Cyclopentylrifampicin

>  <Target> (1,727)
DNA/RNA Synthesis

>  <Form> (1,727)
Free Base

>  <URL> (1,727)
http://www.selleckchem.com/products/Rifapentine(Priftin).html

>  <CAS Number> (1,727)
61379-65-5

$$$$
spironolactone.cdx
csChFnd80/07171813082D

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  9 23  1  1  0  0  0
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 29 31  2  0  0  0  0
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M  END
>  <Mol_ID> (1,728)
2068

>  <Formula> (1,728)
C24H32O4S

>  <MolWeight> (1,728)
416.57348

>  <Item Name> (1,728)
spironolactone

>  <Catalog Number> (1,728)
S4054

>  <Synonyms> (1,728)
N/A

>  <Target> (1,728)
Androgen Receptor

>  <Form> (1,728)
Free Base

>  <URL> (1,728)
http://www.selleckchem.com/products/spironolactone.html

>  <CAS Number> (1,728)
52-01-7

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/07171813082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,729)
2069

>  <Formula> (1,729)
C15H12O7

>  <MolWeight> (1,729)
304.25158

>  <Item Name> (1,729)
Taxifolin (Dihydroquercetin)

>  <Catalog Number> (1,729)
S2366

>  <Synonyms> (1,729)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (1,729)
VEGFR

>  <Form> (1,729)
Free Base

>  <URL> (1,729)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

>  <CAS Number> (1,729)
480-18-2

$$$$
Alizapride hydrochloride.cdx
csChFnd80/07171813082D

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.5485    2.6571    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
 10 12  1  0  0  0  0
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 13 15  1  0  0  0  0
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 17 19  1  0  0  0  0
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 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,730)
2071

>  <Formula> (1,730)
C16H22ClN5O2

>  <MolWeight> (1,730)
351.83118

>  <Item Name> (1,730)
Alizapride hydrochloride

>  <Catalog Number> (1,730)
S4257 

>  <Synonyms> (1,730)
N/A

>  <Target> (1,730)
Dopamine Receptor

>  <Form> (1,730)
hydrochloride

>  <URL> (1,730)
http://www.selleckchem.com/products/alizapride-hcl.html

>  <CAS Number> (1,730)
59338-87-3

$$$$
Brimonidine Tartrate.cdx
csChFnd80/07171813082D

 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
    0.0000    0.7000    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
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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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 10  5  2  0  0  0  0
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  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,731)
2072

>  <Formula> (1,731)
C15H16BrN5O6

>  <MolWeight> (1,731)
442.22144

>  <Item Name> (1,731)
Brimonidine Tartrate

>  <Catalog Number> (1,731)
S4266

>  <Synonyms> (1,731)
N/A

>  <Target> (1,731)
Adrenergic Receptor

>  <Form> (1,731)
Tartrate

>  <URL> (1,731)
http://www.selleckchem.com/products/brimonidine-tartrate.html

>  <CAS Number> (1,731)
70359-46-5

$$$$
Buspirone hydrochloride.cdx
csChFnd80/07171813082D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,732)
2073

>  <Formula> (1,732)
C21H32ClN5O2

>  <MolWeight> (1,732)
421.96408

>  <Item Name> (1,732)
Buspirone hydrochloride

>  <Catalog Number> (1,732)
S4256 

>  <Synonyms> (1,732)
N/A

>  <Target> (1,732)
5-HT Receptor

>  <Form> (1,732)
Hydrochloride

>  <URL> (1,732)
http://www.selleckchem.com/products/buspirone-hcl.html

>  <CAS Number> (1,732)
33386-08-2

$$$$
Diacerein.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,733)
2074

>  <Formula> (1,733)
C19H12O8

>  <MolWeight> (1,733)
368.29378

>  <Item Name> (1,733)
Diacerein

>  <Catalog Number> (1,733)
S4267 

>  <Synonyms> (1,733)
N/A

>  <Target> (1,733)
IL Receptor

>  <Form> (1,733)
Free Base

>  <URL> (1,733)
http://www.selleckchem.com/products/diacerein.html

>  <CAS Number> (1,733)
13739-02-1

$$$$
RAPAFLO (silodosin).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,734)
2075

>  <Formula> (1,734)
C25H32F3N3O4

>  <MolWeight> (1,734)
495.5344896

>  <Item Name> (1,734)
Silodosin

>  <Catalog Number> (1,734)
S1613

>  <Synonyms> (1,734)
N/A

>  <Target> (1,734)
Adrenergic Recepto

>  <Form> (1,734)
Free Base

>  <URL> (1,734)
http://www.selleckchem.com/products/Silodosin(Rapaflo).html

>  <CAS Number> (1,734)
160970-54-7

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,735)
2076

>  <Formula> (1,735)
C22H29FN3O9P

>  <MolWeight> (1,735)
529.4525242

>  <Item Name> (1,735)
Sofosbuvir(PSI-7977)

>  <Catalog Number> (1,735)
S2794

>  <Synonyms> (1,735)
N/A

>  <Target> (1,735)
DNA/RNA Synthesis

>  <Form> (1,735)
Free Base

>  <URL> (1,735)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

>  <CAS Number> (1,735)
1190307-88-0

$$$$
Ebastine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,736)
2077

>  <Formula> (1,736)
C32H39NO2

>  <MolWeight> (1,736)
469.65756

>  <Item Name> (1,736)
Ebastine

>  <Catalog Number> (1,736)
S4262 

>  <Synonyms> (1,736)
N/A

>  <Target> (1,736)
Others

>  <Form> (1,736)
Free Base

>  <URL> (1,736)
http://www.selleckchem.com/products/ebastine.html

>  <CAS Number> (1,736)
90729-43-4

$$$$
Efaproxiral sodium.cdx
csChFnd80/07171813082D

 26 26  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
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M  END
>  <Mol_ID> (1,737)
2078

>  <Formula> (1,737)
C20H22NNaO4

>  <MolWeight> (1,737)
363.38275

>  <Item Name> (1,737)
Efaproxiral sodium

>  <Catalog Number> (1,737)
S4263 

>  <Synonyms> (1,737)
N/A

>  <Target> (1,737)
Others

>  <Form> (1,737)
Sodium salt

>  <URL> (1,737)
http://www.selleckchem.com/products/efaproxiral-sodium.html

>  <CAS Number> (1,737)
170787-99-2

$$$$
Etofibrate.cdx
csChFnd80/07171813082D

 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
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,738)
2079

>  <Formula> (1,738)
C18H18ClNO5

>  <MolWeight> (1,738)
363.79222

>  <Item Name> (1,738)
Etofibrate

>  <Catalog Number> (1,738)
S4264 

>  <Synonyms> (1,738)
N/A

>  <Target> (1,738)
Others

>  <Form> (1,738)
Free Base

>  <URL> (1,738)
http://www.selleckchem.com/products/etofibrate.html

>  <CAS Number> (1,738)
31637-97-5

$$$$
Flufenamic acid.cdx
csChFnd80/07171813082D

 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
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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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M  END
>  <Mol_ID> (1,739)
2080

>  <Formula> (1,739)
C14H10F3NO2

>  <MolWeight> (1,739)
281.2299096

>  <Item Name> (1,739)
Flufenamic acid

>  <Catalog Number> (1,739)
S4268 

>  <Synonyms> (1,739)
N/A

>  <Target> (1,739)
COX

>  <Form> (1,739)
Free Base

>  <URL> (1,739)
http://www.selleckchem.com/products/flufenamic-acid.html

>  <CAS Number> (1,739)
530-78-9

$$$$
Luliconazole.cdx
csChFnd80/07171813082D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    4.9964    2.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4202    6.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0699    3.2383    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> (1,740)
2081

>  <Formula> (1,740)
C14H9Cl2N3S2

>  <MolWeight> (1,740)
354.27736

>  <Item Name> (1,740)
Luliconazole

>  <Catalog Number> (1,740)
S4258 

>  <Synonyms> (1,740)
N/A

>  <Target> (1,740)
Antifection

>  <Form> (1,740)
Free Base

>  <URL> (1,740)
http://www.selleckchem.com/products/luliconazole.html

>  <CAS Number> (1,740)
187164-19-8

$$$$
Nicaraven.cdx
csChFnd80/07171813082D

 21 22  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
    8.4870    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
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>  <Target> (1,741)
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>  <Form> (1,741)
Free Base

>  <URL> (1,741)
http://www.selleckchem.com/products/nicaraven.html

>  <CAS Number> (1,741)
79455-30-4

$$$$
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csChFnd80/07171813082D

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Tamibarotene

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>  <Synonyms> (1,742)
N/A

>  <Target> (1,742)
Retinoid Receptor

>  <Form> (1,742)
Free Base

>  <URL> (1,742)
http://www.selleckchem.com/products/tamibarotene.html

>  <CAS Number> (1,742)
94497-51-5

$$$$
Vilazodone Hydrochloride.cdx
csChFnd80/07171813082D

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>  <Formula> (1,743)
C26H28ClN5O2

>  <MolWeight> (1,743)
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>  <Item Name> (1,743)
Vilazodone Hydrochloride

>  <Catalog Number> (1,743)
S4259 

>  <Synonyms> (1,743)
N/A

>  <Target> (1,743)
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>  <Form> (1,743)
Hydrochloride

>  <URL> (1,743)
http://www.selleckchem.com/products/vilazodone-hcl.html

>  <CAS Number> (1,743)
163521-08-2

$$$$
bms-345541.cdx
csChFnd80/07171813082D

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>  <Formula> (1,744)
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>  <Item Name> (1,744)
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I¦ÊB/IKK

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Free Base

>  <URL> (1,744)
http://www.selleckchem.com/products/bms-345541.html

>  <CAS Number> (1,744)
445430-58-0

$$$$
BMS-833923 (XL139).cdx
csChFnd80/07171813082D

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>  <Target> (1,745)
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>  <CAS Number> (1,745)
1059734-66-5

$$$$
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csChFnd80/07171813082D

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$$$$
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$$$$
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Caffeic acid phenethyl ester(CAPE)

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NF-¦ÊB

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Free Base

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http://www.selleckchem.com/products/caffeic-acid-phenethyl-ester.html

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104594-70-9

$$$$
ASP3026   structure.cdx
csChFnd80/07171813082D

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C29H40N8O3S

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ASP3026

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N/A

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ALK

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Free Base

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http://www.selleckchem.com/products/asp3026.html

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1097917-15-1

$$$$
LGK-974.cdx
csChFnd80/07171813082D

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C23H20N6O

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LGK-974

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N/A

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Wnt/beta-catenin

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Free Base

>  <URL> (1,776)
http://www.selleckchem.com/products/lgk-974.html

>  <CAS Number> (1,776)
1243244-14-5

$$$$
Difluoxacin hydrochloride .cdx
csChFnd80/07171813082D

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C21H20ClF2N3O3

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Difloxacin hydrochloride

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S5041

>  <Synonyms> (1,777)
N/A

>  <Target> (1,777)
Anti-infection

>  <Form> (1,777)
hydrochloride 

>  <URL> (1,777)
http://selleckchem.com/products/difloxacin-hydrochloride.html

>  <CAS Number> (1,777)
91296-86-5

$$$$
LM-3067 4¦Ì8C.cdx
csChFnd80/07171813082D

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Free Base

>  <URL> (1,805)
http://www.selleckchem.com/products/unc669.html

>  <CAS Number> (1,805)
1314241-44-5

$$$$
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VEGFR

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http://www.selleckchem.com/products/sklb1002.html

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1225451-84-2

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676596-65-9

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Free Base

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http://www.selleckchem.com/products/azd7545.html

>  <CAS Number> (1,819)
252017-04-2

$$$$
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csChFnd80/07171813082D

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>  <Formula> (1,820)
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>  <Synonyms> (1,820)
Telotristat Etiprate

>  <Target> (1,820)
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>  <URL> (1,820)
http://www.selleckchem.com/products/telotristat-etiprate-lx-1606-hippurate.html

>  <CAS Number> (1,820)
11137608-69-5

$$$$
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csChFnd80/07171813082D

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1285702-20-6

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>  <CAS Number> (1,822)
1062368-49-3

$$$$
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1229208-44-9

$$$$
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No

$$$$
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M  END
>  <Mol_ID> (1,830)
2189

>  <Formula> (1,830)
C53H66N4O20

>  <MolWeight> (1,830)
1079.10594

>  <Item Name> (1,830)
Vinorelbine Tartrate

>  <Catalog Number> (1,830)
S4269

>  <Synonyms> (1,830)
N/A

>  <Target> (1,830)
Microtubule Associated

>  <Form> (1,830)
Tartrate

>  <URL> (1,830)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

>  <CAS Number> (1,830)
125317-39-7

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/07171813082D

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    3.8438    2.7995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,831)
2190

>  <Formula> (1,831)
C15H26N2O5

>  <MolWeight> (1,831)
314.37734

>  <Item Name> (1,831)
Loxistatin Acid (E-64C)

>  <Catalog Number> (1,831)
S7392

>  <Synonyms> (1,831)
NSC 694279, EP 475

>  <Target> (1,831)
Cysteine Protease

>  <Form> (1,831)
Free Base

>  <URL> (1,831)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

>  <CAS Number> (1,831)
76684-89-4

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,832)
2192

>  <Formula> (1,832)
C6H9NO5

>  <MolWeight> (1,832)
175.13936

>  <Item Name> (1,832)
DMOG

>  <Catalog Number> (1,832)
S7483

>  <Synonyms> (1,832)
Dimethyloxalylglycine

>  <Target> (1,832)
Hydroxylase

>  <Form> (1,832)
Free Base

>  <URL> (1,832)
http://www.selleckchem.com/products/dmog.html

>  <CAS Number> (1,832)
89464-63-1

$$$$
Trelagliptin.cdx
csChFnd80/07171813082D

 26 28  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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M  END
>  <Mol_ID> (1,833)
2193

>  <Formula> (1,833)
C18H20FN5O2

>  <MolWeight> (1,833)
357.3821032

>  <Item Name> (1,833)
Trelagliptin

>  <Catalog Number> (1,833)
S7513

>  <Synonyms> (1,833)
SYR-472

>  <Target> (1,833)
DPP-4

>  <Form> (1,833)
Free Base

>  <URL> (1,833)
http://www.selleckchem.com/products/trelagliptin.html

>  <CAS Number> (1,833)
865759-25-7

$$$$
PU-H71.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,834)
2194

>  <Formula> (1,834)
C18H21IN6O2S

>  <MolWeight> (1,834)
512.36781

>  <Item Name> (1,834)
PU-H71

>  <Catalog Number> (1,834)
S8039

>  <Synonyms> (1,834)
NSC 750424

>  <Target> (1,834)
HSP 

>  <Form> (1,834)
Free Base

>  <URL> (1,834)
http://www.selleckchem.com/products/pu-h71.html

>  <CAS Number> (1,834)
873436-91-0

$$$$
NMS-E973.cdx
csChFnd80/07171813082D

 33 36  0  0  0  0  0  0  0  0999 V2000
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Tenovin-6

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N/A

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p53,Sirtuin

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Free Base

>  <URL> (1,846)
http://www.selleckchem.com/products/tenovin-6.html

>  <CAS Number> (1,846)
1011557-82-6

$$$$
Almorexant HCl.cdx
csChFnd80/07171813082D

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>  <Target> (1,847)
OX Receptor

>  <Form> (1,847)
Hydrochloride

>  <URL> (1,847)
http://www.selleckchem.com/products/almorexant-hcl.html

>  <CAS Number> (1,847)
913358-93-7

$$$$
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C21H18N4O4S

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N/A

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PI3K

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Free Base

>  <URL> (1,848)
http://www.selleckchem.com/products/hs-173.html

>  <CAS Number> (1,848)
1276110-06-5

$$$$
GSK923295.cdx
csChFnd80/07171813082D

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C32H38ClN5O4

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N/A

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Kinesin

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Free Base

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http://www.selleckchem.com/products/gsk923295.html

>  <CAS Number> (1,849)
1088965-37-0

$$$$
Z-FA-FMK.cdx
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Oxiracetam.cdx
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62613-82-5

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959763-06-5

$$$$
BAPTA-AM.cdx
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$$$$
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$$$$
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M  END
>  <Mol_ID> (1,869)
2230

>  <Formula> (1,869)
C17H14Br3N5OS

>  <MolWeight> (1,869)
576.10296

>  <Item Name> (1,869)
PTC-209 HBr

>  <Catalog Number> (1,869)
S7539

>  <Synonyms> (1,869)
N/A

>  <Target> (1,869)
Others

>  <Form> (1,869)
Free Base

>  <URL> (1,869)
http://www.selleckchem.com/products/ptc-209-hbr.html

>  <CAS Number> (1,869)
1217022-63-3

$$$$
CX-6258 HCl .cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,870)
2231

>  <Formula> (1,870)
C26H25Cl2N3O3

>  <MolWeight> (1,870)
498.401

>  <Item Name> (1,870)
CX-6258 HCl

>  <Catalog Number> (1,870)
S7041

>  <Synonyms> (1,870)
N/A

>  <Target> (1,870)
Pim

>  <Form> (1,870)
Hydrochloride

>  <URL> (1,870)
http://www.selleckchem.com/products/CX-6258.html

>  <CAS Number> (1,870)
1353859-00-3

$$$$
EHT 1864.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,871)
2232

>  <Formula> (1,871)
C25H29Cl2F3N2O4S

>  <MolWeight> (1,871)
581.4749696

>  <Item Name> (1,871)
EHT 1864 2HCl

>  <Catalog Number> (1,871)
S7482

>  <Synonyms> (1,871)
N/A

>  <Target> (1,871)
Rho

>  <Form> (1,871)
Dihydrochloride

>  <URL> (1,871)
http://www.selleckchem.com/products/eht-1864.html

>  <CAS Number> (1,871)
754240-09-0

$$$$
EMD 1214063.cdx
csChFnd80/07171813082D

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>  <Formula> (1,881)
C22H26N4O3

>  <MolWeight> (1,881)
394.46684

>  <Item Name> (1,881)
PI-1840

>  <Catalog Number> (1,881)
S7462

>  <Synonyms> (1,881)
N/A

>  <Target> (1,881)
Proteasome

>  <Form> (1,881)
Free Base

>  <URL> (1,881)
http://www.selleckchem.com/products/pi-1840.html

>  <CAS Number> (1,881)
1401223-22-0

$$$$
(-)-p-Bromotetramisole oxalate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,882)
2244

>  <Formula> (1,882)
C13H13BrN2O4S

>  <MolWeight> (1,882)
373.22232

>  <Item Name> (1,882)
(-)-p-Bromotetramisole Oxalate

>  <Catalog Number> (1,882)
S7383

>  <Synonyms> (1,882)
L-p-Bromotetramisole Oxalate

>  <Target> (1,882)
Others

>  <Form> (1,882)
Oxalate

>  <URL> (1,882)
http://www.selleckchem.com/products/--p-Bromotetramisole-Oxalate.html

>  <CAS Number> (1,882)
62284-79-1

$$$$
AEBSF hydrochloride .cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,883)
2245

>  <Formula> (1,883)
C8H11ClFNO2S

>  <MolWeight> (1,883)
239.6948432

>  <Item Name> (1,883)
AEBSF HCl

>  <Catalog Number> (1,883)
S7378

>  <Synonyms> (1,883)
N/A

>  <Target> (1,883)
Serine Protease

>  <Form> (1,883)
Hydrochloride

>  <URL> (1,883)
http://www.selleckchem.com/products/aebsf-hcl.html

>  <CAS Number> (1,883)
30827-99-7

$$$$
MALT1 inhibitor.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,884)
2248

>  <Formula> (1,884)
C19H17Cl3N4O3

>  <MolWeight> (1,884)
455.72228

>  <Item Name> (1,884)
MI-2 (MALT1 inhibitor)

>  <Catalog Number> (1,884)
S7429

>  <Synonyms> (1,884)
N/A

>  <Target> (1,884)
MALT

>  <Form> (1,884)
Free Base

>  <URL> (1,884)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

>  <CAS Number> (1,884)
1047953-91-2

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,885)
2249

>  <Formula> (1,885)
C19H20F3IN2O5S

>  <MolWeight> (1,885)
572.3371796

>  <Item Name> (1,885)
Refametinib (RDEA119, Bay 86-9766)

>  <Catalog Number> (1,885)
S1089

>  <Synonyms> (1,885)
BAY 869766

>  <Target> (1,885)
MEK

>  <Form> (1,885)
Free Base

>  <URL> (1,885)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

>  <CAS Number> (1,885)
923032-37-5

$$$$
TAPI-1.cdx
csChFnd80/07171813082D

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Free Base

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http://www.selleckchem.com/products/leupeptin-hemisulfate.html

>  <CAS Number> (1,890)
103476-89-7

$$$$
Puromycin dihydrochloride.cdx
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>  <Synonyms> (1,891)
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>  <Target> (1,891)
Antifection

>  <Form> (1,891)
Dihydrochloride

>  <URL> (1,891)
http://www.selleckchem.com/products/Puromycin-2HCl.html

>  <CAS Number> (1,891)
58-58-2

$$$$
TMP269.cdx
csChFnd80/07171813082D

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HDAC

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http://www.selleckchem.com/products/tmp269.html

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1314890-29-3

$$$$
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http://www.selleckchem.com/products/bay-57-1293.html

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348086-71-5

$$$$
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csChFnd80/07171813082D

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HO-3867

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N/A

>  <Target> (1,898)
STAT

>  <Form> (1,898)
Free Base

>  <URL> (1,898)
http://www.selleckchem.com/products/ho-3867.html

>  <CAS Number> (1,898)
1172133-28-6

$$$$
Meclofenoxate HCl.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,899)
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C12H17Cl2NO3

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Meclofenoxate (Centrophenoxine) HCl

>  <Catalog Number> (1,899)
S4280

>  <Synonyms> (1,899)
N/A

>  <Target> (1,899)
Transferase

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Hydrochloride

>  <URL> (1,899)
http://www.selleckchem.com/products/meclofenoxate-centrophenoxine-hci.html

>  <CAS Number> (1,899)
3685-84-5

$$$$
GNE7915.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,900)
2265

>  <Formula> (1,900)
C19H21F4N5O3

>  <MolWeight> (1,900)
443.3953528

>  <Item Name> (1,900)
GNE-7915

>  <Catalog Number> (1,900)
S7528

>  <Synonyms> (1,900)
N/A

>  <Target> (1,900)
Others

>  <Form> (1,900)
Free Base

>  <URL> (1,900)
http://www.selleckchem.com/products/gne-7915.html

>  <CAS Number> (1,900)
1351761-44-8

$$$$
Pepstatin A.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,901)
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>  <Formula> (1,901)
C34H63N5O9

>  <MolWeight> (1,901)
685.89212

>  <Item Name> (1,901)
Pepstatin A

>  <Catalog Number> (1,901)
S7381

>  <Synonyms> (1,901)
N/A

>  <Target> (1,901)
HIV Protease

>  <Form> (1,901)
Free Base

>  <URL> (1,901)
http://www.selleckchem.com/products/pepstatin-a.html

>  <CAS Number> (1,901)
26305-03-3

$$$$
Ospemifene.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,902)
2267

>  <Formula> (1,902)
C24H23ClO2

>  <MolWeight> (1,902)
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>  <Item Name> (1,902)
Ospemifene

>  <Catalog Number> (1,902)
S4285

>  <Synonyms> (1,902)
N/A

>  <Target> (1,902)
Estrogen/progestogen Receptor

>  <Form> (1,902)
Free Base

>  <URL> (1,902)
http://www.selleckchem.com/products/ospemifene.html

>  <CAS Number> (1,902)
128607-22-7

$$$$
PD173955 .cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,903)
2269

>  <Formula> (1,903)
C21H18Cl2N4OS

>  <MolWeight> (1,903)
445.36482

>  <Item Name> (1,903)
PD173955

>  <Catalog Number> (1,903)
S7269

>  <Synonyms> (1,903)
N/A 

>  <Target> (1,903)
Bcr-Abl

>  <Form> (1,903)
Free Base

>  <URL> (1,903)
http://www.selleckchem.com/products/pd173955.html

>  <CAS Number> (1,903)
260415-63-2

$$$$
Nelfinavir mesylate .cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,904)
2270

>  <Formula> (1,904)
C33H49N3O7S2

>  <MolWeight> (1,904)
663.88806

>  <Item Name> (1,904)
Nelfinavir Mesylate

>  <Catalog Number> (1,904)
S4282

>  <Synonyms> (1,904)
N/A

>  <Target> (1,904)
HIV Protease

>  <Form> (1,904)
Mesylate

>  <URL> (1,904)
http://www.selleckchem.com/products/nelfinavir-mesylate.html

>  <CAS Number> (1,904)
159989-65-8

$$$$
Rilmenidine phosphate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,905)
2271

>  <Formula> (1,905)
C10H19N2O5P

>  <MolWeight> (1,905)
278.242021

>  <Item Name> (1,905)
Rilmenidine Phosphate

>  <Catalog Number> (1,905)
S7548

>  <Synonyms> (1,905)
N/A

>  <Target> (1,905)
Others

>  <Form> (1,905)
Phosphate

>  <URL> (1,905)
http://www.selleckchem.com/products/rilmenidine-phosphate.html

>  <CAS Number> (1,905)
85409-38-7

$$$$
Chloroprocaine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,906)
2272

>  <Formula> (1,906)
C13H20Cl2N2O2

>  <MolWeight> (1,906)
307.2161

>  <Item Name> (1,906)
Chloroprocaine HCl

>  <Catalog Number> (1,906)
S4284

>  <Synonyms> (1,906)
N/A

>  <Target> (1,906)
Sodium Channel

>  <Form> (1,906)
Hydrochloride

>  <URL> (1,906)
http://www.selleckchem.com/products/chloroprocaine-hci.html

>  <CAS Number> (1,906)
3858-89-7

$$$$
Carteolol hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,907)
2273

>  <Formula> (1,907)
C16H25ClN2O3

>  <MolWeight> (1,907)
328.8343

>  <Item Name> (1,907)
Carteolol HCl

>  <Catalog Number> (1,907)
S4278

>  <Synonyms> (1,907)
N/A

>  <Target> (1,907)
Adrenergic Receptor

>  <Form> (1,907)
Hydrochloride

>  <URL> (1,907)
http://www.selleckchem.com/products/carteolol-hci.html

>  <CAS Number> (1,907)
51781-21-6

$$$$
Demeclocycline hydrochloride.cdx
csChFnd80/07171813082D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,908)
2274

>  <Formula> (1,908)
C21H22Cl2N2O8

>  <MolWeight> (1,908)
501.31398

>  <Item Name> (1,908)
Demeclocycline HCl

>  <Catalog Number> (1,908)
S4279

>  <Synonyms> (1,908)
N/A

>  <Target> (1,908)
Antifection

>  <Form> (1,908)
Hydrochloride

>  <URL> (1,908)
http://www.selleckchem.com/products/demeclocycline-hci.html

>  <CAS Number> (1,908)
64-73-3

$$$$
Cyclobenzaprine HCl.cdx
csChFnd80/07171813082D

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M  CFW  17 B_NG_STER 2
M  END
>  <Mol_ID> (1,909)
2275

>  <Formula> (1,909)
C20H22ClN

>  <MolWeight> (1,909)
311.84838

>  <Item Name> (1,909)
Cyclobenzaprine HCl

>  <Catalog Number> (1,909)
S4283

>  <Synonyms> (1,909)
N/A

>  <Target> (1,909)
5-HT Receptor

>  <Form> (1,909)
Hydrochloride

>  <URL> (1,909)
http://www.selleckchem.com/products/cyclobenzaprine-hci.html

>  <CAS Number> (1,909)
6202-23-9

$$$$
BAY 87-2243.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,910)
2276

>  <Formula> (1,910)
C26H26F3N7O2

>  <MolWeight> (1,910)
525.5255496

>  <Item Name> (1,910)
BAY 87-2243

>  <Catalog Number> (1,910)
S7309

>  <Synonyms> (1,910)
N/A

>  <Target> (1,910)
HIF

>  <Form> (1,910)
Free Base

>  <URL> (1,910)
http://www.selleckchem.com/products/bay-87-2243.html

>  <CAS Number> (1,910)
1227158-85-1

$$$$
SB-3CT.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,911)
2277

>  <Formula> (1,911)
C15H14O3S2

>  <MolWeight> (1,911)
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SB-3CT

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>  <Synonyms> (1,911)
N/A

>  <Target> (1,911)
MMP

>  <Form> (1,911)
Free Base

>  <URL> (1,911)
http://www.selleckchem.com/products/sb-3ct.html

>  <CAS Number> (1,911)
292605-14-2

$$$$
Anidulafungin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,912)
2278

>  <Formula> (1,912)
C58H73N7O17

>  <MolWeight> (1,912)
1140.23692

>  <Item Name> (1,912)
Anidulafungin (LY303366)

>  <Catalog Number> (1,912)
S4286

>  <Synonyms> (1,912)
N/A

>  <Target> (1,912)
Antifection

>  <Form> (1,912)
Free Base

>  <URL> (1,912)
http://www.selleckchem.com/products/anidulafungin-ly303366.html

>  <CAS Number> (1,912)
166663-25-8

$$$$
Chloroambucil.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,913)
2279

>  <Formula> (1,913)
C14H19Cl2NO2

>  <MolWeight> (1,913)
304.21216

>  <Item Name> (1,913)
Chloroambucil

>  <Catalog Number> (1,913)
S4288

>  <Synonyms> (1,913)
Chlorambucil

>  <Target> (1,913)
DNA/RNA Synthesis

>  <Form> (1,913)
Free Base

>  <URL> (1,913)
http://www.selleckchem.com/products/chloroambucil.html

>  <CAS Number> (1,913)
305-03-3

$$$$
Bambuterol HCl.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,914)
2280

>  <Formula> (1,914)
C18H30ClN3O5

>  <MolWeight> (1,914)
403.9009

>  <Item Name> (1,914)
Bambuterol HCl

>  <Catalog Number> (1,914)
S4277

>  <Synonyms> (1,914)
N/A

>  <Target> (1,914)
Adrenergic Receptor

>  <Form> (1,914)
Hydrochloride

>  <URL> (1,914)
http://www.selleckchem.com/products/bambuterol-hci.html

>  <CAS Number> (1,914)
81732-46-9

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/07171813082D

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2281

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C16H21ClIN3O4S

>  <MolWeight> (1,915)
513.77811

>  <Item Name> (1,915)
K-Ras(G12C) inhibitor 9

>  <Catalog Number> (1,915)
S7332

>  <Synonyms> (1,915)
N/A

>  <Target> (1,915)
Rho

>  <Form> (1,915)
Free Base

>  <URL> (1,915)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

>  <CAS Number> (1,915)
1469337-91-4

$$$$
SH-4-54.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,916)
2282

>  <Formula> (1,916)
C29H27F5N2O5S

>  <MolWeight> (1,916)
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>  <Item Name> (1,916)
SH-4-54

>  <Catalog Number> (1,916)
S7337

>  <Synonyms> (1,916)
N/A

>  <Target> (1,916)
STAT

>  <Form> (1,916)
Free Base

>  <URL> (1,916)
http://www.selleckchem.com/products/sh-4-54.html

>  <CAS Number> (1,916)
1456632-40-8

$$$$
Promethazine hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,917)
2283

>  <Formula> (1,917)
C17H21ClN2S

>  <MolWeight> (1,917)
320.88004

>  <Item Name> (1,917)
Promethazine HCl

>  <Catalog Number> (1,917)
S4293

>  <Synonyms> (1,917)
N/A

>  <Target> (1,917)
Histamine Receptor

>  <Form> (1,917)
Hydrochloride

>  <URL> (1,917)
http://www.selleckchem.com/products/promethazine-hcl.html

>  <CAS Number> (1,917)
58-33-3

$$$$
GDC0994.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,918)
2284

>  <Formula> (1,918)
C21H18ClFN6O2

>  <MolWeight> (1,918)
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>  <Item Name> (1,918)
GDC-0994

>  <Catalog Number> (1,918)
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>  <Synonyms> (1,918)
N/A

>  <Target> (1,918)
ERK

>  <Form> (1,918)
Free Base

>  <URL> (1,918)
http://www.selleckchem.com/products/gdc-0994.html

>  <CAS Number> (1,918)
1453848-26-4

$$$$
MetoclopraMide HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,919)
2285

>  <Formula> (1,919)
C14H23Cl2N3O2

>  <MolWeight> (1,919)
336.25732

>  <Item Name> (1,919)
MetoclopraMide HCl

>  <Catalog Number> (1,919)
S4289

>  <Synonyms> (1,919)
N/A

>  <Target> (1,919)
Dopamine Receptor

>  <Form> (1,919)
Hydrochloride

>  <URL> (1,919)
http://www.selleckchem.com/products/metoclopramide-hcl.html

>  <CAS Number> (1,919)
7232-21-5

$$$$
Micafungin sodium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,920)
2286

>  <Formula> (1,920)
C56H70N9NaO23S

>  <MolWeight> (1,920)
1292.25627

>  <Item Name> (1,920)
Micafungin Sodium

>  <Catalog Number> (1,920)
S4287

>  <Synonyms> (1,920)
FK463 Sodium

>  <Target> (1,920)
Antifection

>  <Form> (1,920)
Sodium Salt

>  <URL> (1,920)
http://www.selleckchem.com/products/micafungin-sodium.html

>  <CAS Number> (1,920)
208538-73-2

$$$$
Zotarolimus.cdx
csChFnd80/07171813082D

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WH-4-023

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KIN001-112

>  <Target> (1,925)
Src

>  <Form> (1,925)
Free Base

>  <URL> (1,925)
http://www.selleckchem.com/products/wh-4-023.html

>  <CAS Number> (1,925)
837422-57-8

$$$$
N6022.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,926)
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>  <Formula> (1,926)
C24H22N4O3

>  <MolWeight> (1,926)
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>  <Synonyms> (1,926)
N/A

>  <Target> (1,926)
Others

>  <Form> (1,926)
Free Base

>  <URL> (1,926)
http://www.selleckchem.com/products/n6022.html

>  <CAS Number> (1,926)
1208315-24-5

$$$$
Diphenidol hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,927)
2293

>  <Formula> (1,927)
C21H28ClNO

>  <MolWeight> (1,927)
345.90612

>  <Item Name> (1,927)
Diphenidol HCl

>  <Catalog Number> (1,927)
S4292

>  <Synonyms> (1,927)
N/A

>  <Target> (1,927)
AChR

>  <Form> (1,927)
Hydrochloride

>  <URL> (1,927)
http://www.selleckchem.com/products/diphenidol-hcl.html

>  <CAS Number> (1,927)
3254-89-5

$$$$
Phosphoramidon disodium salt.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,928)
2294

>  <Formula> (1,928)
C23H34N3Na2O10P

>  <MolWeight> (1,928)
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>  <Item Name> (1,928)
Phosphoramidon Disodium Salt

>  <Catalog Number> (1,928)
S7382

>  <Synonyms> (1,928)
N/A

>  <Target> (1,928)
Others

>  <Form> (1,928)
Disodium Salt

>  <URL> (1,928)
http://www.selleckchem.com/products/phosphoramidon-disodium-salt.html

>  <CAS Number> (1,928)
164204-38-0

$$$$
Digoxin .cdx
csChFnd80/07171813082D

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C41H64O14

>  <MolWeight> (1,929)
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Digoxin

>  <Catalog Number> (1,929)
S4290

>  <Synonyms> (1,929)
N/A

>  <Target> (1,929)
Sodium Channel

>  <Form> (1,929)
Free Base

>  <URL> (1,929)
http://www.selleckchem.com/products/digoxin.html

>  <CAS Number> (1,929)
20830-75-5

$$$$
Dicoumarol.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,930)
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>  <Formula> (1,930)
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>  <MolWeight> (1,930)
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>  <Item Name> (1,930)
Dicoumarol

>  <Catalog Number> (1,930)
S4299

>  <Synonyms> (1,930)
Dicumarol

>  <Target> (1,930)
Others

>  <Form> (1,930)
Free Base

>  <URL> (1,930)
http://www.selleckchem.com/products/dicoumarol.html

>  <CAS Number> (1,930)
66-76-2

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/07171813082D

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2297

>  <Formula> (1,931)
C19H17NO3

>  <MolWeight> (1,931)
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>  <Item Name> (1,931)
SF1670 (PTEN inhibitor)

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N/A

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PTEN

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Free Base

>  <URL> (1,931)
http://www.selleckchem.com/products/sf1670.html

>  <CAS Number> (1,931)
345630-40-2

$$$$
IM-12.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,932)
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C22H20FN3O2

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IM-12

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S7566

>  <Synonyms> (1,932)
N/A

>  <Target> (1,932)
GSK-3

>  <Form> (1,932)
Free Base

>  <URL> (1,932)
http://www.selleckchem.com/products/im-12.html

>  <CAS Number> (1,932)
1129669-05-1

$$$$
Procainamide hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,933)
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>  <Formula> (1,933)
C13H22ClN3O

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Procainamide HCl

>  <Catalog Number> (1,933)
S4294

>  <Synonyms> (1,933)
N/A

>  <Target> (1,933)
Sodium Channel

>  <Form> (1,933)
Hydrochloride

>  <URL> (1,933)
http://www.selleckchem.com/products/procainamide-hcl.html

>  <CAS Number> (1,933)
614-39-1

$$$$
Labetalol hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,934)
2300

>  <Formula> (1,934)
C19H25ClN2O3

>  <MolWeight> (1,934)
364.8664

>  <Item Name> (1,934)
Labetalol HCl

>  <Catalog Number> (1,934)
S4291

>  <Synonyms> (1,934)
N/A

>  <Target> (1,934)
Adrenergic Receptor

>  <Form> (1,934)
Hydrochloride

>  <URL> (1,934)
http://www.selleckchem.com/products/labetalol-hcl.html

>  <CAS Number> (1,934)
32780-64-6

$$$$
deltarasin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,935)
2301

>  <Formula> (1,935)
C40H37N5O

>  <MolWeight> (1,935)
603.75468

>  <Item Name> (1,935)
Deltarasin

>  <Catalog Number> (1,935)
S7224

>  <Synonyms> (1,935)
N/A

>  <Target> (1,935)
PDE

>  <Form> (1,935)
Free Base

>  <URL> (1,935)
http://www.selleckchem.com/products/deltarasin.html

>  <CAS Number> (1,935)
1440898-61-2

$$$$
 Optovin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,936)
2302

>  <Formula> (1,936)
C15H13N3OS2

>  <MolWeight> (1,936)
315.41322

>  <Item Name> (1,936)
Optovin

>  <Catalog Number> (1,936)
S8073

>  <Synonyms> (1,936)
N/A

>  <Target> (1,936)
Calcium Channel

>  <Form> (1,936)
Free Base

>  <URL> (1,936)
http://www.selleckchem.com/products/optovin.html

>  <CAS Number> (1,936)
348575-88-2

$$$$
Amifostine .cdx
csChFnd80/07171813082D

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   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
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  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> (1,937)
2303

>  <Formula> (1,937)
C5H21N2O6PS

>  <MolWeight> (1,937)
268.268801

>  <Item Name> (1,937)
Amifostine

>  <Catalog Number> (1,937)
S4298

>  <Synonyms> (1,937)
N/A

>  <Target> (1,937)
Others

>  <Form> (1,937)
Trihydrate

>  <URL> (1,937)
http://www.selleckchem.com/products/amifostine.html

>  <CAS Number> (1,937)
112901-68-5

$$$$
Meclofenamate sodium.cdx
csChFnd80/07171813082D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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  8  9  2  0  0  0  0
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 13  8  1  0  0  0  0
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 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> (1,938)
2304

>  <Formula> (1,938)
C14H10Cl2NNaO2

>  <MolWeight> (1,938)
318.13047

>  <Item Name> (1,938)
Meclofenamate sodium

>  <Catalog Number> (1,938)
S4295

>  <Synonyms> (1,938)
N/A

>  <Target> (1,938)
COX

>  <Form> (1,938)
Sodium Salt

>  <URL> (1,938)
http://www.selleckchem.com/products/meclofenamate-sodium.html

>  <CAS Number> (1,938)
6385-02-0

$$$$
Mefloquine hydrochloride.cdx
csChFnd80/07171813082D

 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
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    0.1630    5.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3908    7.6515    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
  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
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  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> (1,939)
2305

>  <Formula> (1,939)
C17H17ClF6N2O

>  <MolWeight> (1,939)
414.7730992

>  <Item Name> (1,939)
Mefloquine HCl

>  <Catalog Number> (1,939)
S4420

>  <Synonyms> (1,939)
N/A

>  <Target> (1,939)
Antifection

>  <Form> (1,939)
Hydrochloride

>  <URL> (1,939)
http://www.selleckchem.com/products/mefloquine-hcl.html

>  <CAS Number> (1,939)
51773-92-3

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/07171813082D

 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
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    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
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    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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 19 20  2  0  0  0  0
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 21 16  1  0  0  0  0
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 23 24  1  0  0  0  0
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 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> (1,940)
2306

>  <Formula> (1,940)
C20H18FN5O2

>  <MolWeight> (1,940)
379.3876232

>  <Item Name> (1,940)
HSP990 (NVP-HSP990)

>  <Catalog Number> (1,940)
S7097

>  <Synonyms> (1,940)
N/A

>  <Target> (1,940)
HSP (e.g. HSP90)

>  <Form> (1,940)
Free Base

>  <URL> (1,940)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

>  <CAS Number> (1,940)
934343-74-5

$$$$
Aliskiren hemifumarate.cdx
csChFnd80/07171813082D

 86 85  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,941)
2308

>  <Formula> (1,941)
C64H110N6O16

>  <MolWeight> (1,941)
1219.5888

>  <Item Name> (1,941)
Aliskiren Hemifumarate

>  <Catalog Number> (1,941)
S2199

>  <Synonyms> (1,941)
N/A

>  <Target> (1,941)
RAAS

>  <Form> (1,941)
fumarate salt

>  <URL> (1,941)
http://www.selleckchem.com/products/Aliskiren-hemifumarate.html

>  <CAS Number> (1,941)
173334-58-2

$$$$
Bepotastine besilate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,942)
2309

>  <Formula> (1,942)
C27H31ClN2O6S

>  <MolWeight> (1,942)
547.06284

>  <Item Name> (1,942)
Bepotastine Besilate

>  <Catalog Number> (1,942)
S3037

>  <Synonyms> (1,942)
N/A

>  <Target> (1,942)
Histamine Receptor

>  <Form> (1,942)
Besilate salt

>  <URL> (1,942)
http://www.selleckchem.com/products/bepotastine-besilate.html

>  <CAS Number> (1,942)
190786-44-8

$$$$
Biapenem.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,943)
2310

>  <Formula> (1,943)
C15H18N4O4S

>  <MolWeight> (1,943)
350.39282

>  <Item Name> (1,943)
Biapenem

>  <Catalog Number> (1,943)
S1370

>  <Synonyms> (1,943)
L-627, LJC10627

>  <Target> (1,943)
Antifection

>  <Form> (1,943)
Free Base

>  <URL> (1,943)
http://www.selleckchem.com/products/Biapenem.html

>  <CAS Number> (1,943)
120410-24-4

$$$$
Caspofungin acetate.cdx
csChFnd80/07171813082D

 90 91  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,944)
2312

>  <Formula> (1,944)
C56H96N10O19

>  <MolWeight> (1,944)
1213.41704

>  <Item Name> (1,944)
Caspofungin Acetate

>  <Catalog Number> (1,944)
S3073

>  <Synonyms> (1,944)
N/A

>  <Target> (1,944)
Antifection

>  <Form> (1,944)
diacetate

>  <URL> (1,944)
http://www.selleckchem.com/products/caspofungin-acetate.html

>  <CAS Number> (1,944)
179463-17-3

$$$$
Daptomycin.cdx
csChFnd80/07171813082D

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M  END
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>  <Formula> (1,945)
C72H101N17O26

>  <MolWeight> (1,945)
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>  <Item Name> (1,945)
Daptomycin

>  <Catalog Number> (1,945)
S1373

>  <Synonyms> (1,945)
LY146032

>  <Target> (1,945)
Others

>  <Form> (1,945)
Free Base

>  <URL> (1,945)
http://www.selleckchem.com/products/Daptomycin.html

>  <CAS Number> (1,945)
103060-53-3

$$$$
Doripenem Hydrate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,946)
2314

>  <Formula> (1,946)
C15H26N4O7S2

>  <MolWeight> (1,946)
438.51954

>  <Item Name> (1,946)
Doripenem Hydrate

>  <Catalog Number> (1,946)
S1374

>  <Synonyms> (1,946)
S-4661

>  <Target> (1,946)
Antifection

>  <Form> (1,946)
Hydrate

>  <URL> (1,946)
http://www.selleckchem.com/products/Doripenem-Hydrate.html

>  <CAS Number> (1,946)
364622-82-2

$$$$
Fesoterodine fumarate.cdx
csChFnd80/07171813082D

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2315

>  <Formula> (1,947)
C30H41NO7

>  <MolWeight> (1,947)
527.64904

>  <Item Name> (1,947)
Fesoterodine Fumarate

>  <Catalog Number> (1,947)
S2240

>  <Synonyms> (1,947)
N/A

>  <Target> (1,947)
AChR

>  <Form> (1,947)
Fumarate

>  <URL> (1,947)
http://www.selleckchem.com/products/Fesoterodine-fumarate-Toviaz.html

>  <CAS Number> (1,947)
286930-03-8

$$$$
Fosaprepitant dimeglumine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,948)
2316

>  <Formula> (1,948)
C37H56F7N6O16P

>  <MolWeight> (1,948)
1004.8337234

>  <Item Name> (1,948)
Fosaprepitant dimeglumine salt

>  <Catalog Number> (1,948)
S3038

>  <Synonyms> (1,948)
MK-0517

>  <Target> (1,948)
Others

>  <Form> (1,948)
dimeglumine salt

>  <URL> (1,948)
http://www.selleckchem.com/products/fosaprepitant.html

>  <CAS Number> (1,948)
265121-04-8

$$$$
INVEGA (paliperidone).cdx
csChFnd80/07171813082D

 31 35  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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M  END
>  <Mol_ID> (1,949)
2317

>  <Formula> (1,949)
C23H27FN4O3

>  <MolWeight> (1,949)
426.4838832

>  <Item Name> (1,949)
Paliperidone

>  <Catalog Number> (1,949)
S1724

>  <Synonyms> (1,949)
N/A

>  <Target> (1,949)
Dopamine Receptor

>  <Form> (1,949)
Free Base

>  <URL> (1,949)
http://www.selleckchem.com/products/Paliperidone(Invega).html

>  <CAS Number> (1,949)
144598-75-4

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/07171813082D

 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
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 24 30  1  0  0  0  0
 16 31  1  6  0  0  0
M  END
>  <Mol_ID> (1,950)
2319

>  <Formula> (1,950)
C22H26ClF2NO4

>  <MolWeight> (1,950)
441.8959464

>  <Item Name> (1,950)
Nebivolol HCl

>  <Catalog Number> (1,950)
S1549

>  <Synonyms> (1,950)
N/A

>  <Target> (1,950)
Adrenergic Receptor

>  <Form> (1,950)
Hydrochloride

>  <URL> (1,950)
http://www.selleckchem.com/products/Nebivolol(Bystolic).html

>  <CAS Number> (1,950)
152520-56-4

$$$$
Ouabain Octahydrate.cdx
csChFnd80/07171813082D

 51 48  0  0  0  0  0  0  0  0999 V2000
    9.0948    4.5316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,951)
2320

>  <Formula> (1,951)
C29H60O20

>  <MolWeight> (1,951)
728.7747

>  <Item Name> (1,951)
Ouabain

>  <Catalog Number> (1,951)
S4016

>  <Synonyms> (1,951)
N/A

>  <Target> (1,951)
Sodium Channel

>  <Form> (1,951)
Free Base

>  <URL> (1,951)
http://www.selleckchem.com/products/ouabain.html

>  <CAS Number> (1,951)
630-60-4

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,952)
2321

>  <Formula> (1,952)
C44H69NO12

>  <MolWeight> (1,952)
804.01816

>  <Item Name> (1,952)
Tacrolimus (FK506)

>  <Catalog Number> (1,952)
S5003

>  <Synonyms> (1,952)
FR900506

>  <Target> (1,952)
mTOR

>  <Form> (1,952)
Free Base

>  <URL> (1,952)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

>  <CAS Number> (1,952)
104987-11-3

$$$$
Rosuvastatin calcium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,953)
2322

>  <Formula> (1,953)
C44H54CaF2N6O12S2

>  <MolWeight> (1,953)
1001.1373664

>  <Item Name> (1,953)
Rosuvastatin Calcium

>  <Catalog Number> (1,953)
S2169

>  <Synonyms> (1,953)
ZD4522

>  <Target> (1,953)
HMG-CoA Reductase

>  <Form> (1,953)
Calcium salt

>  <URL> (1,953)
http://www.selleckchem.com/products/Rosuvastatin-calcium(Crestor).html

>  <CAS Number> (1,953)
147098-20-2

$$$$
R-Ruxolitinib.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,954)
2323

>  <Formula> (1,954)
C17H18N6

>  <MolWeight> (1,954)
306.36502

>  <Item Name> (1,954)
Ruxolitinib (INCB018424)

>  <Catalog Number> (1,954)
S1378

>  <Synonyms> (1,954)
N/A

>  <Target> (1,954)
JAK

>  <Form> (1,954)
Free Base

>  <URL> (1,954)
http://www.selleckchem.com/products/INCB18424.html

>  <CAS Number> (1,954)
941678-49-5

$$$$
Teicoplanin.cdx
csChFnd80/07171813082D

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A   35
R
A  185
?R:?
M  END
>  <Mol_ID> (1,955)
2324

>  <Formula> (1,955)
C135H190Cl2N9O37R2

>  <MolWeight> (1,955)
2601.8972

>  <Item Name> (1,955)
Teicoplanin

>  <Catalog Number> (1,955)
S1399

>  <Synonyms> (1,955)
Teichomycin

>  <Target> (1,955)
Antifection

>  <Form> (1,955)
Free Base

>  <URL> (1,955)
http://www.selleckchem.com/products/Teicoplanin.html

>  <CAS Number> (1,955)
61036-62-2

$$$$
Temsirolimus.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,960)
2329

>  <Formula> (1,960)
C28H24Cl2FN5O2

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>  <Catalog Number> (1,960)
S7355

>  <Synonyms> (1,960)
N/A

>  <Target> (1,960)
Kinesin

>  <Form> (1,960)
Free Base

>  <URL> (1,960)
http://www.selleckchem.com/products/arq-621.html

>  <CAS Number> (1,960)
1095253-39-6

$$$$
Sabutoclax(BI-97C1).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,961)
2330

>  <Formula> (1,961)
C42H40N2O8

>  <MolWeight> (1,961)
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>  <Item Name> (1,961)
Sabutoclax

>  <Catalog Number> (1,961)
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>  <Synonyms> (1,961)
BI-97C1

>  <Target> (1,961)
Bcl-2

>  <Form> (1,961)
Free Base

>  <URL> (1,961)
http://www.selleckchem.com/products/sabutoclax.html

>  <CAS Number> (1,961)
1228108-65-3

$$$$
Lomitapide.cdx
csChFnd80/07171813082D

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210344-95-9

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150824-47-8

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Antifection

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Free Base

>  <URL> (1,971)
http://www.selleckchem.com/products/erythromycin-cyclocarbonate.html

>  <CAS Number> (1,971)
55224-05-0

$$$$
PF-04449913.cdx
csChFnd80/07171813082D

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2341

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>  <MolWeight> (1,972)
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Glasdegib (PF-04449913)

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N/A

>  <Target> (1,972)
Hedgehog/Smoothened

>  <Form> (1,972)
Free Base

>  <URL> (1,972)
http://www.selleckchem.com/products/glasdegib-pf-04449913.html

>  <CAS Number> (1,972)
1095173-27-5

$$$$
LCL161.cdx
csChFnd80/07171813082D

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>  <Synonyms> (1,973)
N/A

>  <Target> (1,973)
IAP

>  <Form> (1,973)
Free Base

>  <URL> (1,973)
http://www.selleckchem.com/products/lcl161.html

>  <CAS Number> (1,973)
1005342-46-0

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/07171813082D

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2343

>  <Formula> (1,974)
C15H17ClIN3O3

>  <MolWeight> (1,974)
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K-Ras(G12C) inhibitor 12

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S7331

>  <Synonyms> (1,974)
N/A

>  <Target> (1,974)
Rho

>  <Form> (1,974)
Free Base

>  <URL> (1,974)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

>  <CAS Number> (1,974)
1469337-95-8

$$$$
Tasquinimod .cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,975)
2344

>  <Formula> (1,975)
C20H17F3N2O4

>  <MolWeight> (1,975)
406.3551896

>  <Item Name> (1,975)
Tasquinimod

>  <Catalog Number> (1,975)
S7617

>  <Synonyms> (1,975)
ABR-215050

>  <Target> (1,975)
HDAC

>  <Form> (1,975)
Free Base

>  <URL> (1,975)
http://www.selleckchem.com/products/tasquinimod.html

>  <CAS Number> (1,975)
254964-60-8

$$$$
AGK 2.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,976)
2345

>  <Formula> (1,976)
C23H13Cl2N3O2

>  <MolWeight> (1,976)
434.27422

>  <Item Name> (1,976)
AGK2

>  <Catalog Number> (1,976)
S7577

>  <Synonyms> (1,976)
N/A

>  <Target> (1,976)
Sirtuin

>  <Form> (1,976)
Free Base

>  <URL> (1,976)
http://www.selleckchem.com/products/agk2.html

>  <CAS Number> (1,976)
304896-28-4

$$$$
Anacardic Acid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,977)
2346

>  <Formula> (1,977)
C22H36O3

>  <MolWeight> (1,977)
348.51944

>  <Item Name> (1,977)
Anacardic Acid

>  <Catalog Number> (1,977)
S7582

>  <Synonyms> (1,977)
6-pentadecylsalicylic Acid

>  <Target> (1,977)
Histone Acetyltransferase

>  <Form> (1,977)
Free Base

>  <URL> (1,977)
http://www.selleckchem.com/products/anacardic-acid.html

>  <CAS Number> (1,977)
16611-84-0

$$$$
Abscisic acid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,978)
2347

>  <Formula> (1,978)
C15H20O4

>  <MolWeight> (1,978)
264.3169

>  <Item Name> (1,978)
Abscisic Acid (Dormin)

>  <Catalog Number> (1,978)
S7594

>  <Synonyms> (1,978)
Abscisin II

>  <Target> (1,978)
Others

>  <Form> (1,978)
Free Base

>  <URL> (1,978)
http://www.selleckchem.com/products/abscisic-acid-dormin.html

>  <CAS Number> (1,978)
21293-29-8

$$$$
Salmeterol xinafoate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (1,979)
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>  <Formula> (1,979)
C36H45NO7

>  <MolWeight> (1,979)
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>  <Item Name> (1,979)
Salmeterol Xinafoate

>  <Catalog Number> (1,979)
S4296

>  <Synonyms> (1,979)
N/A

>  <Target> (1,979)
Adrenergic Receptor

>  <Form> (1,979)
xinafoate

>  <URL> (1,979)
http://www.selleckchem.com/products/salmeterol-xinafoate.html

>  <CAS Number> (1,979)
94749-08-3

$$$$
GNF5837.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,980)
2349

>  <Formula> (1,980)
C28H21F4N5O2

>  <MolWeight> (1,980)
535.4922528

>  <Item Name> (1,980)
GNF-5837

>  <Catalog Number> (1,980)
S7519

>  <Synonyms> (1,980)
N/A

>  <Target> (1,980)
Trk receptor

>  <Form> (1,980)
Free Base

>  <URL> (1,980)
http://www.selleckchem.com/products/gnf-5837.html

>  <CAS Number> (1,980)
1033769-28-6

$$$$
PD128907.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,981)
2350

>  <Formula> (1,981)
C14H20ClNO3

>  <MolWeight> (1,981)
285.7665

>  <Item Name> (1,981)
PD128907 HCl

>  <Catalog Number> (1,981)
S2168

>  <Synonyms> (1,981)
PD128907

>  <Target> (1,981)
Dopamine Receptor

>  <Form> (1,981)
Hydrochloride

>  <URL> (1,981)
http://www.selleckchem.com/products/PD-128907.html

>  <CAS Number> (1,981)
112960-16-4

$$$$
WS6 .cdx
csChFnd80/07171813082D

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>  <Mol_ID> (1,982)
2351

>  <Formula> (1,982)
C29H31F3N6O3

>  <MolWeight> (1,982)
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>  <Item Name> (1,982)
WS6

>  <Catalog Number> (1,982)
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>  <Synonyms> (1,982)
N/A

>  <Target> (1,982)
I¦ÊB/IKK

>  <Form> (1,982)
Free Base

>  <URL> (1,982)
http://www.selleckchem.com/products/ws6.html

>  <CAS Number> (1,982)
1421227-53-3

$$$$
MG 101.cdx
csChFnd80/07171813082D

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Bcl-2

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Free Base

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http://www.selleckchem.com/products/umi-77.html

>  <CAS Number> (1,987)
518303-20-3

$$$$
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PFI-2 HCl

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>  <Synonyms> (1,988)
N/A

>  <Target> (1,988)
Histone Methyltransferase

>  <Form> (1,988)
Hydrochloride

>  <URL> (1,988)
http://www.selleckchem.com/products/pfi-2.html

>  <CAS Number> (1,988)
1627676-59-8

$$$$
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MI-3 (Menin-MLL Inhibitor)

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>  <Synonyms> (1,989)
N/A

>  <Target> (1,989)
Histone Methyltransferase

>  <Form> (1,989)
Free Base

>  <URL> (1,989)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

>  <CAS Number> (1,989)
1271738-59-0

$$$$
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csChFnd80/07171813082D

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AChR

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http://www.selleckchem.com/products/ly2119620.html

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886047-22-9

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Histone Acetyltransferase

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hydrochloride salt

>  <URL> (1,991)
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>  <CAS Number> (1,991)
1622921-15-6

$$$$
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    8.7741    3.8522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1284    4.2070    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4745    3.8522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7746    5.0646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4202    4.7099    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0741    2.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4908    2.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7202    5.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7202    7.3223    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.0725    6.2847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8268    4.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0392    4.9145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7392    3.7021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0936    4.0569    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.4397    3.7021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7398    4.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3853    4.5598    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0392    2.4896    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292    1.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0493    1.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6869    2.8520    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.3954    5.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3954    6.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0431    7.3121    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   16.4559    2.7046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8183    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.8317    0.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1659    0.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1806    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.7919    4.0644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7819    5.0544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.4819    3.8419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8362    4.1968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.1823    3.8419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.4824    5.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1280    4.6997    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.2695    3.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1280    6.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4803    6.4620    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   20.0212    6.9490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8262    3.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4638    1.8545    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   23.4503    0.8680    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   21.1162    1.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8114    2.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3948    4.5419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6072    5.2419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.3072    4.0295    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.6615    4.3843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   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
   26.9533    4.8872    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.0948    3.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0239    3.0320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6615    1.6797    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   26.3139    1.3186    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   28.6480    0.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6750    2.6662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2533    6.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2533    7.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2633    8.4896    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.2734    9.4796    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   26.4758    9.1896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0509    7.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3599    4.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5227    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   30.9167    4.2102    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  1  0  0  0
  4  3  1  1  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
  7  8  1  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
 11 14  2  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  6  0  0  0
  4 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  1  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 18  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 21 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 35 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 32 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  2  0  0  0  0
 44 47  1  0  0  0  0
 33 48  1  6  0  0  0
 48 49  1  0  0  0  0
 49 50  1  1  0  0  0
 50 51  1  1  0  0  0
 52 51  1  1  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 49  1  0  0  0  0
 50 55  1  0  0  0  0
 54 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  2  0  0  0  0
 51 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 60 62  2  0  0  0  0
 60 63  2  0  0  0  0
 52 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  1  1  0  0  0
 67 66  1  1  0  0  0
 68 67  1  1  0  0  0
 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
 70 65  1  0  0  0  0
 66 71  1  0  0  0  0
 67 72  1  0  0  0  0
 72 73  1  0  0  0  0
 73 74  1  0  0  0  0
 73 75  2  0  0  0  0
 73 76  2  0  0  0  0
 70 77  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  1  0  0  0  0
 79 80  1  0  0  0  0
 79 81  2  0  0  0  0
 79 82  2  0  0  0  0
 68 83  1  0  0  0  0
A   16
R
A   42
R
A   84
*
A   85
*
M  END
>  <Mol_ID> (1,996)
2365

>  <Formula> (1,996)
C33H47N3O39R4S6-8

>  <MolWeight> (1,996)
1302.11298

>  <Item Name> (1,996)
Heparin sodium

>  <Catalog Number> (1,996)
S1346

>  <Synonyms> (1,996)
N/A

>  <Target> (1,996)
Others

>  <Form> (1,996)
Sodium salt

>  <URL> (1,996)
http://www.selleckchem.com/products/Heparin-sodium.html

>  <CAS Number> (1,996)
9041-08-1

$$$$
Nedaplatin.cdx
csChFnd80/07171813082D
CFW_RXN
  8  6  0  0  0  0  0  0  0  0999 V2000
    3.1062    1.0404    0.0000 Pt  0  0  0  0  0  0  0  5  2  0  0  0
    2.4062    2.2528    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    1.0368    1.9618    0.0000 C   0  0  0  0  0  0  0  5  2  0  0  0
    0.8905    0.5694    0.0000 C   0  0  0  0  0  0  0  5  2  0  0  0
    2.1694    0.0000    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    0.0000    2.8953    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    6.5243    3.4968    0.0000 R   0  0  0  0  0  0  0  1  1  1  0  0
    6.5243    0.0697    0.0000 R   0  0  0  0  0  0  0  2  3  1  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
  3  6  2  0  0  0  0
A    7
;H3N
A    8
;H3N
M  END
>  <Mol_ID> (1,997)
2366

>  <Formula> (1,997)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (1,997)
269.11348

>  <Item Name> (1,997)
Nedaplatin

>  <Catalog Number> (1,997)
S1826

>  <Synonyms> (1,997)
N/A

>  <Target> (1,997)
DNA/RNA Synthesis

>  <Form> (1,997)
Free Base

>  <URL> (1,997)
http://www.selleckchem.com/products/nedaplatin-aqupla.html

>  <CAS Number> (1,997)
95734-82-0

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/07171813082D

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    3.5666   10.9845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   11.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6992   12.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3298   13.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6298   12.0249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.8564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.6613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3157    6.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    7.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9635    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1760    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3842    1.3976    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  1  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
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 12  7  1  0  0  0  0
  4 13  1  0  0  0  0
  9 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 14  1  0  0  0  0
 17 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  6  0  0  0
 29 33  1  0  0  0  0
 29 34  2  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 31 38  1  6  0  0  0
M  END
>  <Mol_ID> (1,998)
2367

>  <Formula> (1,998)
C25H31N7O6

>  <MolWeight> (1,998)
525.55694

>  <Item Name> (1,998)
ENMD-2076 L-(+)-Tartaric acid

>  <Catalog Number> (1,998)
S2018

>  <Synonyms> (1,998)
N/A

>  <Target> (1,998)
FLT3

>  <Form> (1,998)
Free Base

>  <URL> (1,998)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

>  <CAS Number> (1,998)
1291074-87-7

$$$$
Tubacin.cdx
csChFnd80/07171813082D

 52 57  0  0  0  0  0  0  0  0999 V2000
    9.9917    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9917    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2041    6.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4165    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4165    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2041    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6248    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2041    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7834    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2041    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,008)
2378

>  <Formula> (2,008)
C30H30Cl2N4O4

>  <MolWeight> (2,008)
581.4896

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Nutlin-3b

>  <Catalog Number> (2,008)
S8065

>  <Synonyms> (2,008)
(+)-Nutlin-3

>  <Target> (2,008)
Mdm2

>  <Form> (2,008)
Free Base

>  <URL> (2,008)
http://www.selleckchem.com/products/nutlin-3b.html

>  <CAS Number> (2,008)
675576-97-3

$$$$
Disopyramide Phosphate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,009)
2380

>  <Formula> (2,009)
C21H32N3O5P

>  <MolWeight> (2,009)
437.469641

>  <Item Name> (2,009)
Pentoxyverine Citrate

>  <Catalog Number> (2,009)
S4143

>  <Synonyms> (2,009)
Carbetapentane Citrate

>  <Target> (2,009)
AChR

>  <Form> (2,009)
Citrate

>  <URL> (2,009)
http://www.selleckchem.com/products/pentoxyverine-carbetapentane-citrate.html

>  <CAS Number> (2,009)
23142-01-0

$$$$
Blasticidin S hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,010)
2381

>  <Formula> (2,010)
C17H27ClN8O5

>  <MolWeight> (2,010)
458.89988

>  <Item Name> (2,010)
Blasticidin S HCl

>  <Catalog Number> (2,010)
S7419

>  <Synonyms> (2,010)
Blasticidine S HCl

>  <Target> (2,010)
DNA/RNA Synthesis

>  <Form> (2,010)
hydrochloride salt

>  <URL> (2,010)
http://www.selleckchem.com/products/blasticidin-s-hcl.html

>  <CAS Number> (2,010)
3513-03-9

$$$$
levobupivacaine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,011)
2382

>  <Formula> (2,011)
C18H29ClN2O

>  <MolWeight> (2,011)
324.88866

>  <Item Name> (2,011)
Levobupivacaine HCl

>  <Catalog Number> (2,011)
S4061

>  <Synonyms> (2,011)
N/A

>  <Target> (2,011)
Sodium Channel

>  <Form> (2,011)
Hydrochloride

>  <URL> (2,011)
http://www.selleckchem.com/products/lvobupivacaine-hcl.html

>  <CAS Number> (2,011)
27262-48-2

$$$$
WS3.cdx
csChFnd80/07171813082D

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1369761-01-2

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http://www.selleckchem.com/products/cid755673.html

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521937-07-5

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csChFnd80/07171813082D

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FXR

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459789-99-2

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747-36-4

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182498-32-4

$$$$
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csChFnd80/07171813082D

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Histone Methyltransferase

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1271738-62-5

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74103-07-4

$$$$
3469-LCZ696.cdx
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N/A

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RAAS

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Sodium salt hydrate

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http://www.selleckchem.com/products/lcz696.html

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936623-90-4

$$$$
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ALK

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>  <URL> (2,022)
http://www.selleckchem.com/products/pf-06463922.html

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1454846-35-5

$$$$
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http://www.selleckchem.com/products/Lactulose(Enulose).html

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4618-18-2

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csChFnd80/07171813082D

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no

$$$$
Ledipasvir (GS5885) .cdx
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$$$$
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$$$$
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Isepamicin Sulphate

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>  <Synonyms> (2,030)
Isepamicine (Isepamycin, sch21420) Sulphate

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Antifection

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Sulphate

>  <URL> (2,030)
http://www.selleckchem.com/products/isepamicin-sulphate.html

>  <CAS Number> (2,030)
67814-76-0

$$$$
EI1.cdx
csChFnd80/07171813082D

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N/A

>  <Target> (2,031)
Histone Methyltransferase

>  <Form> (2,031)
Free Base

>  <URL> (2,031)
http://www.selleckchem.com/products/ei1.html

>  <CAS Number> (2,031)
1418308-27-6

$$$$
ML141.cdx
csChFnd80/07171813082D

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2405

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C22H21N3O3S

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407.48544

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ML141

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S7686

>  <Synonyms> (2,032)
CID-2950007

>  <Target> (2,032)
Rho

>  <Form> (2,032)
Free Base

>  <URL> (2,032)
http://www.selleckchem.com/products/ml141.html

>  <CAS Number> (2,032)
71203-35-5

$$$$
BRD4770.cdx
csChFnd80/07171813082D

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C25H23N3O3

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BRD4770

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S7591

>  <Synonyms> (2,033)
N/A

>  <Target> (2,033)
Histone Methyltransferase

>  <Form> (2,033)
Free Base

>  <URL> (2,033)
http://www.selleckchem.com/products/brd4770.html

>  <CAS Number> (2,033)
1374601-40-7

$$$$
PX-478 2HCl.cdx
csChFnd80/07171813082D

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2407

>  <Formula> (2,034)
C13H20Cl4N2O3

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PX-478 2HCl

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S7612

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N/A

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HIF

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Dihydrochlorid

>  <URL> (2,034)
http://www.selleckchem.com/products/px-478-2hcl.html

>  <CAS Number> (2,034)
685898-44-6

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/07171813082D

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477-47-4

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656820-32-5

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896705-16-1

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http://www.selleckchem.com/products/pnd-1186-vs-4718.html

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1061353-68-1

$$$$
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1334921-03-7

$$$$
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SBE 13 hydrochloride.cdx
csChFnd80/07171813082D

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PLK

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http://www.selleckchem.com/products/sbe-13-hcl.html

>  <CAS Number> (2,065)
1052532-15-6

$$$$
Bikinin.cdx
csChFnd80/07171813082D

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188011-69-0

$$$$
Salirasib.cdx
csChFnd80/07171813082D

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162520-00-5

$$$$
SD208.cdx
csChFnd80/07171813082D

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627536-09-8

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csChFnd80/07171813082D

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RP56976 (NSC 628503) Trihydrate

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Microtubule Associated

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Trihydrate

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http://www.selleckchem.com/products/docetaxel-trihydrate.html

>  <CAS Number> (2,089)
148408-66-6

$$$$
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csChFnd80/07171813082D

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Pemetrexed Disodium Hydrate

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LY-231514 Disodium Hydrate

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DHFR

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Disodium Hydrate

>  <URL> (2,090)
http://www.selleckchem.com/products/pemetrexed-disodium-hydrate.html

>  <CAS Number> (2,090)
357166-30-4

$$$$
EPZ015666.cdx
csChFnd80/07171813082D

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Histone Methyltransferase

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http://www.selleckchem.com/products/epz015666.html

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1616391-65-1

$$$$
ANA-12.cdx
csChFnd80/07171813082D

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http://www.selleckchem.com/products/ana-12.html

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219766-25-3

$$$$
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csChFnd80/07171813082D

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

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557795-19-4

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143664-11-3

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phosphatase

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http://www.selleckchem.com/products/lb-100.html

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$$$$
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Ferroptosis

>  <Form> (2,109)
Free Base

>  <URL> (2,109)
http://www.selleckchem.com/products/liproxstatin-1.html

>  <CAS Number> (2,109)
950455-15-9

$$$$
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csChFnd80/07171813082D

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>  <Catalog Number> (2,110)
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>  <Synonyms> (2,110)
N/A

>  <Target> (2,110)
EGFR

>  <Form> (2,110)
Dimaleate

>  <URL> (2,110)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

>  <CAS Number> (2,110)
850140-73-7

$$$$
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csChFnd80/07171813082D

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>  <Catalog Number> (2,111)
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>  <Synonyms> (2,111)
N/A

>  <Target> (2,111)
I¦ÊB/IKK

>  <Form> (2,111)
Trihydrochloride

>  <URL> (2,111)
http://www.selleckchem.com/products/ly2409881.html

>  <CAS Number> (2,111)
946518-60-1

$$$$
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$$$$
Purvalanol A.cdx
csChFnd80/07171813082D

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212844-53-6

$$$$
AZD2932.cdx
csChFnd80/07171813082D

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A   20
R
A   48
R=
A   49
or
A   50
or
M  CFW   2 BOND_GSTEREO 5
M  CFW   8 BOND_GSTEREO 5
M  CFW  14 BOND_GSTEREO 5
M  END
>  <Mol_ID> (2,131)
2508

>  <Formula> (2,131)
C27H64N7O11R4S

>  <MolWeight> (2,131)
694.90236

>  <Item Name> (2,131)
Gentamicin Sulfate

>  <Catalog Number> (2,131)
S4030

>  <Synonyms> (2,131)
NSC-82261, SCH9724

>  <Target> (2,131)
Antifection

>  <Form> (2,131)
Sulfate

>  <URL> (2,131)
http://www.selleckchem.com/products/gentamicin-sulfate.html

>  <CAS Number> (2,131)
1405-41-0

$$$$
AT7519 HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,132)
2509

>  <Formula> (2,132)
C16H18Cl3N5O2

>  <MolWeight> (2,132)
418.70542

>  <Item Name> (2,132)
AT7519 HCl

>  <Catalog Number> (2,132)
S7808

>  <Synonyms> (2,132)
N/A

>  <Target> (2,132)
CDK

>  <Form> (2,132)
Hydrochloride

>  <URL> (2,132)
http://www.selleckchem.com/products/at7519-hcl.html

>  <CAS Number> (2,132)
902135-91-5

$$$$
VER155008.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,133)
2510

>  <Formula> (2,133)
C25H23Cl2N7O4

>  <MolWeight> (2,133)
556.40062

>  <Item Name> (2,133)
VER155008

>  <Catalog Number> (2,133)
S7751

>  <Synonyms> (2,133)
C07

>  <Target> (2,133)
HSP (e.g. HSP90)

>  <Form> (2,133)
Free Base

>  <URL> (2,133)
http://www.selleckchem.com/products/ver155008.html

>  <CAS Number> (2,133)
1134156-31-2

$$$$
ARRY-614.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,134)
2511

>  <Formula> (2,134)
C31H33FN6O3

>  <MolWeight> (2,134)
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>  <Item Name> (2,134)
Pexmetinib (ARRY-614)

>  <Catalog Number> (2,134)
S7799

>  <Synonyms> (2,134)
N/A

>  <Target> (2,134)
p38 MAPK

>  <Form> (2,134)
Free Base

>  <URL> (2,134)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

>  <CAS Number> (2,134)
945614-12-0

$$$$
Pyridostatin.cdx
csChFnd80/07171813082D

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$$$$
BVD-523.cdx
csChFnd80/07171813082D

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C21H22Cl2N4O2

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Ulixertinib (BVD-523, VRT752271)

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S7854

>  <Synonyms> (2,143)
N/A

>  <Target> (2,143)
ERK

>  <Form> (2,143)
Free Base

>  <URL> (2,143)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

>  <CAS Number> (2,143)
869886-67-9

$$$$
Tenofovir alafenamide.cdx
csChFnd80/07171813082D

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2521

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C21H29N6O5P

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>  <Item Name> (2,144)
Tenofovir Alafenamide (GS-7340)

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S7856

>  <Synonyms> (2,144)
N/A

>  <Target> (2,144)
Reverse Transcriptase

>  <Form> (2,144)
Free Base

>  <URL> (2,144)
http://www.selleckchem.com/products/tenofovir-alafenamide-gs-7340.html

>  <CAS Number> (2,144)
379270-37-8

$$$$
BPTES.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,145)
2522

>  <Formula> (2,145)
C24H24N6O2S3

>  <MolWeight> (2,145)
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>  <Item Name> (2,145)
BPTES

>  <Catalog Number> (2,145)
S7753

>  <Synonyms> (2,145)
N/A

>  <Target> (2,145)
Glutaminase

>  <Form> (2,145)
Free Base

>  <URL> (2,145)
http://www.selleckchem.com/products/bptes.html

>  <CAS Number> (2,145)
314045-39-1

$$$$
Dorsomorphin.cdx
csChFnd80/07171813082D

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Dorsomorphin (Compound C)

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S7840

>  <Synonyms> (2,146)
Compound C, BML-275

>  <Target> (2,146)
AMPK

>  <Form> (2,146)
Free Base

>  <URL> (2,146)
http://www.selleckchem.com/products/dorsomorphin.html

>  <CAS Number> (2,146)
866405-64-3

$$$$
Licochalcone A.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (2,147)
2524

>  <Formula> (2,147)
C21H22O4

>  <MolWeight> (2,147)
338.39698

>  <Item Name> (2,147)
Licochalcone A

>  <Catalog Number> (2,147)
S7828

>  <Synonyms> (2,147)
N/A

>  <Target> (2,147)
Estrogen/progestogen Receptor

>  <Form> (2,147)
Free Base

>  <URL> (2,147)
http://www.selleckchem.com/products/licochalcone-a.html

>  <CAS Number> (2,147)
58749-22-7

$$$$
Eltrombopag diethanolamine salt.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,148)
2525

>  <Formula> (2,148)
C29H36N6O6

>  <MolWeight> (2,148)
564.63274

>  <Item Name> (2,148)
Eltrombopag olamine

>  <Catalog Number> (2,148)
S2229

>  <Synonyms> (2,148)
SB-497115-GR, SB497115

>  <Target> (2,148)
Thrombin

>  <Form> (2,148)
diolamine

>  <URL> (2,148)
http://www.selleckchem.com/products/Eltrombopag-SB-497115-GR.html

>  <CAS Number> (2,148)
496775-62-3

$$$$
E3330.cdx
csChFnd80/07171813082D

 27 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,149)
2527

>  <Formula> (2,149)
C21H30O6

>  <MolWeight> (2,149)
378.4593

>  <Item Name> (2,149)
E3330

>  <Catalog Number> (2,149)
S7445

>  <Synonyms> (2,149)
N/A

>  <Target> (2,149)
DNA/RNA Synthesis

>  <Form> (2,149)
Free Base

>  <URL> (2,149)
http://www.selleckchem.com/products/e3330.html

>  <CAS Number> (2,149)
136164-66-4

$$$$
Endoxifen HCl.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,150)
2528

>  <Formula> (2,150)
C25H28ClNO2

>  <MolWeight> (2,150)
409.94832

>  <Item Name> (2,150)
Endoxifen HCl

>  <Catalog Number> (2,150)
S7839

>  <Synonyms> (2,150)
N/A

>  <Target> (2,150)
Estrogen/progestogen Receptor

>  <Form> (2,150)
Hydrochloride

>  <URL> (2,150)
http://www.selleckchem.com/products/endoxifen-hcl.html

>  <CAS Number> (2,150)
1032008-74-4

$$$$
CPI-169.cdx
csChFnd80/07171813082D

 37 40  0  0  0  0  0  0  0  0999 V2000
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ditrifluoroacetic acid

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250612-42-1

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c-Met

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>  <URL> (2,159)
http://www.selleckchem.com/products/nps-1034.html

>  <CAS Number> (2,159)
1221713-92-3

$$$$
KN-93 H3PO4.cdx
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>  <Formula> (2,160)
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>  <Item Name> (2,160)
KN-93 Phosphate

>  <Catalog Number> (2,160)
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>  <Synonyms> (2,160)
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>  <Target> (2,160)
CaMK

>  <Form> (2,160)
Free Base

>  <URL> (2,160)
http://www.selleckchem.com/products/kn-93-phosphate.html

>  <CAS Number> (2,160)
1188890-41-6

$$$$
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M  END
>  <Mol_ID> (2,161)
2540

>  <Formula> (2,161)
C16H31N2O8P

>  <MolWeight> (2,161)
410.399701

>  <Item Name> (2,161)
Oseltamivir Phosphate

>  <Catalog Number> (2,161)
S2597

>  <Synonyms> (2,161)
N/A

>  <Target> (2,161)
Antifection

>  <Form> (2,161)
Phosphate salt

>  <URL> (2,161)
http://www.selleckchem.com/products/oseltamivir-phosphate-Tamiflu.html

>  <CAS Number> (2,161)
204255-11-8

$$$$
S4002.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,162)
2541

>  <Formula> (2,162)
C16H20F6N5O6P

>  <MolWeight> (2,162)
523.3240802

>  <Item Name> (2,162)
Sitagliptin phosphate monohydrate

>  <Catalog Number> (2,162)
S4002

>  <Synonyms> (2,162)
MK-0431

>  <Target> (2,162)
DPP-4

>  <Form> (2,162)
phosphate &monohydrate

>  <URL> (2,162)
http://www.selleckchem.com/products/Sitagliptin.html

>  <CAS Number> (2,162)
654671-77-9

$$$$
S4117.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,163)
2542

>  <Formula> (2,163)
C5H15N3O8P2

>  <MolWeight> (2,163)
307.135422

>  <Item Name> (2,163)
Histamine Phosphate

>  <Catalog Number> (2,163)
S4117

>  <Synonyms> (2,163)
N/A

>  <Target> (2,163)
Histamine Receptor

>  <Form> (2,163)
Free Base

>  <URL> (2,163)
http://www.selleckchem.com/products/histamine-phosphate.html

>  <CAS Number> (2,163)
51-74-1

$$$$
Dyngo-4a.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,164)
2544

>  <Formula> (2,164)
C18H14N2O5

>  <MolWeight> (2,164)
338.31416

>  <Item Name> (2,164)
Dyngo-4a

>  <Catalog Number> (2,164)
S7163

>  <Synonyms> (2,164)
N/A

>  <Target> (2,164)
Dynamin

>  <Form> (2,164)
Free Base

>  <URL> (2,164)
http://www.selleckchem.com/products/dyngo-4a.html

>  <CAS Number> (2,164)
1256493-34-1

$$$$
AMI-1.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,165)
2545

>  <Formula> (2,165)
C21H14N2Na2O9S2

>  <MolWeight> (2,165)
548.4534

>  <Item Name> (2,165)
AMI-1

>  <Catalog Number> (2,165)
S7884

>  <Synonyms> (2,165)
N/A

>  <Target> (2,165)
Histone Methyltransferase

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disodium salt

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16980-89-5

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M  END
>  <Mol_ID> (2,173)
2553

>  <Formula> (2,173)
C30H30CaO8

>  <MolWeight> (2,173)
558.6324

>  <Item Name> (2,173)
Fenoprofen calcium hydrate

>  <Catalog Number> (2,173)
S3027

>  <Synonyms> (2,173)
N/A

>  <Target> (2,173)
Immunology & Inflammation related

>  <Form> (2,173)
Calcium dihydrate salt

>  <URL> (2,173)
http://www.selleckchem.com/products/fenoprofen-calcium-hydrate.html

>  <CAS Number> (2,173)
71720-56-4

$$$$
S4059.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,174)
2554

>  <Formula> (2,174)
C5FeN6Na2O

>  <MolWeight> (2,174)
261.91764

>  <Item Name> (2,174)
Sodium Nitroprusside

>  <Catalog Number> (2,174)
S4059

>  <Synonyms> (2,174)
N/A

>  <Target> (2,174)
Others

>  <Form> (2,174)
Fe complex

>  <URL> (2,174)
http://www.selleckchem.com/products/sodium-nitroprusside.html

>  <CAS Number> (2,174)
14402-89-2

$$$$
Sertaconazole nitrate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,175)
2556

>  <Formula> (2,175)
C20H16Cl3N3O4S

>  <MolWeight> (2,175)
500.78274

>  <Item Name> (2,175)
Sertaconazole nitrate

>  <Catalog Number> (2,175)
S3161

>  <Synonyms> (2,175)
FI-7045

>  <Target> (2,175)
Antifection

>  <Form> (2,175)
Nitrate

>  <URL> (2,175)
http://www.selleckchem.com/products/sertaconazole-nitrate.html

>  <CAS Number> (2,175)
99592-39-9

$$$$
RTA 408.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,176)
2559

>  <Formula> (2,176)
C33H44F2N2O3

>  <MolWeight> (2,176)
554.7108664

>  <Item Name> (2,176)
Omaveloxolone (RTA-408)

>  <Catalog Number> (2,176)
S7672

>  <Synonyms> (2,176)
N/A

>  <Target> (2,176)
NF-¦ÊB

>  <Form> (2,176)
Free Base

>  <URL> (2,176)
http://www.selleckchem.com/products/omaveloxolone-rta-408.html

>  <CAS Number> (2,176)
1474034-05-3

$$$$
8-Bromo-cAMP.cdx
csChFnd80/07171813082D

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M  END
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C10H10BrN5NaO6P

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8-Bromo-cAMP

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>  <Synonyms> (2,177)
N/A

>  <Target> (2,177)
PKA

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sodium salt

>  <URL> (2,177)
http://www.selleckchem.com/products/8-bromo-camp.html

>  <CAS Number> (2,177)
76939-46-3

$$$$
Epacadostat (INCB024360).cdx
csChFnd80/07171813082D

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M  END
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>  <Formula> (2,178)
C11H13BrFN7O4S

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438.2328232

>  <Item Name> (2,178)
Epacadostat (INCB024360)

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S7910

>  <Synonyms> (2,178)
N/A

>  <Target> (2,178)
IDO

>  <Form> (2,178)
Free Base

>  <URL> (2,178)
http://www.selleckchem.com/products/epacadostat-incb024360.html

>  <CAS Number> (2,178)
1204669-58-8

$$$$
BLU9931.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,179)
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>  <Formula> (2,179)
C26H22Cl2N4O3

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>  <Item Name> (2,179)
BLU9931

>  <Catalog Number> (2,179)
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>  <Synonyms> (2,179)
N/A

>  <Target> (2,179)
FGFR

>  <Form> (2,179)
Free Base

>  <URL> (2,179)
http://www.selleckchem.com/products/blu9931.html

>  <CAS Number> (2,179)
1538604-68-0

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/07171813082D

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M  END
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2563

>  <Formula> (2,180)
C28H29Cl2N3OS

>  <MolWeight> (2,180)
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>  <Item Name> (2,180)
Smoothened Agonist (SAG) HCl

>  <Catalog Number> (2,180)
S7779

>  <Synonyms> (2,180)
N/A

>  <Target> (2,180)
Hedgehog/Smoothened

>  <Form> (2,180)
Hydrochloride

>  <URL> (2,180)
http://www.selleckchem.com/products/smoothened-agonist-sag-hcl.html

>  <CAS Number> (2,180)
912545-86-9

$$$$
TP-0903.cdx
csChFnd80/07171813082D

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Nrf2

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Free Base

>  <URL> (2,185)
http://www.selleckchem.com/products/oltipraz.html

>  <CAS Number> (2,185)
64224-21-1

$$$$
FLLL32.cdx
csChFnd80/07171813082D

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JAK

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Free Base

>  <URL> (2,186)
http://www.selleckchem.com/products/flll32.html

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1226895-15-3

$$$$
Bromodeoxyuridine.cdx
csChFnd80/07171813082D

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C9H11BrN2O5

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Bromodeoxyuridine (BrdU)

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>  <Synonyms> (2,187)
N/A

>  <Target> (2,187)
DNA/RNA Synthesis

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Free Base

>  <URL> (2,187)
http://www.selleckchem.com/products/bromodeoxyuridine-brdu.html

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59-14-3

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/07171813082D

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Disodium (R)-2-Hydroxyglutarate

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>  <Target> (2,188)
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disodium salt

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http://www.selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

>  <CAS Number> (2,188)
103404-90-6

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/07171813082D

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>  <Formula> (2,189)
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>  <MolWeight> (2,189)
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Sodium Tauroursodeoxycholate (TUDC)

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>  <Synonyms> (2,189)
N/A

>  <Target> (2,189)
Antifection

>  <Form> (2,189)
sodium salt

>  <URL> (2,189)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

>  <CAS Number> (2,189)
35807-85-3

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/07171813082D

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ROS

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Free Base

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

>  <CAS Number> (2,194)
32619-42-4

$$$$
MMAE.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,195)
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>  <Formula> (2,195)
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>  <Item Name> (2,195)
Monomethyl auristatin E (MMAE)

>  <Catalog Number> (2,195)
S7721

>  <Synonyms> (2,195)
N/A

>  <Target> (2,195)
Microtubule Associated

>  <Form> (2,195)
Free Base

>  <URL> (2,195)
http://www.selleckchem.com/products/monomethyl-auristatin-e-mmae.html

>  <CAS Number> (2,195)
474645-27-7

$$$$
Dp44mT.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,196)
2581

>  <Formula> (2,196)
C14H15N5S

>  <MolWeight> (2,196)
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>  <Item Name> (2,196)
Dp44mT

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S7909

>  <Synonyms> (2,196)
N/A

>  <Target> (2,196)
Others

>  <Form> (2,196)
Free Base

>  <URL> (2,196)
http://www.selleckchem.com/products/dp44mt.html

>  <CAS Number> (2,196)
152095-12-0

$$$$
Vidofludimus .cdx
csChFnd80/07171813082D

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2582

>  <Formula> (2,197)
C20H18FNO4

>  <MolWeight> (2,197)
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>  <Item Name> (2,197)
Vidofludimus

>  <Catalog Number> (2,197)
S7262

>  <Synonyms> (2,197)
SC12267, 4SC-101

>  <Target> (2,197)
Dehydrogenase

>  <Form> (2,197)
Free Base

>  <URL> (2,197)
http://www.selleckchem.com/products/vidofludimus.html

>  <CAS Number> (2,197)
717824-30-1

$$$$
PF-03084014.cdx
csChFnd80/07171813082D

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1675203-84-5

$$$$
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137-08-6

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N/A

>  <Target> (2,211)
TAM Receptor

>  <Form> (2,211)
hydrochloride salt

>  <URL> (2,211)
http://www.selleckchem.com/products/unc-2025.html

>  <CAS Number> (2,211)
1429881-91-3

$$$$
P7C3.cdx
csChFnd80/07171813082D

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>  <Formula> (2,212)
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P7C3

>  <Catalog Number> (2,212)
S7968

>  <Synonyms> (2,212)
N/A

>  <Target> (2,212)
NAMPT

>  <Form> (2,212)
Free Base

>  <URL> (2,212)
http://www.selleckchem.com/products/p7c3.html

>  <CAS Number> (2,212)
301353-96-8

$$$$
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2598

>  <Formula> (2,213)
C32H34O10

>  <MolWeight> (2,213)
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>  <Item Name> (2,213)
gossypol-Acetic acid

>  <Catalog Number> (2,213)
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>  <Synonyms> (2,213)
Pogosin, AT101

>  <Target> (2,213)
Dehydrogenase

>  <Form> (2,213)
Acetate

>  <URL> (2,213)
http://www.selleckchem.com/products/Gossypol.html

>  <CAS Number> (2,213)
12542-36-8

$$$$
S1096-JNJ26481585.cdx
csChFnd80/07171813082D

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HER2

>  <Form> (2,234)
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>  <URL> (2,234)
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>  <CAS Number> (2,234)
714971-09-2

$$$$
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>  <URL> (2,235)
http://www.selleckchem.com/products/entrectinib-rxdx-101.html

>  <CAS Number> (2,235)
1108743-60-7

$$$$
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6112-76-1

$$$$
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DNA/RNA Synthesis

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Free Base

>  <URL> (2,243)
http://www.selleckchem.com/products/6-thio-dg.html

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789-61-7

$$$$
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FGFR

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>  <URL> (2,244)
http://www.selleckchem.com/products/fiin-2.html

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1633044-56-0

$$$$
Coelenterazine.cdx
csChFnd80/07171813082D

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Coelenterazine

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>  <Synonyms> (2,245)
N/A

>  <Target> (2,245)
Others

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Free Base

>  <URL> (2,245)
http://www.selleckchem.com/products/coelenterazine.html

>  <CAS Number> (2,245)
55779-48-1

$$$$
Vorapaxar (SCH 530348).cdx
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2631

>  <Formula> (2,246)
C29H33FN2O4

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>  <Item Name> (2,246)
Vorapaxar (SCH 530348)

>  <Catalog Number> (2,246)
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SCH 530348, MK-5348

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Protease-activated Receptor

>  <Form> (2,246)
Free Base

>  <URL> (2,246)
http://www.selleckchem.com/products/vorapaxar.html

>  <CAS Number> (2,246)
618385-01-6

$$$$
SKF38393.cdx
csChFnd80/07171813082D

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SKF38393 HCl

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N/A

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Dopamine Receptor

>  <Form> (2,247)
Hydrochloride

>  <URL> (2,247)
http://www.selleckchem.com/products/skf38393-hcl.html

>  <CAS Number> (2,247)
62717-42-4

$$$$
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csChFnd80/07171813082D

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C15H24Cl2N2

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ORY-1001 (RG-6016) 2HCl

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S7795

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N/A

>  <Target> (2,248)
Histone Demethylase

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Dihydrochloride

>  <URL> (2,248)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

>  <CAS Number> (2,248)
1431326-61-2

$$$$
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csChFnd80/07171813082D

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GMX1778 (CHS828)

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S8117

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N/A

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NAMPT

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Free Base

>  <URL> (2,249)
http://www.selleckchem.com/products/gmx1778-chs828.html

>  <CAS Number> (2,249)
200484-11-3

$$$$
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N/A

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TLR

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>  <URL> (2,250)
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>  <CAS Number> (2,250)
926927-61-9

$$$$
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>  <URL> (2,251)
http://www.selleckchem.com/products/o4i1.html

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175135-47-4

$$$$
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144875-48-9

$$$$
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934493-76-2

$$$$
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csChFnd80/07171813082D

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http://www.selleckchem.com/products/mitomycin-c.html

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50-07-7

$$$$
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csChFnd80/07171813082D

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431898-65-6

$$$$
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839706-07-9

$$$$
NSC59984.cdx
csChFnd80/07171813082D

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p53

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http://www.selleckchem.com/products/nsc59984.html

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803647-40-7

$$$$
Cucurbitacin B.cdx
csChFnd80/07171813082D

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http://www.selleckchem.com/products/cucurbitacin-b.html

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6199-67-3

$$$$
Z-VAD(OH)-FMK (Caspase Inhibitor VI).cdx
csChFnd80/07171813082D

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>  <URL> (2,281)
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161401-82-7

$$$$
GlyH-101.cdx
csChFnd80/07171813082D

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Histone Demethylase

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Dihydrochloride

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1401966-69-5

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Adenosine Receptor

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http://www.selleckchem.com/products/sch58261.html

>  <CAS Number> (2,288)
160098-96-4

$$$$
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2679

>  <Formula> (2,291)
C38H42Cl2F4N6O9

>  <MolWeight> (2,291)
873.6744928

>  <Item Name> (2,291)
Sitafloxacin hydrate

>  <Catalog Number> (2,291)
S2152

>  <Synonyms> (2,291)
DU 6859A, DU 6859, DU-6859, LS-184401

>  <Target> (2,291)
Antifection

>  <Form> (2,291)
1.5 hydrate

>  <URL> (2,291)
http://www.selleckchem.com/products/Sitafloxacin(DU-6859A).html

>  <CAS Number> (2,291)
163253-35-8, 163253-37-0 (H2O), 127254-12-0 (free base), 3466

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,292)
2680

>  <Formula> (2,292)
C19H27N3O6

>  <MolWeight> (2,292)
393.43418

>  <Item Name> (2,292)
Daprodustat (GSK1278863)

>  <Catalog Number> (2,292)
S8171

>  <Synonyms> (2,292)
N/A

>  <Target> (2,292)
HIF

>  <Form> (2,292)
Free Base

>  <URL> (2,292)
http://www.selleckchem.com/products/daprodustat.html

>  <CAS Number> (2,292)
960539-70-2

$$$$
MS023.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,293)
2681

>  <Formula> (2,293)
C17H25N3O

>  <MolWeight> (2,293)
287.3999

>  <Item Name> (2,293)
MS023

>  <Catalog Number> (2,293)
S8112

>  <Synonyms> (2,293)
N/A

>  <Target> (2,293)
Histone Methyltransferase

>  <Form> (2,293)
Free Base

>  <URL> (2,293)
http://www.selleckchem.com/products/ms023.html

>  <CAS Number> (2,293)
1831110-54-3

$$$$
CC-223.cdx
csChFnd80/07171813082D

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mTOR

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http://www.selleckchem.com/products/cc-223.html

>  <CAS Number> (2,294)
1228013-30-6

$$$$
Chaetocin.cdx
csChFnd80/07171813082D

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N/A

>  <Target> (2,295)
Histone Methyltransferase

>  <Form> (2,295)
Free Base

>  <URL> (2,295)
http://www.selleckchem.com/products/chaetocin.html

>  <CAS Number> (2,295)
28097-03-2

$$$$
Pimavanserin (ACP-103).cdx
csChFnd80/07171813082D

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5-HT Receptor

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Tartrate

>  <URL> (2,296)
http://www.selleckchem.com/products/pimavanserin.html

>  <CAS Number> (2,296)
706782-28-7

$$$$
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hydrochloride salt

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222638-67-7

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AZD3965.cdx
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Free Base

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http://www.selleckchem.com/products/azd3965.html

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1448671-31-5

$$$$
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csChFnd80/07171813082D

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PD-1/PD-L1

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1675201-83-8

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Akt

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Wnt/beta-catenin

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853220-52-7(free-base)

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256373-96-3

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M  END
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>  <Formula> (2,314)
C17H12Cl2F3N7O2S

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506.2890896

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MLN2480

>  <Catalog Number> (2,314)
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>  <Synonyms> (2,314)
BIIB-024

>  <Target> (2,314)
Raf

>  <Form> (2,314)
Free Base

>  <URL> (2,314)
http://www.selleckchem.com/products/mln2480.html

>  <CAS Number> (2,314)
1096708-71-2

$$$$
PF-CBP1.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,315)
2706

>  <Formula> (2,315)
C29H37ClN4O3

>  <MolWeight> (2,315)
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>  <Item Name> (2,315)
PF-CBP1 HCL

>  <Catalog Number> (2,315)
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>  <Synonyms> (2,315)
N/A

>  <Target> (2,315)
Epigenetic Reader Domain

>  <Form> (2,315)
Hydrochloride

>  <URL> (2,315)
http://www.selleckchem.com/products/pf-cbp1.html

$$$$
Acalabrutinib.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,316)
2707

>  <Formula> (2,316)
C26H23N7O2

>  <MolWeight> (2,316)
465.50652

>  <Item Name> (2,316)
Acalabrutinib (ACP-196)

>  <Catalog Number> (2,316)
S8116

>  <Synonyms> (2,316)
N/A

>  <Target> (2,316)
BTK

>  <Form> (2,316)
Free Base

>  <URL> (2,316)
http://www.selleckchem.com/products/acalabrutinib.html

>  <CAS Number> (2,316)
1420477-60-6

$$$$
LTX-315.cdx
csChFnd80/07171813082D

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http://www.selleckchem.com/products/ltx-315.html

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1345407-05-7

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/07171813082D

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1616391-87-7

$$$$
AG-120 (Ivosidenib).cdx
csChFnd80/07171813082D

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1448347-49-6

$$$$
Bitopertin (RG1678; RO-4917838).cdx
csChFnd80/07171813082D

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RG1678, RO-4917838

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GlyT

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Free Base

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http://www.selleckchem.com/products/bitopertin-rg1678-ro-4917838.html

>  <CAS Number> (2,320)
845614-11-1

$$$$
Halofuginone.cdx
csChFnd80/07171813082D

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2712

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C16H17BrClN3O3

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S8144

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N/A

>  <Target> (2,321)
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Free Base

>  <URL> (2,321)
http://www.selleckchem.com/products/halofuginone.html

>  <CAS Number> (2,321)
55837-20-2

$$$$
AS1842856.cdx
csChFnd80/07171813082D

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C18H22FN3O3

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N/A

>  <Target> (2,322)
Others

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Free Base

>  <URL> (2,322)
http://www.selleckchem.com/products/as1842856.html

>  <CAS Number> (2,322)
836620-48-5

$$$$
HLCL-61.cdx
csChFnd80/07171813082D

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2714

>  <Formula> (2,323)
C23H25ClN2O

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>  <Item Name> (2,323)
HLCL-61 hydrochloride

>  <Catalog Number> (2,323)
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>  <Synonyms> (2,323)
HLCL61

>  <Target> (2,323)
Histone Methyltransferase

>  <Form> (2,323)
Hydrochloride

>  <URL> (2,323)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

>  <CAS Number> (2,323)
1158279-20-9

$$$$
I-BRD9 (GSK602).cdx
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GSK602

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Epigenetic Reader Domain

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Free Base

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http://www.selleckchem.com/products/i-brd9-gsk602.html

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1714146-59-4

$$$$
Vinblastine sulfate.cdx
csChFnd80/07171813082D

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Vinblastine sulfate

>  <Catalog Number> (2,325)
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NSC49842

>  <Target> (2,325)
Microtubule Associated

>  <Form> (2,325)
Free Base

>  <URL> (2,325)
http://www.selleckchem.com/products/vinblastine-sulfate.html

>  <CAS Number> (2,325)
143-67-9

$$$$
PIK-III.cdx
csChFnd80/07171813082D

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1383716-40-2

$$$$
SMER28.cdx
csChFnd80/07171813082D

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Free Base

>  <URL> (2,327)
http://www.selleckchem.com/products/smer28.html

>  <CAS Number> (2,327)
307538-42-7

$$$$
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http://www.selleckchem.com/products/rsl3.html

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1219810-16-8

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>  <URL> (2,329)
http://www.selleckchem.com/products/eliglustat-tartrate.html

>  <CAS Number> (2,329)
491833-29-5

$$$$
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Free Base

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http://www.selleckchem.com/products/ml264.html

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1550008-55-3

$$$$
PD0166285.cdx
csChFnd80/07171813082D

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$$$$
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csChFnd80/07171813082D

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AMPK

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http://www.selleckchem.com/products/etc-1002.html

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738606-46-7

$$$$
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csChFnd80/07171813082D

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942206-85-1

$$$$
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csChFnd80/07171813082D

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Diamox

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59-66-5

$$$$
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csChFnd80/07171813082D

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csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,341)
2732

>  <Formula> (2,341)
C21H30O3

>  <MolWeight> (2,341)
330.4611

>  <Item Name> (2,341)
17-Hydroxyprogesterone

>  <Catalog Number> (2,341)
S4507

>  <Synonyms> (2,341)
N/A

>  <Target> (2,341)
Estrogen/progestogen Receptor

>  <Form> (2,341)
Free Base

>  <URL> (2,341)
http://www.selleckchem.com/products/17-hydroxyprogesterone.html

>  <CAS Number> (2,341)
68-96-2

$$$$
YAP-TEAD Inhibitor 1 (Peptide 17).cdx
csChFnd80/07171813082D

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Pluripotin (SC1)

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S7752

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N/A

>  <Target> (2,343)
ERK

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Free Base

>  <URL> (2,343)
http://www.selleckchem.com/products/pluripotin-sc1.html

>  <CAS Number> (2,343)
839707-37-8

$$$$
AG-221 (Enasidenib).cdx
csChFnd80/07171813082D

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1446502-11-9

$$$$
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472981-92-3

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4-Hydroxytamoxifen (4-HT, Afimoxifene).cdx
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68392-35-8

$$$$
PLX7904.cdx
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1393465-84-3

$$$$
Chloroxylenol.cdx
csChFnd80/07171813082D

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88-04-0

$$$$
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M  END
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2741

>  <Formula> (2,350)
C16H16N5NaO7S2

>  <MolWeight> (2,350)
477.44731

>  <Item Name> (2,350)
Cefotaxime sodium

>  <Catalog Number> (2,350)
S4517

>  <Synonyms> (2,350)
N/A

>  <Target> (2,350)
Antifection

>  <Form> (2,350)
Sodium Salt

>  <URL> (2,350)
http://www.selleckchem.com/products/cefotaxime-sodium.html

>  <CAS Number> (2,350)
64485-93-4

$$$$
6-Benzylaminopurine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,351)
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>  <Formula> (2,351)
C12H11N5

>  <MolWeight> (2,351)
225.24924

>  <Item Name> (2,351)
6-Benzylaminopurine

>  <Catalog Number> (2,351)
S4511

>  <Synonyms> (2,351)
N/A

>  <Target> (2,351)
Others

>  <Form> (2,351)
Free Base

>  <URL> (2,351)
http://www.selleckchem.com/products/6-benzylaminopurine.html

>  <CAS Number> (2,351)
1214-39-7

$$$$
4-Aminobenzoic acid.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,352)
2743

>  <Formula> (2,352)
C7H7NO2

>  <MolWeight> (2,352)
137.13598

>  <Item Name> (2,352)
4-Aminobenzoic acid

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S4510

>  <Synonyms> (2,352)
para-Aminobenzoic acid

>  <Target> (2,352)
Others

>  <Form> (2,352)
Free Base

>  <URL> (2,352)
http://www.selleckchem.com/products/4-aminobenzoic-acid.html

>  <CAS Number> (2,352)
150-13-0

$$$$
Fenofibric acid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,353)
2744

>  <Formula> (2,353)
C17H15ClO4

>  <MolWeight> (2,353)
318.7516

>  <Item Name> (2,353)
Fenofibric acid

>  <Catalog Number> (2,353)
S4527

>  <Synonyms> (2,353)
NSC 281318, Trilipix, FNF acid

>  <Form> (2,353)
Free Base

>  <URL> (2,353)
http://www.selleckchem.com/products/fenofibric-acid.html

>  <CAS Number> (2,353)
42017-89-0

$$$$
Fenbufen.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,354)
2745

>  <Formula> (2,354)
C16H14O3

>  <MolWeight> (2,354)
254.28056

>  <Item Name> (2,354)
Fenbufen

>  <Catalog Number> (2,354)
S4526

>  <Synonyms> (2,354)
Lederfen, CL-82204

>  <Target> (2,354)
COX

>  <Form> (2,354)
Free Base

>  <URL> (2,354)
http://www.selleckchem.com/products/fenbufen.html

>  <CAS Number> (2,354)
36330-85-5

$$$$
C-DIM12.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,355)
2746

>  <Formula> (2,355)
C23H17ClN2

>  <MolWeight> (2,355)
356.84748

>  <Item Name> (2,355)
C-DIM12

>  <Catalog Number> (2,355)
S8097

>  <Synonyms> (2,355)
N/A

>  <Target> (2,355)
Immunology & Inflammation

>  <Form> (2,355)
Free Base

>  <URL> (2,355)
http://www.selleckchem.com/products/c-dim12.html

>  <CAS Number> (2,355)
178946-89-9

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/07171813082D

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1.5Sulfate

>  <URL> (2,356)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

>  <CAS Number> (2,356)
5490-27-7

$$$$
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>  <Item Name> (2,357)
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>  <Target> (2,357)
GluR

>  <Form> (2,357)
maleate

>  <URL> (2,357)
http://www.selleckchem.com/products/--mk-801-maleate.html

>  <CAS Number> (2,357)
121917-57-5

$$$$
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M  END
>  <Mol_ID> (2,358)
2749

>  <Formula> (2,358)
C20H19NO4

>  <MolWeight> (2,358)
337.36916

>  <Item Name> (2,358)
(+)-MK 801 maleate

>  <Catalog Number> (2,358)
S2876

>  <Synonyms> (2,358)
N/A

>  <Target> (2,358)
GluR

>  <Form> (2,358)
maleate

>  <URL> (2,358)
http://www.selleckchem.com/products/mk-801-maleate.html

>  <CAS Number> (2,358)
77086-22-7

$$$$
Pentamidine isethionate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,359)
2750

>  <Formula> (2,359)
C23H36N4O10S2

>  <MolWeight> (2,359)
592.68274

>  <Item Name> (2,359)
Pentamidine isethionate

>  <Catalog Number> (2,359)
S4007

>  <Synonyms> (2,359)
N/A

>  <Target> (2,359)
Others

>  <Form> (2,359)
Free Base

>  <URL> (2,359)
http://www.selleckchem.com/products/pentamidine-isethionate.html

>  <CAS Number> (2,359)
140-64-7

$$$$
Esomeprazole sodium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,360)
2751

>  <Formula> (2,360)
C17H18N3NaO3S

>  <MolWeight> (2,360)
367.39789

>  <Item Name> (2,360)
Esomeprazole sodium

>  <Catalog Number> (2,360)
S2233

>  <Synonyms> (2,360)
N/A

>  <Target> (2,360)
ATPase

>  <Form> (2,360)
Sodium salt

>  <URL> (2,360)
http://www.selleckchem.com/products/esomeprazole-sodium.html

>  <CAS Number> (2,360)
161796-78-7

$$$$
NEXIUM (esomeprazole magnesium).cdx
csChFnd80/07171813082D

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    6.7868   12.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,361)
2752

>  <Formula> (2,361)
C34H36MgN6O6S2

>  <MolWeight> (2,361)
713.12124

>  <Item Name> (2,361)
NEXIUM (esomeprazole magnesium)

>  <Catalog Number> (2,361)
S1743

>  <Synonyms> (2,361)
N/A

>  <Target> (2,361)
Proton Pump

>  <Form> (2,361)
Magnesium salt

>  <URL> (2,361)
http://www.selleckchem.com/products/nexium-esomeprazole-magnesium.html

>  <CAS Number> (2,361)
161973-10-0

$$$$
SCR7.cdx
csChFnd80/07171813082D

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SCR7

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N/A

>  <Target> (2,362)
DNA/RNA Synthesis

>  <Form> (2,362)
Free Base

>  <URL> (2,362)
http://www.selleckchem.com/products/scr7.html

>  <CAS Number> (2,362)
14892-97-8

$$$$
MRT68921.cdx
csChFnd80/07171813082D

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xHCl
M  END
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C26H36N6O2R

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>  <Item Name> (2,363)
MRT67307 HCl

>  <Catalog Number> (2,363)
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>  <Synonyms> (2,363)
N/A

>  <Target> (2,363)
I¦ÊB/IKK

>  <Form> (2,363)
hydrochloride

>  <URL> (2,363)
http://www.selleckchem.com/products/mrt67307.html

>  <CAS Number> (2,363)
1190378-57-4 (free-base)

$$$$
MRT67307.cdx
csChFnd80/07171813082D

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M  END
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>  <Formula> (2,364)
C25H34N6OR

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>  <Item Name> (2,364)
MRT68921 HCl

>  <Catalog Number> (2,364)
S7949

>  <Synonyms> (2,364)
N/A

>  <Target> (2,364)
Autophagy

>  <Form> (2,364)
hydrochloride

>  <URL> (2,364)
http://www.selleckchem.com/products/mrt68921.html

>  <CAS Number> (2,364)
1190379-70-4 (free base)

$$$$
i-Inositol.cdx
csChFnd80/07171813082D

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i-Inositol

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myo-inositol

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Free Base

>  <URL> (2,365)
http://www.selleckchem.com/products/i-inositol.html

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87-89-8

$$$$
Furazolidone.cdx
csChFnd80/07171813082D

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>  <Formula> (2,366)
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>  <Item Name> (2,366)
Furazolidone

>  <Catalog Number> (2,366)
S4528

>  <Synonyms> (2,366)
N/A

>  <Target> (2,366)
Antifection

>  <Form> (2,366)
Free Base

>  <URL> (2,366)
http://www.selleckchem.com/products/furazolidone.html

>  <CAS Number> (2,366)
67-45-8

$$$$
Citric acid trilithium salt tetrahydrate.cdx
csChFnd80/07171813082D

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    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> (2,367)
2758

>  <Formula> (2,367)
C6H13Li3O11

>  <MolWeight> (2,367)
281.98382

>  <Item Name> (2,367)
Citric acid trilithium salt tetrahydrate

>  <Catalog Number> (2,367)
S4519

>  <Synonyms> (2,367)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (2,367)
Others

>  <Form> (2,367)
Free Base

>  <URL> (2,367)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

>  <CAS Number> (2,367)
6080-58-6

$$$$
4-Aminoantipyrine.cdx
csChFnd80/07171813082D

 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> (2,368)
2759

>  <Formula> (2,368)
C11H13N3O

>  <MolWeight> (2,368)
203.24042

>  <Item Name> (2,368)
4-Aminoantipyrine

>  <Catalog Number> (2,368)
S4509

>  <Synonyms> (2,368)
Ampyrone, NSC 60242, Metapirazone, Solnapyrin-A, Solvapyrin-A, Minoazophene, Aminoazophene, Aminoanti

>  <Target> (2,368)
Orhers

>  <Form> (2,368)
Free Base

>  <URL> (2,368)
http://www.selleckchem.com/products/4-aminoantipyrine.html

>  <CAS Number> (2,368)
83-07-8

$$$$
Ethylparaben.cdx
csChFnd80/07171813082D

 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> (2,369)
2760

>  <Formula> (2,369)
C9H10O3

>  <MolWeight> (2,369)
166.1739

>  <Item Name> (2,369)
Ethylparaben

>  <Catalog Number> (2,369)
S4525

>  <Synonyms> (2,369)
Ethyl parahydroxybenzoate, Ethyl 4-hydroxybenzoate

>  <Target> (2,369)
Antifection

>  <Form> (2,369)
Free Base

>  <URL> (2,369)
http://www.selleckchem.com/products/ethylparaben.html

>  <CAS Number> (2,369)
120-47-8

$$$$
Iopamidol.cdx
csChFnd80/07171813082D

 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> (2,370)
2761

>  <Formula> (2,370)
C17H22I3N3O8

>  <MolWeight> (2,370)
777.08529

>  <Item Name> (2,370)
Iopamidol

>  <Catalog Number> (2,370)
S4532

>  <Synonyms> (2,370)
Iopamiro, Isovue, Iopamiron, Niopam, Solutrast

>  <Target> (2,370)
Others

>  <Form> (2,370)
Free Base

>  <URL> (2,370)
http://www.selleckchem.com/products/iopamidol.html

>  <CAS Number> (2,370)
60166-93-0

$$$$
Nitrofurantoin.cdx
csChFnd80/07171813082D

 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> (2,371)
2762

>  <Formula> (2,371)
C8H6N4O5

>  <MolWeight> (2,371)
238.15704

>  <Item Name> (2,371)
Nitrofurantoin

>  <Catalog Number> (2,371)
S4536

>  <Synonyms> (2,371)
Macrodantin, Furadantine, Furadonine

>  <Target> (2,371)
Antifection

>  <Form> (2,371)
Free Base

>  <URL> (2,371)
http://www.selleckchem.com/products/nitrofurantoin.html

>  <CAS Number> (2,371)
67-20-9

$$$$
SBI-0640756.cdx
csChFnd80/07171813082D

 29 32  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 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
    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
    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
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
  4  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
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 13 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 14  1  0  0  0  0
 15 20  1  0  0  0  0
 11 21  2  0  0  0  0
  9 22  2  0  0  0  0
 20 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 20  1  0  0  0  0
  6 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,372)
2763

>  <Formula> (2,372)
C23H14ClFN2O2

>  <MolWeight> (2,372)
404.8208632

>  <Item Name> (2,372)
SBI-0640756

>  <Catalog Number> (2,372)
S8181

>  <Synonyms> (2,372)
N/A

>  <Target> (2,372)
Others

>  <Form> (2,372)
Free Base

>  <URL> (2,372)
http://www.selleckchem.com/products/sbi-0640756.html

>  <CAS Number> (2,372)
N/A

$$$$
Dehydroacetic acid.cdx
csChFnd80/07171813082D

 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
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  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,373)
2764

>  <Formula> (2,373)
C8H8O4

>  <MolWeight> (2,373)
168.14672

>  <Item Name> (2,373)
Dehydroacetic acid

>  <Catalog Number> (2,373)
S4522

>  <Synonyms> (2,373)
Biocide 470F, Methylacetopyronone

>  <Target> (2,373)
Antifection

>  <Form> (2,373)
Free Base

>  <URL> (2,373)
http://www.selleckchem.com/products/dehydroacetic-acid.html

>  <CAS Number> (2,373)
520-45-6

$$$$
DEET.cdx
csChFnd80/07171813082D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4322    3.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6443    4.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4199    2.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6443    5.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    3.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0857    4.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539    2.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2694    3.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,374)
2765

>  <Formula> (2,374)
C12H17NO

>  <MolWeight> (2,374)
191.26948

>  <Item Name> (2,374)
DEET

>  <Catalog Number> (2,374)
S4521

>  <Synonyms> (2,374)
N,N-Diethyl-meta-toluamide, diethyltoluamide

>  <Target> (2,374)
Antifection

>  <Form> (2,374)
Free Base

>  <URL> (2,374)
http://www.selleckchem.com/products/deet.html

>  <CAS Number> (2,374)
134-62-3

$$$$
Acetylleucine.cdx
csChFnd80/07171813082D

 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> (2,375)
2767

>  <Formula> (2,375)
C8H15NO3

>  <MolWeight> (2,375)
173.2096

>  <Item Name> (2,375)
Acetylleucine

>  <Catalog Number> (2,375)
S4514

>  <Synonyms> (2,375)
N-acetyl-L-leucine

>  <Target> (2,375)
Others

>  <Form> (2,375)
Free Base

>  <URL> (2,375)
http://www.selleckchem.com/products/acetylleucine.html

>  <CAS Number> (2,375)
99-15-0

$$$$
Aceglutamide.cdx
csChFnd80/07171813082D

 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> (2,376)
2768

>  <Formula> (2,376)
C7H12N2O4

>  <MolWeight> (2,376)
188.18118

>  <Item Name> (2,376)
Aceglutamide

>  <Catalog Number> (2,376)
S4512

>  <Synonyms> (2,376)
¦Á-N-Acetyl-L-glutamine, N2-Acetylglutamine

>  <Target> (2,376)
Others

>  <Form> (2,376)
Free Base

>  <URL> (2,376)
http://www.selleckchem.com/products/aceglutamide.html

>  <CAS Number> (2,376)
2490-97-3

$$$$
Bucetin.cdx
csChFnd80/07171813082D

 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> (2,377)
2770

>  <Formula> (2,377)
C12H17NO3

>  <MolWeight> (2,377)
223.26828

>  <Item Name> (2,377)
Bucetin

>  <Catalog Number> (2,377)
S4554

>  <Synonyms> (2,377)
N/A

>  <Target> (2,377)
Others

>  <Form> (2,377)
Free Base

>  <URL> (2,377)
http://www.selleckchem.com/products/bucetin.html

>  <CAS Number> (2,377)
1083-57-4

$$$$
Bithionol.cdx
csChFnd80/07171813082D

 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
  4  8  1  0  0  0  0
  5  9  2  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> (2,378)
2771

>  <Formula> (2,378)
C12H6Cl4O2S

>  <MolWeight> (2,378)
356.05184

>  <Item Name> (2,378)
Bithionol

>  <Catalog Number> (2,378)
S4552

>  <Synonyms> (2,378)
Actamer

>  <Target> (2,378)
cAMP

>  <Form> (2,378)
Free Base

>  <URL> (2,378)
http://www.selleckchem.com/products/bithionol.html

>  <CAS Number> (2,378)
97-18-7

$$$$
Resorcinol.cdx
csChFnd80/07171813082D

  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> (2,379)
2772

>  <Formula> (2,379)
C6H6O2

>  <MolWeight> (2,379)
110.11064

>  <Item Name> (2,379)
Resorcinol

>  <Catalog Number> (2,379)
S4579

>  <Synonyms> (2,379)
m-dihydroxybenzene, 3-hydroxyphenol

>  <Target> (2,379)
Antifection

>  <Form> (2,379)
Free Base

>  <URL> (2,379)
http://www.selleckchem.com/products/resorcinol.html

>  <CAS Number> (2,379)
108-46-3

$$$$
Aminoguanidine (hydrochloride).cdx
csChFnd80/07171813082D

  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> (2,380)
2773

>  <Formula> (2,380)
CH7ClN4

>  <MolWeight> (2,380)
110.54608

>  <Item Name> (2,380)
Aminoguanidine (hydrochloride)

>  <Catalog Number> (2,380)
S4548

>  <Synonyms> (2,380)
Pimagedine, Guanyl hydrazine, Hydrazinecarboximidamide, Imino semicarbazide, Monoaminoguanidine

>  <Target> (2,380)
Others

>  <Form> (2,380)
hydrochloride

>  <URL> (2,380)
http://www.selleckchem.com/products/aminoguanidine-hydrochloride.html

>  <CAS Number> (2,380)
1937-19-5

$$$$
Diethylcarbamazine (citrate).cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (2,381)
2775

>  <Formula> (2,381)
C16H29N3O8

>  <MolWeight> (2,381)
391.41676

>  <Item Name> (2,381)
Diethylcarbamazine (citrate)

>  <Catalog Number> (2,381)
S4564

>  <Synonyms> (2,381)
N/A

>  <Target> (2,381)
Antifection

>  <Form> (2,381)
Free Base

>  <URL> (2,381)
http://www.selleckchem.com/products/diethylcarbamazine-citrate.html

>  <CAS Number> (2,381)
1642-54-2

$$$$
Danthron.cdx
csChFnd80/07171813082D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,382)
2776

>  <Formula> (2,382)
C14H8O4

>  <MolWeight> (2,382)
240.21092

>  <Item Name> (2,382)
Danthron

>  <Catalog Number> (2,382)
S4561

>  <Synonyms> (2,382)
chrysazin, Antrapurol

>  <Target> (2,382)
Others

>  <Form> (2,382)
Free Base

>  <URL> (2,382)
http://www.selleckchem.com/products/danthron.html

>  <CAS Number> (2,382)
117-10-2

$$$$
Trihexyphenidyl (hydrochloride).cdx
csChFnd80/07171813082D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,383)
2778

>  <Formula> (2,383)
C20H32ClNO

>  <MolWeight> (2,383)
337.92718

>  <Item Name> (2,383)
Trihexyphenidyl hydrochloride

>  <Catalog Number> (2,383)
S4542

>  <Synonyms> (2,383)
Benzhexol hydrochloride, Artane hydrochloride

>  <Target> (2,383)
AChR

>  <Form> (2,383)
hydrochloride

>  <URL> (2,383)
http://www.selleckchem.com/products/trihexyphenidyl-hydrochloride.html

>  <CAS Number> (2,383)
52-49-3

$$$$
Trimetazidine (dihydrochloride).cdx
csChFnd80/07171813082D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,384)
2779

>  <Formula> (2,384)
C14H24Cl2N2O3

>  <MolWeight> (2,384)
339.25796

>  <Item Name> (2,384)
Trimetazidine dihydrochloride

>  <Catalog Number> (2,384)
S4543

>  <Synonyms> (2,384)
Yoshimilon, Kyurinett, Vastarel F

>  <Target> (2,384)
Others

>  <Form> (2,384)
Dihydrochloride

>  <URL> (2,384)
http://www.selleckchem.com/products/trimetazidine-dihydrochloride.html

>  <CAS Number> (2,384)
13171-25-0

$$$$
Salicylic acid.cdx
csChFnd80/07171813082D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,385)
2781

>  <Formula> (2,385)
C7H6O3

>  <MolWeight> (2,385)
138.12074

>  <Item Name> (2,385)
Salicylic acid

>  <Catalog Number> (2,385)
S4539

>  <Synonyms> (2,385)
2-Hydroxybenzoic acid

>  <Target> (2,385)
COX

>  <Form> (2,385)
Free Base

>  <URL> (2,385)
http://www.selleckchem.com/products/salicylic-acid.html

>  <CAS Number> (2,385)
69-72-7

$$$$
BI-78D3.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,386)
2782

>  <Formula> (2,386)
C13H9N5O5S2

>  <MolWeight> (2,386)
379.37106

>  <Item Name> (2,386)
BI-78D3

>  <Catalog Number> (2,386)
S8201

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>  <Form> (2,386)
Free Base

>  <URL> (2,386)
http://www.selleckchem.com/products/bi-78d3.html

>  <CAS Number> (2,386)
883065-90-5

$$$$
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>  <Synonyms> (2,387)
Trifluoromethoxy carbonylcyanide phenylhydrazone

>  <Target> (2,387)
ATPase

>  <Form> (2,387)
Free Base

>  <URL> (2,387)
http://www.selleckchem.com/products/fccp.html

>  <CAS Number> (2,387)
370-86-5

$$$$
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csChFnd80/07171813082D

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FPS-ZM1

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S8185

>  <Synonyms> (2,388)
N/A

>  <Target> (2,388)
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>  <Form> (2,388)
Free Base

>  <URL> (2,388)
http://www.selleckchem.com/products/fps-zm1.html

>  <CAS Number> (2,388)
945714-67-0

$$$$
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csChFnd80/07171813082D

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PF-8380

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>  <Synonyms> (2,389)
N/A

>  <Target> (2,389)
PDE

>  <Form> (2,389)
Free Base

>  <URL> (2,389)
http://www.selleckchem.com/products/pf-8380.html

>  <CAS Number> (2,389)
1144035-53-9

$$$$
Methylene Blue.cdx
csChFnd80/07171813082D

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2787

>  <Formula> (2,390)
C16H18ClN3S

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>  <Item Name> (2,390)
Methylene Blue

>  <Catalog Number> (2,390)
S4535

>  <Synonyms> (2,390)
Basic Blue 9, Tetramethylthionine chloride, methylthioninium chloride, CI-52015

>  <Target> (2,390)
Others

>  <Form> (2,390)
Free Base

>  <URL> (2,390)
http://www.selleckchem.com/products/methylene-blue.html

>  <CAS Number> (2,390)
61-73-4

$$$$
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M  END
>  <Mol_ID> (2,391)
2788

>  <Formula> (2,391)
C223H330N80O51

>  <MolWeight> (2,391)
4947.5117

>  <Item Name> (2,391)
APTSTAT3-9R

>  <Catalog Number> (2,391)
S8197

>  <Synonyms> (2,391)
N/A

>  <Target> (2,391)
STAT

>  <Form> (2,391)
Free Base

>  <URL> (2,391)
http://www.selleckchem.com/products/aptstat3-9r.html

>  <CAS Number> (2,391)
C223H330N80O51

$$$$
ReACp53.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,392)
2789

>  <Formula> (2,392)
C108H206N52O24

>  <MolWeight> (2,392)
2617.12524

>  <Item Name> (2,392)
ReACp53

>  <Catalog Number> (2,392)
S8187

>  <Synonyms> (2,392)
N/A

>  <Target> (2,392)
p53

>  <Form> (2,392)
Free Base

>  <URL> (2,392)
http://www.selleckchem.com/products/reacp53.html

>  <CAS Number> (2,392)
N/A

$$$$
Idramantone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,393)
2790

>  <Formula> (2,393)
C10H14O2

>  <MolWeight> (2,393)
166.21696

>  <Item Name> (2,393)
Idramantone

>  <Catalog Number> (2,393)
S4529

>  <Synonyms> (2,393)
Kemantane, 5-Hydroxy-2-adamantanone

>  <Target> (2,393)
Immunology & Inflammation related

>  <Form> (2,393)
Free Base

>  <URL> (2,393)
http://www.selleckchem.com/products/idramantone.html

>  <CAS Number> (2,393)
20098-14-0

$$$$
Eprodisate (disodium).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,394)
2791

>  <Formula> (2,394)
C3H6Na2O6S2

>  <MolWeight> (2,394)
248.18568

>  <Item Name> (2,394)
Eprodisate (disodium)

>  <Catalog Number> (2,394)
S4567

>  <Synonyms> (2,394)
NC-503

>  <Target> (2,394)
Others

>  <Form> (2,394)
disodium salt

>  <URL> (2,394)
http://www.selleckchem.com/products/eprodisate-disodium.html

>  <CAS Number> (2,394)
36589-58-9

$$$$
m-Tolyl acetate.cdx
csChFnd80/07171813082D

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    3.6334    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,395)
2792

>  <Formula> (2,395)
C9H10O2

>  <MolWeight> (2,395)
150.1745

>  <Item Name> (2,395)
m-Tolyl acetate

>  <Catalog Number> (2,395)
S4573

>  <Synonyms> (2,395)
3-Methylphenylacetate, m-Cresyl acetate, Acetic acid m-tolyl ester

>  <Target> (2,395)
Others

>  <Form> (2,395)
Free Base

>  <URL> (2,395)
http://www.selleckchem.com/products/m-tolyl-acetate.html

>  <CAS Number> (2,395)
122-46-3

$$$$
IC261.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,400)
2797

>  <Formula> (2,400)
C21H19N3O4

>  <MolWeight> (2,400)
377.39326

>  <Item Name> (2,400)
GSK481

>  <Catalog Number> (2,400)
S8169

>  <Synonyms> (2,400)
N/A

>  <Target> (2,400)
TNF-alpha

>  <Form> (2,400)
Free Base

>  <URL> (2,400)
http://www.selleckchem.com/products/gsk481.html

>  <CAS Number> (2,400)
1622849-58-4

$$$$
A-366.cdx
csChFnd80/07171813082D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,401)
2798

>  <Formula> (2,401)
C19H27N3O2

>  <MolWeight> (2,401)
329.43658

>  <Item Name> (2,401)
A-366

>  <Catalog Number> (2,401)
S7572

>  <Synonyms> (2,401)
N/A

>  <Target> (2,401)
Histone Methyltransferase

>  <Form> (2,401)
Free Base

>  <URL> (2,401)
http://www.selleckchem.com/products/a-366.html

>  <CAS Number> (2,401)
1527503-11-2

$$$$
Carsalam.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (2,402)
2799

>  <Formula> (2,402)
C8H5NO3

>  <MolWeight> (2,402)
163.1302

>  <Item Name> (2,402)
Carsalam

>  <Catalog Number> (2,402)
S4555

>  <Synonyms> (2,402)
Carbonylsalicylamide

>  <Target> (2,402)
Antifection

>  <Form> (2,402)
Free Base

>  <URL> (2,402)
http://www.selleckchem.com/products/carsalam.html

>  <CAS Number> (2,402)
2037-95-8

$$$$
S4571 Hexylresorcinol.cdx
csChFnd80/07171813082D

 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
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    1.2123    3.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,403)
2800

>  <Formula> (2,403)
C12H18O2

>  <MolWeight> (2,403)
194.27012

>  <Item Name> (2,403)
Hexylresorcinol

>  <Catalog Number> (2,403)
S4571

>  <Synonyms> (2,403)
4-Hexylresorcinol

>  <Target> (2,403)
Tyrosinase

>  <Form> (2,403)
Free Base

>  <URL> (2,403)
http://www.selleckchem.com/products/hexylresorcinol.html

>  <CAS Number> (2,403)
136-77-6

$$$$
S4569 Fluphenazine (dihydrochloride).cdx
csChFnd80/07171813082D

 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
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   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
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   11.0571    0.0008    0.0000 S   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
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,404)
2801

>  <Formula> (2,404)
C22H28Cl2F3N3OS

>  <MolWeight> (2,404)
510.4434296

>  <Item Name> (2,404)
Fluphenazine (dihydrochloride)

>  <Catalog Number> (2,404)
S4569

>  <Synonyms> (2,404)
Prolixin

>  <Target> (2,404)
Dopamine Receptor

>  <Form> (2,404)
dihydrochloride

>  <URL> (2,404)
http://www.selleckchem.com/products/fluphenazine-dihydrochloride.html

>  <CAS Number> (2,404)
146-56-5

$$$$
S4566 DL-Panthenol.cdx
csChFnd80/07171813082D

 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
    4.5249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,405)
2803

>  <Formula> (2,405)
C9H19NO4

>  <MolWeight> (2,405)
205.25146

>  <Item Name> (2,405)
DL-Panthenol

>  <Catalog Number> (2,405)
S4566

>  <Synonyms> (2,405)
DL-Pantothenol, DL-Pantothenyl alcohol

>  <Target> (2,405)
Others

>  <Form> (2,405)
Free Base

>  <URL> (2,405)
http://www.selleckchem.com/products/dl-panthenol.html

>  <CAS Number> (2,405)
16485-10-2

$$$$
S4565 Diiodohydroxyquinoline.cdx
csChFnd80/07171813082D

 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
    2.4238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4634    4.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    3.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634    5.5870    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597    3.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4099    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  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> (2,406)
2804

>  <Formula> (2,406)
C9H5I2NO

>  <MolWeight> (2,406)
396.95104

>  <Item Name> (2,406)
Diiodohydroxyquinoline

>  <Catalog Number> (2,406)
S4565

>  <Synonyms> (2,406)
Iodoquinol

>  <Target> (2,406)
Antifection

>  <Form> (2,406)
Free Base

>  <URL> (2,406)
http://www.selleckchem.com/products/diiodohydroxyquinoline.html

>  <CAS Number> (2,406)
83-73-8

$$$$
S4559 Cloxiquine.cdx
csChFnd80/07171813082D

 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
    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 Cl  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
    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
  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
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  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,407)
2805

>  <Formula> (2,407)
C9H6ClNO

>  <MolWeight> (2,407)
179.60304

>  <Item Name> (2,407)
Cloxiquine

>  <Catalog Number> (2,407)
S4559

>  <Synonyms> (2,407)
5-Chloro-8-quinolinol, Dermofungin|

>  <Target> (2,407)
Antifection

>  <Form> (2,407)
Free Base

>  <URL> (2,407)
http://www.selleckchem.com/products/cloxiquine.html

>  <CAS Number> (2,407)
130-16-5

$$$$
S4558 Citiolone.cdx
csChFnd80/07171813082D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650    0.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129    2.1644    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4131    2.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191    3.3090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027    0.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134    3.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8196    4.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6016    1.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  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
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,408)
2806

>  <Formula> (2,408)
C6H9NO2S

>  <MolWeight> (2,408)
159.20616

>  <Item Name> (2,408)
Citiolone

>  <Catalog Number> (2,408)
S4558

>  <Synonyms> (2,408)
N/A

>  <Target> (2,408)
Others

>  <Form> (2,408)
Free Base

>  <URL> (2,408)
http://www.selleckchem.com/products/citiolone.html

>  <CAS Number> (2,408)
1195-16-0

$$$$
S4556 Carzenide.cdx
csChFnd80/07171813082D

 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
    1.4038    1.4001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1979    4.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6245    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4332    5.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4332    7.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    7.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    7.6977    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
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  2  5  2  0  0  0  0
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  5 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,409)
2807

>  <Formula> (2,409)
C7H7NO4S

>  <MolWeight> (2,409)
201.19978

>  <Item Name> (2,409)
Carzenide

>  <Catalog Number> (2,409)
S4556

>  <Synonyms> (2,409)
4-Sulfamoylbenzoic acid

>  <Target> (2,409)
Others

>  <Form> (2,409)
Free Base

>  <URL> (2,409)
http://www.selleckchem.com/products/carzenide.html

>  <CAS Number> (2,409)
138-41-0

$$$$
S4553 Bronopol.cdx
csChFnd80/07171813082D

  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
    1.3523    1.3523    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3523    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    1.3523    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7146    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    2.9698    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
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,410)
2808

>  <Formula> (2,410)
C3H6BrNO4

>  <MolWeight> (2,410)
199.98804

>  <Item Name> (2,410)
Bronopol

>  <Catalog Number> (2,410)
S4553

>  <Synonyms> (2,410)
N/A

>  <Target> (2,410)
Antifection

>  <Form> (2,410)
Free Base

>  <URL> (2,410)
http://www.selleckchem.com/products/bronopol.html

>  <CAS Number> (2,410)
52-51-7

$$$$
S4549 Antimonyl (potassium tartrate trihydrate).cdx
csChFnd80/07171813082D

 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
    7.8619    2.0117    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    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
    9.3496    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3781    7.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1909    1.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2394    3.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2202    5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860    3.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2081    2.3514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9846    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    3.5639    0.0000 Sb  0  5  0  0  0  0  0  0  0  0  0  0
    4.2351    4.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0064    7.1891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   11.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2221    3.5996    0.0000 K   0  3  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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
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  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  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
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 11 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 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> (2,411)
2809

>  <Formula> (2,411)
C8H10K2O15Sb2

>  <MolWeight> (2,411)
667.8726

>  <Item Name> (2,411)
Antimonyl (potassium tartrate trihydrate)

>  <Catalog Number> (2,411)
S4549

>  <Synonyms> (2,411)
Tartar emetic

>  <Target> (2,411)
Others

>  <Form> (2,411)
Free Base

>  <URL> (2,411)
http://www.selleckchem.com/products/antimonyl-potassium-tartrate-trihydrate.html

>  <CAS Number> (2,411)
28300-74-5

$$$$
S4520 2-Aminoheptane.cdx
csChFnd80/07171813082D

  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> (2,412)
2813

>  <Formula> (2,412)
C7H17N

>  <MolWeight> (2,412)
115.21658

>  <Item Name> (2,412)
2-Aminoheptane

>  <Catalog Number> (2,412)
S4520

>  <Synonyms> (2,412)
Tuaminoheptanez, Tuamine, Heptamine, 1-Methylhexylamine, 2-Heptylamine

>  <Target> (2,412)
Others

>  <Form> (2,412)
Free Base

>  <URL> (2,412)
http://www.selleckchem.com/products/2-aminoheptane.html

>  <CAS Number> (2,412)
123-82-0

$$$$
S4516 (+)-Camphor.cdx
csChFnd80/07171813082D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    1.6574    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7041    1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    2.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    2.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    2.8686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3545    4.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7168    5.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520    0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383    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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  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> (2,413)
2814

>  <Formula> (2,413)
C10H16O

>  <MolWeight> (2,413)
152.23344

>  <Item Name> (2,413)
(+)-Camphor

>  <Catalog Number> (2,413)
S4516

>  <Synonyms> (2,413)
N/A

>  <Target> (2,413)
TRPV

>  <Form> (2,413)
Free Base

>  <URL> (2,413)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (2,413)
464-49-3

$$$$
S4594 Cephalothin.cdx
csChFnd80/07171813082D

 27 28  0  0  0  0  0  0  0  0999 V2000
    8.3513    2.8738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3545    4.2919    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5792    2.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9247    2.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9378    4.2835    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5671    4.9696    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7366    2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792    0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,414)
2815

>  <Formula> (2,414)
C16H15N2NaO6S2

>  <MolWeight> (2,414)
418.41987

>  <Item Name> (2,414)
Cephalothin

>  <Catalog Number> (2,414)
S4594

>  <Synonyms> (2,414)
Cefalotin

>  <Target> (2,414)
Antifection

>  <Form> (2,414)
Free Base

>  <URL> (2,414)
http://www.selleckchem.com/products/cephalothin.html

>  <CAS Number> (2,414)
58-71-9

$$$$
S4593 Chlormadinone acetate.cdx
csChFnd80/07171813082D

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    8.5829    6.0647    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,415)
2816

>  <Formula> (2,415)
C23H29ClO4

>  <MolWeight> (2,415)
404.92696

>  <Item Name> (2,415)
Chlormadinone acetate

>  <Catalog Number> (2,415)
S4593

>  <Synonyms> (2,415)
Gestafortin

>  <Target> (2,415)
Estrogen/progestogen

>  <Form> (2,415)
Free Base

>  <URL> (2,415)
http://www.selleckchem.com/products/chlormadinone-acetate.html

>  <CAS Number> (2,415)
302-22-7

$$$$
Tyloxapol.cdx
csChFnd80/07171813082D

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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> (2,416)
2817

>  <Formula> (2,416)
C51H80O6R5

>  <MolWeight> (2,416)
789.1773

>  <Item Name> (2,416)
Tyloxapol

>  <Catalog Number> (2,416)
S4578

>  <Synonyms> (2,416)
Triton WR1339

>  <Target> (2,416)
Others

>  <Form> (2,416)
Free Base

>  <URL> (2,416)
http://www.selleckchem.com/products/tyloxapol.html

>  <CAS Number> (2,416)
25301-02-4

$$$$
Halothane.cdx
csChFnd80/07171813082D

  7  6  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,417)
2818

>  <Formula> (2,417)
C2HBrClF3

>  <MolWeight> (2,417)
197.3815496

>  <Item Name> (2,417)
Halothane

>  <Catalog Number> (2,417)
S4570

>  <Synonyms> (2,417)
Narcotane

>  <Target> (2,417)
Others

>  <Form> (2,417)
Free Base

>  <URL> (2,417)
http://www.selleckchem.com/products/halothane.html

>  <CAS Number> (2,417)
151-67-7

$$$$
Terpin (hydrate).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,418)
2819

>  <Formula> (2,418)
C10H22O3

>  <MolWeight> (2,418)
190.27988

>  <Item Name> (2,418)
Terpin (hydrate)

>  <Catalog Number> (2,418)
S4577

>  <Synonyms> (2,418)
N/A

>  <Target> (2,418)
Others

>  <Form> (2,418)
hydrate

>  <URL> (2,418)
http://www.selleckchem.com/products/terpin-hydrate.html

>  <CAS Number> (2,418)
2451-01-6

$$$$
Triacetin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,419)
2820

>  <Formula> (2,419)
C9H14O6

>  <MolWeight> (2,419)
218.20386

>  <Item Name> (2,419)
Triacetin

>  <Catalog Number> (2,419)
S4581

>  <Synonyms> (2,419)
	Glycerol triacetate, Glyceryl triacetate, Glycerin triacetate, 1,2,3-Triacetoxypropane

>  <Target> (2,419)
Others

>  <Form> (2,419)
Free Base

>  <URL> (2,419)
http://www.selleckchem.com/products/triacetin.html

>  <CAS Number> (2,419)
102-76-1

$$$$
Xylitol.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,420)
2821

>  <Formula> (2,420)
C5H12O5

>  <MolWeight> (2,420)
152.14578

>  <Item Name> (2,420)
Xylitol

>  <Catalog Number> (2,420)
S4546

>  <Synonyms> (2,420)
Adonitol, Ribitol, Xylite, D-Xylitol, Adonite

>  <Target> (2,420)
Others

>  <Form> (2,420)
Free Base

>  <URL> (2,420)
http://www.selleckchem.com/products/xylitol.html

>  <CAS Number> (2,420)
87-99-0

$$$$
Urethane.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,421)
2822

>  <Formula> (2,421)
C3H7NO2

>  <MolWeight> (2,421)
89.09318

>  <Item Name> (2,421)
Urethane

>  <Catalog Number> (2,421)
S4544

>  <Synonyms> (2,421)
Carbamic acid ethyl ester, Ethyl carbamate, Ethylurethane

>  <Target> (2,421)
Others

>  <Form> (2,421)
Free Base

>  <URL> (2,421)
http://www.selleckchem.com/products/urethane.html

>  <CAS Number> (2,421)
51-79-6

$$$$
GSK2292767.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,422)
2823

>  <Formula> (2,422)
C24H28N6O5S

>  <MolWeight> (2,422)
512.58132

>  <Item Name> (2,422)
GSK2292767

>  <Catalog Number> (2,422)
S7938

>  <Synonyms> (2,422)
N/A

>  <Target> (2,422)
PI3K

>  <Form> (2,422)
Free Base

>  <URL> (2,422)
http://www.selleckchem.com/products/gsk2292767.html

>  <CAS Number> (2,422)
1254036-66-2

$$$$
AMG337.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,423)
2824

>  <Formula> (2,423)
C23H22FN7O3

>  <MolWeight> (2,423)
463.4642832

>  <Item Name> (2,423)
AMG 337

>  <Catalog Number> (2,423)
S8167

>  <Synonyms> (2,423)
N/A

>  <Target> (2,423)
c-Met

>  <Form> (2,423)
Free Base

>  <URL> (2,423)
http://www.selleckchem.com/products/amg-337.html

>  <CAS Number> (2,423)
1173699-31-4

$$$$
ZM241385.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,424)
2825

>  <Formula> (2,424)
C16H15N7O2

>  <MolWeight> (2,424)
337.336

>  <Item Name> (2,424)
ZM241385

>  <Catalog Number> (2,424)
S8105

>  <Synonyms> (2,424)
N/A
N/A

>  <Target> (2,424)
Adenosine Receptor

>  <Form> (2,424)
Free Base

>  <URL> (2,424)
http://www.selleckchem.com/products/zm241385.html

>  <CAS Number> (2,424)
139180-30-6

$$$$
SKF96365.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,425)
2826

>  <Formula> (2,425)
C22H27ClN2O3

>  <MolWeight> (2,425)
402.91438

>  <Item Name> (2,425)
SKF96365

>  <Catalog Number> (2,425)
S7999

>  <Synonyms> (2,425)
N/A

>  <Target> (2,425)
Calcium Channel

>  <Form> (2,425)
Hydrochloride

>  <URL> (2,425)
http://www.selleckchem.com/products/skf96365.html

>  <CAS Number> (2,425)
130495-35-1

$$$$
S4600 Benzyl alcohol.cdx
csChFnd80/07171813082D

  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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    0.0000    0.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    4.8846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    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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  1  4  1  0  0  0  0
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  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,426)
2827

>  <Formula> (2,426)
C7H8O

>  <MolWeight> (2,426)
108.13782

>  <Item Name> (2,426)
Benzyl alcohol

>  <Catalog Number> (2,426)
S4600

>  <Synonyms> (2,426)
Phenylmethanol, Benzenemethanol, Phenylcarbinol, Benzoyl alcohol

>  <Target> (2,426)
Others

>  <Form> (2,426)
Free Base

>  <URL> (2,426)
http://www.selleckchem.com/products/benzyl-alcohol.html

>  <CAS Number> (2,426)
100-51-6

$$$$
S4599 Benzyl benzoate.cdx
csChFnd80/07171813082D

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    0.0000    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
    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> (2,427)
2828

>  <Formula> (2,427)
C14H12O2

>  <MolWeight> (2,427)
212.24388

>  <Item Name> (2,427)
Benzyl benzoate

>  <Catalog Number> (2,427)
S4599

>  <Synonyms> (2,427)
Ascabiol, Novoscabin, Scabitox, Benzoic acid benzyl ester

>  <Target> (2,427)
Others

>  <Form> (2,427)
Free Base

>  <URL> (2,427)
http://www.selleckchem.com/products/benzyl-benzoate.html

>  <CAS Number> (2,427)
120-51-4

$$$$
S4597 Lercanidipine (hydrochloride).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,428)
2829

>  <Formula> (2,428)
C36H42ClN3O6

>  <MolWeight> (2,428)
648.18818

>  <Item Name> (2,428)
Lercanidipine (hydrochloride)

>  <Catalog Number> (2,428)
S4597

>  <Synonyms> (2,428)
Zanidip (hydrochloride), Masnidipine (hydrochloride)

>  <Target> (2,428)
Calcium Channel

>  <Form> (2,428)
hydrochloride

>  <URL> (2,428)
http://www.selleckchem.com/products/lercanidipine-hydrochloride.html

>  <CAS Number> (2,428)
132866-11-6

$$$$
S4596 Cefixime.cdx
csChFnd80/07171813082D

 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
    3.5846    5.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2992    7.1926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.3130    5.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.3561    8.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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 31  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  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
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 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 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> (2,429)
2830

>  <Formula> (2,429)
C16H15N5O7S2

>  <MolWeight> (2,429)
453.4496

>  <Item Name> (2,429)
Cefixime

>  <Catalog Number> (2,429)
S4596

>  <Synonyms> (2,429)
Cefixima, Cefiximum, Cephoral, Cefspan, FR-17027, FK-027, CL-284635

>  <Target> (2,429)
Antifection

>  <Form> (2,429)
Free Base

>  <URL> (2,429)
http://www.selleckchem.com/products/cefixime.html

>  <CAS Number> (2,429)
79350-37-1

$$$$
S4595 Cefazolin (sodium).cdx
csChFnd80/07171813082D

 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
    7.2097    6.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6109    4.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7169    0.8640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3319    3.5420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4774    5.5135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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
 20 24  1  0  0  0  0
 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> (2,430)
2831

>  <Formula> (2,430)
C14H13N8NaO4S3

>  <MolWeight> (2,430)
476.48899

>  <Item Name> (2,430)
Cefazolin Sodium

>  <Catalog Number> (2,430)
S4595

>  <Synonyms> (2,430)
cefazoline sodium, cephazolin sodium, Ancef

>  <Target> (2,430)
Antifection

>  <Form> (2,430)
Sodium Salt

>  <URL> (2,430)
http://www.selleckchem.com/products/cefazolin-sodium.html

>  <CAS Number> (2,430)
27164-46-1

$$$$
S4591 Nitroxoline.cdx
csChFnd80/07171813082D

 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> (2,431)
2832

>  <Formula> (2,431)
C9H6N2O3

>  <MolWeight> (2,431)
190.15554

>  <Item Name> (2,431)
Nitroxoline

>  <Catalog Number> (2,431)
S4591

>  <Synonyms> (2,431)
8-Hydroxy-5-nitroquinoline, 5-nitroquinolin-8-ol, 5-Nitro-8-quinolinol|5-Nitro-8-hydroxyquinoline

>  <Target> (2,431)
Topoisomerase

>  <Form> (2,431)
Free Base

>  <URL> (2,431)
http://www.selleckchem.com/products/nitroxoline.html

>  <CAS Number> (2,431)
4008-48-4

$$$$
S4587 Dithranol.cdx
csChFnd80/07171813082D

 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> (2,432)
2833

>  <Formula> (2,432)
C6H10N4

>  <MolWeight> (2,432)
138.1704

>  <Item Name> (2,432)
Pentylenetetrazol

>  <Catalog Number> (2,432)
S4587

>  <Synonyms> (2,432)
	Pentylenetetrazole, Metrazole, pentetrazol, pentamethylenetetrazol, Corazol, Cardiazol, PTZ

>  <Target> (2,432)
GABA Receptor

>  <Form> (2,432)
Free Base

>  <URL> (2,432)
http://www.selleckchem.com/products/pentylenetetrazol.html

>  <CAS Number> (2,432)
54-95-5

$$$$
S4586 4-Chloro-DL-phenylalanine.cdx
csChFnd80/07171813082D

 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> (2,433)
2834

>  <Formula> (2,433)
C9H10ClNO2

>  <MolWeight> (2,433)
199.6342

>  <Item Name> (2,433)
4-Chloro-DL-phenylalanine

>  <Catalog Number> (2,433)
S4586

>  <Synonyms> (2,433)
Fenclonine, PCPA, CP-10188

>  <Target> (2,433)
Hydroxylase

>  <Form> (2,433)
Free Base

>  <URL> (2,433)
http://www.selleckchem.com/products/4-chloro-dl-phenylalanine.html

>  <CAS Number> (2,433)
7424-00-2

$$$$
S4585 Succinylsulfathiazole.cdx
csChFnd80/07171813082D

 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
    3.4996    4.8495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (2,434)
2835

>  <Formula> (2,434)
C13H13N3O5S2

>  <MolWeight> (2,434)
355.38942

>  <Item Name> (2,434)
Succinylsulfathiazole

>  <Catalog Number> (2,434)
S4585

>  <Synonyms> (2,434)
Succinylsulphathiazole

>  <Target> (2,434)
Antifection

>  <Form> (2,434)
Free Base

>  <URL> (2,434)
http://www.selleckchem.com/products/succinylsulfathiazole.html

>  <CAS Number> (2,434)
116-43-8

$$$$
S4584 Butylparaben.cdx
csChFnd80/07171813082D

 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
    0.0000    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7057    2.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9177    2.1213    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
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  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
  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> (2,435)
2836

>  <Formula> (2,435)
C11H14O3

>  <MolWeight> (2,435)
194.22706

>  <Item Name> (2,435)
Butylparaben

>  <Catalog Number> (2,435)
S4584

>  <Synonyms> (2,435)
Butyl parahydroxybenzoate, Butyl paraben, Butyl 4-hydroxybenzoate

>  <Target> (2,435)
Antifection

>  <Form> (2,435)
Free Base

>  <URL> (2,435)
http://www.selleckchem.com/products/butylparaben.html

>  <CAS Number> (2,435)
94-26-8

$$$$
S4583 Butamben.cdx
csChFnd80/07171813082D

 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
    3.6373    0.7000    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    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
    7.2746    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
    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
    9.6995    2.8000    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
  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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  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
 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> (2,436)
2837

>  <Formula> (2,436)
C11H15NO2

>  <MolWeight> (2,436)
193.2423

>  <Item Name> (2,436)
Butamben

>  <Catalog Number> (2,436)
S4583

>  <Synonyms> (2,436)
Butyl 4-aminobenzoate

>  <Target> (2,436)
Others

>  <Form> (2,436)
Free Base

>  <URL> (2,436)
http://www.selleckchem.com/products/butamben.html

>  <CAS Number> (2,436)
94-25-7

$$$$
S4580 Hydroquinone.cdx
csChFnd80/07171813082D

  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> (2,437)
2838

>  <Formula> (2,437)
C6H6O2

>  <MolWeight> (2,437)
110.11064

>  <Item Name> (2,437)
Hydroquinone

>  <Catalog Number> (2,437)
S4580

>  <Synonyms> (2,437)
Quinol, 1,4-Benzenediol, 1,4-Dihydroxybenzene, HQ

>  <Target> (2,437)
ROS

>  <Form> (2,437)
Free Base

>  <URL> (2,437)
http://www.selleckchem.com/products/hydroquinone.html

>  <CAS Number> (2,437)
123-31-9

$$$$
S4576 Sulfabenzamide.cdx
csChFnd80/07171813082D

 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
    7.2712    1.4045    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
    9.6995    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829    4.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9227    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7065    5.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9227    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  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
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,438)
2839

>  <Formula> (2,438)
C13H12N2O3S

>  <MolWeight> (2,438)
276.31098

>  <Item Name> (2,438)
Sulfabenzamide

>  <Catalog Number> (2,438)
S4576

>  <Synonyms> (2,438)
Sultrin, N-Sulfanilylbenzamide

>  <Target> (2,438)
Antifection

>  <Form> (2,438)
Free Base

>  <URL> (2,438)
http://www.selleckchem.com/products/sulfabenzamide.html

>  <CAS Number> (2,438)
127-71-9

$$$$
S4575 Pralidoxime (chloride).cdx
csChFnd80/07171813082D

 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
    1.2020    1.3798    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4173    3.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6091    1.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    4.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8143    2.0747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    1.3798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5648    3.6536    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  2  0  0  0  0
  4  8  2  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
M  END
>  <Mol_ID> (2,439)
2840

>  <Formula> (2,439)
C7H9ClN2O

>  <MolWeight> (2,439)
172.61216

>  <Item Name> (2,439)
Pralidoxime (chloride)

>  <Catalog Number> (2,439)
S4575

>  <Synonyms> (2,439)
2-PAM (chloride)

>  <Target> (2,439)
AChR

>  <Form> (2,439)
Free Base

>  <URL> (2,439)
http://www.selleckchem.com/products/pralidoxime-chloride.html

>  <CAS Number> (2,439)
51-15-0

$$$$
Cefuroxime sodium.cdx
csChFnd80/07171813082D

 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
    4.8493    4.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6591    3.6805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
   12.0088    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6464    1.7146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2941    1.3523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9318    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4491    2.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3611    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8648    4.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2627    4.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6230    3.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6469    6.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    6.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    6.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    8.1445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6607    8.8879    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6472    3.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  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 13  1  1  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
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 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 24  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 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
  6 31  1  6  0  0  0
M  END
>  <Mol_ID> (2,440)
2841

>  <Formula> (2,440)
C16H15N4NaO8S

>  <MolWeight> (2,440)
446.36707

>  <Item Name> (2,440)
Cefuroxime sodium

>  <Catalog Number> (2,440)
S4620

>  <Synonyms> (2,440)
N/A

>  <Target> (2,440)
Antifection

>  <Form> (2,440)
Sodium Salt

>  <URL> (2,440)
http://www.selleckchem.com/products/cefuroxime-sodium.html

>  <CAS Number> (2,440)
56238-63-2

$$$$
S4619 Itopride hydrochloride.cdx
csChFnd80/07171813082D

 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
    1.1705    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0674    2.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,441)
2842

>  <Formula> (2,441)
C20H27ClN2O4

>  <MolWeight> (2,441)
394.89238

>  <Item Name> (2,441)
Itopride hydrochloride

>  <Catalog Number> (2,441)
S4619

>  <Synonyms> (2,441)
Ganaton, HSR803

>  <Target> (2,441)
AChR

>  <Form> (2,441)
hydrochloride

>  <URL> (2,441)
http://www.selleckchem.com/products/itopride-hydrochloride.html

>  <CAS Number> (2,441)
122892-31-3

$$$$
S4574 Piperazine.cdx
csChFnd80/07171813082D

  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
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  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> (2,442)
2843

>  <Formula> (2,442)
C4H10N2

>  <MolWeight> (2,442)
86.1356

>  <Item Name> (2,442)
Piperazine

>  <Catalog Number> (2,442)
S4574

>  <Synonyms> (2,442)
1,4-Diazacyclohexane, Diethylenediamine, exahydropyrazine, Piperazidine

>  <Target> (2,442)
GABA Receptor

>  <Form> (2,442)
Free Base

>  <URL> (2,442)
http://www.selleckchem.com/products/piperazine.html

>  <CAS Number> (2,442)
110-85-0

$$$$
Sisomicin sulfate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,443)
2844

>  <Formula> (2,443)
C38H84N10O34S5

>  <MolWeight> (2,443)
1385.44516

>  <Item Name> (2,443)
Sisomicin sulfate

>  <Catalog Number> (2,443)
S4540

>  <Synonyms> (2,443)
N/A

>  <Target> (2,443)
Antifection

>  <Form> (2,443)
2.5Sulfate

>  <URL> (2,443)
http://www.selleckchem.com/products/sisomicin-sulfate.html

>  <CAS Number> (2,443)
53179-09-2

$$$$
S4589 Amodiaquin (dihydrochloride dihydrate).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,444)
2845

>  <Formula> (2,444)
C20H28Cl3N3O3

>  <MolWeight> (2,444)
464.81362

>  <Item Name> (2,444)
Amodiaquin (dihydrochloride dihydrate)

>  <Catalog Number> (2,444)
S4589

>  <Synonyms> (2,444)
N/A

>  <Target> (2,444)
Transferase,Histone

>  <Form> (2,444)
dihydrochloride dihydrate

>  <URL> (2,444)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

>  <CAS Number> (2,444)
6398-98-7

$$$$
NQDI-1.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,445)
2846

>  <Formula> (2,445)
C19H13NO4

>  <MolWeight> (2,445)
319.31082

>  <Item Name> (2,445)
NQDI-1

>  <Catalog Number> (2,445)
S8289

>  <Synonyms> (2,445)
N/A

>  <Target> (2,445)
Caspase

>  <Form> (2,445)
Free Base

>  <URL> (2,445)
http://www.selleckchem.com/products/nqdi-1.html

>  <CAS Number> (2,445)
175026-96-7

$$$$
S4592 SBE-¦Â-CD.cdx
csChFnd80/07171813082D

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n
M  END
>  <Mol_ID> (2,446)
2847

>  <Formula> (2,446)
C50H82Na2O41RS2

>  <MolWeight> (2,446)
1449.27102

>  <Item Name> (2,446)
Captisol (SBE-¦Â-CD)

>  <Catalog Number> (2,446)
S4592

>  <Synonyms> (2,446)
Sulfobutylether-¦Â-Cyclodextrin

>  <Target> (2,446)
Others

>  <Form> (2,446)
Free Base

>  <URL> (2,446)
http://www.selleckchem.com/products/sbe-b-cd.html

>  <CAS Number> (2,446)
182410-00-0

$$$$
S4625 Alcaftadine.cdx
csChFnd80/07171813082D

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  6  4  1  0  0  0  0
 13  5  1  0  0  0  0
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 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
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 20 10  1  0  0  0  0
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 21 11  1  0  0  0  0
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M  END
>  <Mol_ID> (2,447)
2848

>  <Formula> (2,447)
C19H21N3O

>  <MolWeight> (2,447)
307.38954

>  <Item Name> (2,447)
Alcaftadine

>  <Catalog Number> (2,447)
S4625

>  <Synonyms> (2,447)
Lastacaft, R89674, R 89674, R-89674

>  <Target> (2,447)
Histamine Receptor

>  <Form> (2,447)
Free Base

>  <URL> (2,447)
http://www.selleckchem.com/products/alcaftadine.html

>  <CAS Number> (2,447)
147084-10-4

$$$$
S4632 Hexachlorophene.cdx
csChFnd80/07171813082D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    2.1954    3.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 20  1  0  0  0  0
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M  END
>  <Mol_ID> (2,448)
2849

>  <Formula> (2,448)
C13H6Cl6O2

>  <MolWeight> (2,448)
406.90354

>  <Item Name> (2,448)
Hexachlorophene

>  <Catalog Number> (2,448)
S4632

>  <Synonyms> (2,448)
Hexachlorofen, Fostril, Nabac, pHisoHex

>  <Target> (2,448)
Potassium Channel

>  <Form> (2,448)
Free Base

>  <URL> (2,448)
http://www.selleckchem.com/products/hexachlorophene.html

>  <CAS Number> (2,448)
70-30-4

$$$$
S4630 Diazoxide.cdx
csChFnd80/07171813082D

 14 15  0  0  0  0  0  0  0  0999 V2000
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    6.0860    2.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2179    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3039    4.0923    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  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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  5 10  2  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  9  1  0  0  0  0
  8 12  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,449)
2850

>  <Formula> (2,449)
C8H7ClN2O2S

>  <MolWeight> (2,449)
230.67138

>  <Item Name> (2,449)
Diazoxide

>  <Catalog Number> (2,449)
S4630

>  <Synonyms> (2,449)
Sch-6783, SRG-95213, Proglycem

>  <Target> (2,449)
Potassium Channel

>  <Form> (2,449)
Free Base

>  <URL> (2,449)
http://www.selleckchem.com/products/diazoxide.html

>  <CAS Number> (2,449)
364-98-7

$$$$
S4629 Chlorotrianisene.cdx
csChFnd80/07171813082D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    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
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    4.9003    1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,450)
2851

>  <Formula> (2,450)
C23H21ClO3

>  <MolWeight> (2,450)
380.86404

>  <Item Name> (2,450)
Chlorotrianisene

>  <Catalog Number> (2,450)
S4629

>  <Synonyms> (2,450)
tri-p-anisylchloroethylene, tris(p-methoxyphenyl)chloroethylene, TACE, CTA

>  <Target> (2,450)
Estrogen/progestogen Receptor

>  <Form> (2,450)
Free Base

>  <URL> (2,450)
http://www.selleckchem.com/products/chlorotrianisene.html

>  <CAS Number> (2,450)
569-57-3

$$$$
S4628 (+-)-Sulfinpyrazone.cdx
csChFnd80/07171813082D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.5391    4.9992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8850    3.7785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4981    4.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4545    6.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7823    4.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8936    2.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,451)
2852

>  <Formula> (2,451)
C23H20N2O3S

>  <MolWeight> (2,451)
404.4815

>  <Item Name> (2,451)
(+/-)-Sulfinpyrazone

>  <Catalog Number> (2,451)
S4628

>  <Synonyms> (2,451)
G-28315, NSC 75925

>  <Target> (2,451)
COX

>  <Form> (2,451)
Free Base

>  <URL> (2,451)
http://www.selleckchem.com/products/sulfinpyrazone.html

>  <CAS Number> (2,451)
57-96-5

$$$$
S4626 ETHOSUXIMIDE.cdx
csChFnd80/07171813082D

 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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    1.8050    2.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (2,452)
2853

>  <Formula> (2,452)
C7H11NO2

>  <MolWeight> (2,452)
141.16774

>  <Item Name> (2,452)
Ethosuximide

>  <Catalog Number> (2,452)
S4626

>  <Synonyms> (2,452)
N/A

>  <Target> (2,452)
Calcium Channel

>  <Form> (2,452)
Free Base

>  <URL> (2,452)
http://www.selleckchem.com/products/ethosuximide.html

>  <CAS Number> (2,452)
77-67-8

$$$$
S4618 Fenoldopam (mesylate).cdx
csChFnd80/07171813082D

 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
    6.0906    5.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7091    7.0224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061    8.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7571    8.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484    7.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    8.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4177    5.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360    4.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1411    3.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    2.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8108    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1058    1.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4942    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4983    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    9.8597    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0097    8.4676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9659    3.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3659    3.6529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3659    5.0529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3659    2.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    3.6529    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  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 11  2  0  0  0  0
  1  7  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
  2 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,453)
2854

>  <Formula> (2,453)
C17H20ClNO6S

>  <MolWeight> (2,453)
401.8618

>  <Item Name> (2,453)
Fenoldopam (mesylate)

>  <Catalog Number> (2,453)
S4618

>  <Synonyms> (2,453)
SKF 82526 (mesylate), Fenoldopam methanesulfonate, Corlopam mesylate

>  <Target> (2,453)
Dopamine Receptor

>  <Form> (2,453)
mesylate

>  <URL> (2,453)
http://www.selleckchem.com/products/fenoldopam-mesylate.html

>  <CAS Number> (2,453)
67227-57-0

$$$$
S4617 Dextromethorphan hydrobromide hydrate.cdx
csChFnd80/07171813082D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.6599    0.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7818    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    3.7987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2000    3.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.0112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.6000    6.2236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7000    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    6.2236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6066    4.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6599    7.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3090    7.4137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3252    8.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  1  6  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 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
  3 20  1  6  0  0  0
 20 21  1  0  0  0  0
 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> (2,454)
2855

>  <Formula> (2,454)
C18H28BrNO2

>  <MolWeight> (2,454)
370.32442

>  <Item Name> (2,454)
Dextromethorphan (hydrobromide hydrate)

>  <Catalog Number> (2,454)
S4617

>  <Synonyms> (2,454)
Dextromethorphan hydrobromide monohydrate

>  <Target> (2,454)
AChR

>  <Form> (2,454)
hydrobromide

>  <URL> (2,454)
http://www.selleckchem.com/products/dextromethorphan-hydrobromide-hydrate.html

>  <CAS Number> (2,454)
6700-34-1

$$$$
Tubercidin.cdx
csChFnd80/07171813082D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2566    6.3643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    4.2618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    6.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    7.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    4.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    6.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    8.4642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.9250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2989    0.9250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0137    1.7463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1190    2.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    1.7463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2989    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2145    2.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5716    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 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  1  0  0  0
 12 16  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (2,455)
2857

>  <Formula> (2,455)
C11H14N4O4

>  <MolWeight> (2,455)
266.25326

>  <Item Name> (2,455)
Tubercidin

>  <Catalog Number> (2,455)
S8095

>  <Synonyms> (2,455)
7-deaza-adenosine

>  <Target> (2,455)
DNA/RNA Synthesis

>  <Form> (2,455)
Free Base

>  <URL> (2,455)
http://www.selleckchem.com/products/tubercidin.html

>  <CAS Number> (2,455)
69-33-0

$$$$
L755507.cdx
csChFnd80/07171813082D

 41 43  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
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  2  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    6.3000    0.0000 O   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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   13.3368    4.2000    0.0000 C   0  0  0  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
   16.9741    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0321    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2403    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4485    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2403    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6568    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6568    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4443    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4443    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2361    4.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  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  1  1  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  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
 19 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
 23 26  2  0  0  0  0
 24 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 24  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 41  1  0  0  0  0
M  END
>  <Mol_ID> (2,456)
2858

>  <Formula> (2,456)
C30H40N4O6S

>  <MolWeight> (2,456)
584.7268

>  <Item Name> (2,456)
L755507

>  <Catalog Number> (2,456)
S7974

>  <Synonyms> (2,456)
N/A

>  <Target> (2,456)
Adrenergic Receptor

>  <Form> (2,456)
Free Base

>  <URL> (2,456)
http://www.selleckchem.com/products/l755507.html

>  <CAS Number> (2,456)
159182-43-1

$$$$
S4582 Eflornithine  hydrochloride  hydrate.cdx
csChFnd80/07171813082D

 14 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2794    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    4.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    5.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7497    3.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    5.4918    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7043    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,457)
2859

>  <Formula> (2,457)
C6H15ClF2N2O3

>  <MolWeight> (2,457)
236.6447064

>  <Item Name> (2,457)
Eflornithine hydrochloride hydrate

>  <Catalog Number> (2,457)
S4582

>  <Synonyms> (2,457)
Difluoromethylornithine hydrochloride hydrate

>  <Target> (2,457)
Decarboxylase

>  <Form> (2,457)
hydrochloride hydrate

>  <URL> (2,457)
http://www.selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

>  <CAS Number> (2,457)
96020-91-6

$$$$
S4639 Brexpiprazole.cdx
csChFnd80/07171813082D

 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
   14.3619    2.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,458)
2860

>  <Formula> (2,458)
C25H27N3O2S

>  <MolWeight> (2,458)
433.56578

>  <Item Name> (2,458)
Brexpiprazole

>  <Catalog Number> (2,458)
S4639

>  <Synonyms> (2,458)
OPC-34712, OPC 34712, OPC34712

>  <Target> (2,458)
Dopamine Receptor

>  <Form> (2,458)
Free Base

>  <URL> (2,458)
http://www.selleckchem.com/products/brexpiprazole.html

>  <CAS Number> (2,458)
913611-97-9

$$$$
S4640 Lesinurad.cdx
csChFnd80/07171813082D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    3.1641    8.9668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 15 20  1  0  0  0  0
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  9 11  1  0  0  0  0
 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> (2,459)
2862

>  <Formula> (2,459)
C17H14BrN3O2S

>  <MolWeight> (2,459)
404.28096

>  <Item Name> (2,459)
Lesinurad

>  <Catalog Number> (2,459)
S4640

>  <Synonyms> (2,459)
RDEA 594, RDEA-594, RDEA594

>  <Target> (2,459)
Others

>  <Form> (2,459)
Free Base

>  <URL> (2,459)
http://www.selleckchem.com/products/lesinurad.html

>  <CAS Number> (2,459)
878672-00-5

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/07171813082D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.9188    5.6000    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
A   23
?1.5H2O?
M  END
>  <Mol_ID> (2,460)
2863

>  <Formula> (2,460)
C21H22ClNR

>  <MolWeight> (2,460)
323.85908

>  <Item Name> (2,460)
Cyproheptadine hydrochloride

>  <Catalog Number> (2,460)
S4635

>  <Synonyms> (2,460)
Periactin hydrochloride, Peritol

>  <Target> (2,460)
5-HT Receptor

>  <Form> (2,460)
Hydrochloride Sesquihydrate

>  <URL> (2,460)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride.html

>  <CAS Number> (2,460)
41354-29-4

$$$$
S4612 Dapson.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,461)
2864

>  <Formula> (2,461)
C12H12N2O2S

>  <MolWeight> (2,461)
248.30088

>  <Item Name> (2,461)
Dapson

>  <Catalog Number> (2,461)
S4612

>  <Synonyms> (2,461)
Dapsone, 4,4¡ä-Diaminodiphenyl sulfone, 4,4¡ä-Sulfonyldianiline, 4-Aminophenyl sulfone, Bis sulfone, 

>  <Target> (2,461)
Antifection

>  <Form> (2,461)
Free Base

>  <URL> (2,461)
http://www.selleckchem.com/products/dapson.html

>  <CAS Number> (2,461)
80-08-0

$$$$
S4610 Mebendazole.cdx
csChFnd80/07171813082D

 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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   10.8104    1.3697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6101    3.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7946    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  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7  9  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
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  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
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,462)
2865

>  <Formula> (2,462)
C16H13N3O3

>  <MolWeight> (2,462)
295.29272

>  <Item Name> (2,462)
Mebendazole

>  <Catalog Number> (2,462)
S4610

>  <Synonyms> (2,462)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (2,462)
Antifection

>  <Form> (2,462)
Free Base

>  <URL> (2,462)
http://www.selleckchem.com/products/mebendazole.html

>  <CAS Number> (2,462)
31431-39-7

$$$$
S4605 Folic acid.cdx
csChFnd80/07171813082D

 32 34  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 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
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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  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    0.0000    0.0000 O   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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    7.2746    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
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9000    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
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 10  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 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
 21 23  2  0  0  0  0
 24 22  1  1  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  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (2,463)
2866

>  <Formula> (2,463)
C19H19N7O6

>  <MolWeight> (2,463)
441.39746

>  <Item Name> (2,463)
Folic acid

>  <Catalog Number> (2,463)
S4605

>  <Synonyms> (2,463)
Folacin, Vitamin B9, Vitamin M, Pteroylglutamic acid, Folate

>  <Target> (2,463)
Vitamin

>  <Form> (2,463)
Free Base

>  <URL> (2,463)
http://www.selleckchem.com/products/folic-acid.html

>  <CAS Number> (2,463)
59-30-3

$$$$
S4604 Levofloxacin hydrate.cdx
csChFnd80/07171813082D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    7.1805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    8.3929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2000    9.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    8.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    7.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    4.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.3307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612    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  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  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
 17 18  1  0  0  0  0
 12 18  1  0  0  0  0
 11 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  2  0  0  0  0
 22 25  1  0  0  0  0
  5 25  1  0  0  0  0
 10 25  2  0  0  0  0
  2 26  1  0  0  0  0
A   27
0.5H2O
M  END
>  <Mol_ID> (2,464)
2867

>  <Formula> (2,464)
C18H20FN3O4R

>  <MolWeight> (2,464)
361.3675032

>  <Item Name> (2,464)
Levofloxacin hydrate

>  <Catalog Number> (2,464)
S4604

>  <Synonyms> (2,464)
Levofloxacin hemihydrate, Levaquin hydrate, Tavanic hydrate, Quixin hydrate, Iquix hydrate, 

>  <Target> (2,464)
Topoisomerase

>  <Form> (2,464)
hydrate

>  <URL> (2,464)
http://www.selleckchem.com/products/levofloxacin-hydrate.html

>  <CAS Number> (2,464)
138199-71-0

$$$$
S4603 Gallic acid.cdx
csChFnd80/07171813082D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   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
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 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
  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 11  1  0  0  0  0
  6  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,465)
2868

>  <Formula> (2,465)
C7H6O5

>  <MolWeight> (2,465)
170.11954

>  <Item Name> (2,465)
Gallic acid

>  <Catalog Number> (2,465)
S4603

>  <Synonyms> (2,465)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

>  <Target> (2,465)
ROS

>  <Form> (2,465)
Free Base

>  <URL> (2,465)
http://www.selleckchem.com/products/gallic-acid.html

>  <CAS Number> (2,465)
149-91-7

$$$$
S4609 Diflunisal.cdx
csChFnd80/07171813082D

 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    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
    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
    4.8497    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 F   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 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
    1.2124    4.2000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 F   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
    9.6995    2.1000    0.0000 O   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  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  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
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  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
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,466)
2869

>  <Formula> (2,466)
C13H8F2O3

>  <MolWeight> (2,466)
250.1976264

>  <Item Name> (2,466)
Diflunisal

>  <Catalog Number> (2,466)
S4609

>  <Synonyms> (2,466)
Dolobid, Dolobis, Flovacil, Fluniget

>  <Target> (2,466)
COX

>  <Form> (2,466)
Free Base

>  <URL> (2,466)
http://www.selleckchem.com/products/diflunisal.html

>  <CAS Number> (2,466)
22494-42-4

$$$$
S4638 Desogestrel.cdx
csChFnd80/07171813082D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.0611    4.1866    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0611    2.8075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4034    4.5918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7964    4.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    5.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    2.1117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4034    2.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1768    3.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4034    5.9587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    4.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    6.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    2.8075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8415    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3163    4.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433    2.1117    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6219    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    2.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    1.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    3.2126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4227    3.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7395    5.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0738    5.4398    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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  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 22  1  6  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
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M  END
>  <Mol_ID> (2,471)
2875

>  <Formula> (2,471)
C19H18N2O4S

>  <MolWeight> (2,471)
370.42222

>  <Item Name> (2,471)
Parecoxib

>  <Catalog Number> (2,471)
S4656

>  <Synonyms> (2,471)
SC-69124, Valus-P, Vorth-P

>  <Target> (2,471)
COX

>  <Form> (2,471)
Free Base

>  <URL> (2,471)
http://www.selleckchem.com/products/parecoxib.html

>  <CAS Number> (2,471)
198470-84-7

$$$$
S4653 L-Ornithine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,472)
2876

>  <Formula> (2,472)
C5H12N2O2

>  <MolWeight> (2,472)
132.16098

>  <Item Name> (2,472)
L-Ornithine

>  <Catalog Number> (2,472)
S4653

>  <Synonyms> (2,472)
(S)-2,5-Diaminopentanoic acid

>  <Target> (2,472)
Others

>  <Form> (2,472)
Free Base

>  <URL> (2,472)
http://www.selleckchem.com/products/l-ornithine.html

>  <CAS Number> (2,472)
70-26-8

$$$$
S4652 Sulisobenzone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,473)
2877

>  <Formula> (2,473)
C14H12O6S

>  <MolWeight> (2,473)
308.30648

>  <Item Name> (2,473)
Sulisobenzone

>  <Catalog Number> (2,473)
S4652

>  <Synonyms> (2,473)
Benzophenone-4, Sungard

>  <Target> (2,473)
Others

>  <Form> (2,473)
Free Base

>  <URL> (2,473)
http://www.selleckchem.com/products/sulisobenzone.html

>  <CAS Number> (2,473)
4065-45-6

$$$$
S4647 Cefmenoxime hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,474)
2878

>  <Formula> (2,474)
C32H35ClN18O10S6

>  <MolWeight> (2,474)
1059.5779

>  <Item Name> (2,474)
Cefmenoxime hydrochloride

>  <Catalog Number> (2,474)
S4647

>  <Synonyms> (2,474)
Cefmenoxime hemihydrochloride, SCE-1365 hemihydrochloride

>  <Target> (2,474)
Antifection

>  <Form> (2,474)
hydrochloride

>  <URL> (2,474)
http://www.selleckchem.com/products/cefmenoxime-hydrochloride.html

>  <CAS Number> (2,474)
75738-58-8

$$$$
S4588 Docusate (Sodium).cdx
csChFnd80/07171813082D

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 18 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
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,475)
2879

>  <Formula> (2,475)
C20H37NaO7S

>  <MolWeight> (2,475)
444.55835

>  <Item Name> (2,475)
Docusate Sodium

>  <Catalog Number> (2,475)
S4588

>  <Synonyms> (2,475)
Aerosol OT, Bis(2-ethylhexyl) sulfosuccinate sodium salt, Constonate

>  <Target> (2,475)
Opioid Receptor

>  <Form> (2,475)
sodium salt

>  <URL> (2,475)
http://www.selleckchem.com/products/docusate-sodium.html

>  <CAS Number> (2,475)
577-11-7

$$$$
FOMEPIZOLE (fomepizole).cdx
csChFnd80/07171813082D

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.8780    2.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6898    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    0.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761    2.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1990    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
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,476)
2880

>  <Formula> (2,476)
C4H6N2

>  <MolWeight> (2,476)
82.10384

>  <Item Name> (2,476)
Fomepizole (Antizol)

>  <Catalog Number> (2,476)
S1717

>  <Synonyms> (2,476)
4-methylpyrazole, Antizol, Antizol-Vet

>  <Target> (2,476)
5-alpha Reductase

>  <Form> (2,476)
Free Base

>  <URL> (2,476)
http://www.selleckchem.com/products/Fomepizole(Antizol).html

>  <CAS Number> (2,476)
7554-65-6

$$$$
S4657 Eslicarbazepine Acetate.cdx
csChFnd80/07171813082D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.9398    2.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6888    2.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447    4.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9339    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2278    5.2265    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1872    2.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5165    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5938    5.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399    6.4971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413    6.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    0.0555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6580    7.8845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1300    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6885    1.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0003    4.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    1.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8624    4.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286    5.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3441    2.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5459    2.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8753    3.5542    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
  6  1  1  0  0  0  0
  3  2  2  0  0  0  0
 14  2  1  0  0  0  0
  5  3  1  0  0  0  0
 15  3  1  0  0  0  0
 11  4  2  0  0  0  0
 13  4  1  0  0  0  0
  5  9  1  1  0  0  0
  8  5  1  0  0  0  0
  7  6  2  0  0  0  0
 16  6  1  0  0  0  0
  8  7  1  0  0  0  0
 17  7  1  0  0  0  0
 10  9  1  0  0  0  0
 12 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 14  2  0  0  0  0
 20 15  2  0  0  0  0
 21 16  2  0  0  0  0
 17 22  2  0  0  0  0
 20 19  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,477)
2881

>  <Formula> (2,477)
C17H16N2O3

>  <MolWeight> (2,477)
296.32054

>  <Item Name> (2,477)
Eslicarbazepine Acetate

>  <Catalog Number> (2,477)
S4657

>  <Synonyms> (2,477)
BIA 2093, Zebinix, Exalief, Stedesa, Aptiom

>  <Target> (2,477)
Others

>  <Form> (2,477)
Free Base

>  <URL> (2,477)
http://www.selleckchem.com/products/eslicarbazepine-acetate.html

>  <CAS Number> (2,477)
236395-14-5

$$$$
S4649 Atipamezole hydrochloride.cdx
csChFnd80/07171813082D

 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
    7.0785    3.8468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    4.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7686    2.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4579    3.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4579    4.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5046    1.6348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0945    2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1282    1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8825    4.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617    5.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2289    2.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0463    5.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5918    0.0000    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  1  0  0  0  0
 11  1  1  0  0  0  0
  3  2  1  0  0  0  0
 10  2  2  0  0  0  0
  9  3  2  0  0  0  0
  7  4  1  0  0  0  0
  6  5  1  0  0  0  0
 13  6  1  0  0  0  0
  7  6  2  0  0  0  0
 12  7  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,478)
2883

>  <Formula> (2,478)
C14H17ClN2

>  <MolWeight> (2,478)
248.75118

>  <Item Name> (2,478)
Atipamezole hydrochloride

>  <Catalog Number> (2,478)
S4649

>  <Synonyms> (2,478)
Antisedan, MPV-1248 hydrochloride, MPV1248 hydrochloride, MPV 1248 hydrochloride

>  <Target> (2,478)
Adrenergic Receptor

>  <Form> (2,478)
hydrochloride

>  <URL> (2,478)
http://www.selleckchem.com/products/atipamezole-hydrochloride.html

>  <CAS Number> (2,478)
104075-48-1

$$$$
S4624 Methylbenactyzine Bromide.cdx
csChFnd80/07171813082D

 26 26  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5373    2.4249    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
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    1.2124    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.5373    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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  1  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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  4 10  1  0  0  0  0
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  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
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 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 17  2  0  0  0  0
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 19 20  1  0  0  0  0
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 20 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> (2,479)
2886

>  <Formula> (2,479)
C21H28BrNO3

>  <MolWeight> (2,479)
422.35592

>  <Item Name> (2,479)
Methylbenactyzine Bromide

>  <Catalog Number> (2,479)
S4623

>  <Synonyms> (2,479)
Gastrimade, Noinarin, Paragone, Semulgin

>  <Target> (2,479)
AChR

>  <Form> (2,479)
bromide 

>  <URL> (2,479)
http://selleckchem.com/products/methylbenactyzine-bromide.html

>  <CAS Number> (2,479)
3166-62-9

$$$$
S4641 Tedizolid Phosphate.cdx
csChFnd80/07171813082D

 31 34  0  0  0  0  0  0  0  0999 V2000
   15.2414    3.4663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9099    3.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0871    2.7663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9100    1.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2414    2.0663    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4773    5.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3740    1.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6530    1.8128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6871    2.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9871    1.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,480)
2888

>  <Formula> (2,480)
C17H16FN6O6P

>  <MolWeight> (2,480)
450.3177042

>  <Item Name> (2,480)
Tedizolid Phosphate

>  <Catalog Number> (2,480)
S4641

>  <Synonyms> (2,480)
TR-701FA

>  <Target> (2,480)
Antifection

>  <Form> (2,480)
Free Base

>  <URL> (2,480)
http://www.selleckchem.com/products/tedizolid-phosphate.html

>  <CAS Number> (2,480)
856867-55-5

$$$$
S4634 SULFADIAZINE SODIUM.cdx
csChFnd80/07171813082D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    4.1573    3.9832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,481)
2889

>  <Formula> (2,481)
C10H9N4NaO2S

>  <MolWeight> (2,481)
272.25883

>  <Item Name> (2,481)
Sodium sulfadiazine

>  <Catalog Number> (2,481)
S4634

>  <Synonyms> (2,481)
Sulfadiazin-natrium

>  <Target> (2,481)
Antifection

>  <Form> (2,481)
Sodium salt

>  <URL> (2,481)
http://www.selleckchem.com/products/sodium-sulfadiazine.html

>  <CAS Number> (2,481)
547-32-0

$$$$
S4606 Glutathione.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,482)
2891

>  <Formula> (2,482)
C10H17N3O6S

>  <MolWeight> (2,482)
307.32348

>  <Item Name> (2,482)
Glutathione

>  <Catalog Number> (2,482)
S4606

>  <Synonyms> (2,482)
Isethion, Glutathion, Tathion

>  <Target> (2,482)
Others

>  <Form> (2,482)
Free Base

>  <URL> (2,482)
http://www.selleckchem.com/products/glutathione.html

>  <CAS Number> (2,482)
70-18-8

$$$$
S4602 Acetohydroxamic acid.cdx
csChFnd80/07171813082D

  5  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
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (2,483)
2892

>  <Formula> (2,483)
C2H5NO2

>  <MolWeight> (2,483)
75.0666

>  <Item Name> (2,483)
Acetohydroxamic acid

>  <Catalog Number> (2,483)
S4602

>  <Synonyms> (2,483)
N-Hydroxyacetamide, Methylhydroxamic acid, Acetic acid|oxime, Lithostat

>  <Target> (2,483)
Antifection

>  <Form> (2,483)
Free Base

>  <URL> (2,483)
http://www.selleckchem.com/products/acetohydroxamic-acid.html

>  <CAS Number> (2,483)
546-88-3

$$$$
Triclosan.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,484)
2893

>  <Formula> (2,484)
C12H7Cl3O2

>  <MolWeight> (2,484)
289.54178

>  <Item Name> (2,484)
Triclosan

>  <Catalog Number> (2,484)
S4541

>  <Synonyms> (2,484)
Irgasan, Cloxifenolum

>  <Target> (2,484)
Antifection

>  <Form> (2,484)
Free Base

>  <URL> (2,484)
http://www.selleckchem.com/products/triclosan.html

>  <CAS Number> (2,484)
3380-34-5

$$$$
IMR-1.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,485)
2894

>  <Formula> (2,485)
C15H15NO5S2

>  <MolWeight> (2,485)
353.4133

>  <Item Name> (2,485)
IMR-1

>  <Catalog Number> (2,485)
S8280

>  <Synonyms> (2,485)
N/A

>  <Target> (2,485)
Gamma-secretase

>  <Form> (2,485)
Free Base

>  <URL> (2,485)
http://www.selleckchem.com/products/imr-1.html

>  <CAS Number> (2,485)
310456-65-6

$$$$
IQ-1.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,486)
2895

>  <Formula> (2,486)
C21H22N4O2

>  <MolWeight> (2,486)
362.42498

>  <Item Name> (2,486)
IQ-1

>  <Catalog Number> (2,486)
S8248

>  <Synonyms> (2,486)
N/A

>  <Target> (2,486)
Wnt/beta-catenin

>  <Form> (2,486)
Free Base

>  <URL> (2,486)
http://www.selleckchem.com/products/iq-1.html

>  <CAS Number> (2,486)
331001-62-8

$$$$
5-Iodotubercidin.cdx
csChFnd80/07171813082D

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M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (2,487)
2896

>  <Formula> (2,487)
C11H13IN4O4

>  <MolWeight> (2,487)
392.14979

>  <Item Name> (2,487)
5-Iodotubercidin

>  <Catalog Number> (2,487)
S8314

>  <Synonyms> (2,487)
NSC 113939, 5-ITu

>  <Target> (2,487)
Adenosine Receptor

>  <Form> (2,487)
Free Base

>  <URL> (2,487)
http://www.selleckchem.com/products/5-iodotubercidin.html

>  <CAS Number> (2,487)
24386-93-4

$$$$
RS-1.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,488)
2897

>  <Formula> (2,488)
C20H16Br2N2O3S

>  <MolWeight> (2,488)
524.22564

>  <Item Name> (2,488)
RS-1

>  <Catalog Number> (2,488)
S8234

>  <Synonyms> (2,488)
N/A

>  <Target> (2,488)
Others

>  <Form> (2,488)
Free Base

>  <URL> (2,488)
http://www.selleckchem.com/products/rs-1.html

>  <CAS Number> (2,488)
312756-74-4

$$$$
S4562 Dehydrocholic acid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,489)
2898

>  <Formula> (2,489)
C24H34O5

>  <MolWeight> (2,489)
402.52376

>  <Item Name> (2,489)
Dehydrocholic acid

>  <Catalog Number> (2,489)
S4562

>  <Synonyms> (2,489)
Decholin, Dehystolin, Felacrinos, Sanocholen

>  <Target> (2,489)
Others

>  <Form> (2,489)
Free Base

>  <URL> (2,489)
http://www.selleckchem.com/products/dehydrocholic-acid.html

>  <CAS Number> (2,489)
81-23-2

$$$$
S4550 Azelaic acid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,490)
2899

>  <Formula> (2,490)
C9H16O4

>  <MolWeight> (2,490)
188.22094

>  <Item Name> (2,490)
Azelaic acid

>  <Catalog Number> (2,490)
S4550

>  <Synonyms> (2,490)
Nonanedioic acid, Finacea, Azelex, Anchoic acid

>  <Target> (2,490)
Antifection

>  <Form> (2,490)
Free Base

>  <URL> (2,490)
http://www.selleckchem.com/products/azelaic-acid.html

>  <CAS Number> (2,490)
123-99-9

$$$$
S4607 2,2¡ä-Dihydroxy-4-methoxybenzophenone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,491)
2900

>  <Formula> (2,491)
C14H12O4

>  <MolWeight> (2,491)
244.24268

>  <Item Name> (2,491)
2,2¡ä-Dihydroxy-4-methoxybenzophenone

>  <Catalog Number> (2,491)
S4607

>  <Synonyms> (2,491)
Dioxybenzone, Dioxybenzon, Advastab 47, Cyasorb UV 24, Benzophenone-8

>  <Target> (2,491)
Others

>  <Form> (2,491)
Free Base

>  <URL> (2,491)
http://www.selleckchem.com/products/2-2-dihydroxy-4-methoxybenzophenone.html

>  <CAS Number> (2,491)
131-53-3

$$$$
S4679 Terazosin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,492)
2901

>  <Formula> (2,492)
C19H26ClN5O4

>  <MolWeight> (2,492)
423.89384

>  <Item Name> (2,492)
Terazosin HCl 

>  <Catalog Number> (2,492)
S4679

>  <Synonyms> (2,492)
Terazosin, Hytrin, Zayasel, Terazosine, Flumarc, Fosfomic, Blavin

>  <Target> (2,492)
Adrenergic Receptor

>  <Form> (2,492)
hydrochloride

>  <URL> (2,492)
http://www.selleckchem.com/products/terazosin.html

>  <CAS Number> (2,492)
63074-08-8

$$$$
S4674 Hydroxyprogesterone caproate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,493)
2904

>  <Formula> (2,493)
C27H40O4

>  <MolWeight> (2,493)
428.6041

>  <Item Name> (2,493)
Hydroxyprogesterone caproate

>  <Catalog Number> (2,493)
S4674

>  <Synonyms> (2,493)
17¦Á-Hydroxyprogesterone hexanoate, 17¦Á-Hydroxyprogesterone caproate

>  <Target> (2,493)
Estrogen/progestogen Receptor

>  <Form> (2,493)
Free Base

>  <URL> (2,493)
http://www.selleckchem.com/products/hydroxyprogesterone-caproate.html

>  <CAS Number> (2,493)
630-56-8

$$$$
S4684 Sildenafil.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,494)
2905

>  <Formula> (2,494)
C22H30N6O4S

>  <MolWeight> (2,494)
474.5764

>  <Item Name> (2,494)
Sildenafil

>  <Catalog Number> (2,494)
S4684

>  <Synonyms> (2,494)
Revatio, UK-92480, Viagra

>  <Target> (2,494)
PDE

>  <Form> (2,494)
Free Base

>  <URL> (2,494)
http://www.selleckchem.com/products/sildenafil.html

>  <CAS Number> (2,494)
139755-83-2

$$$$
S4683 Sildenafil Mesylate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,495)
2906

>  <Formula> (2,495)
C23H34N6O7S2

>  <MolWeight> (2,495)
570.68206

>  <Item Name> (2,495)
Sildenafil Mesylate

>  <Catalog Number> (2,495)
S4683

>  <Synonyms> (2,495)
N/A

>  <Target> (2,495)
PDE

>  <Form> (2,495)
Mesylate

>  <URL> (2,495)
http://www.selleckchem.com/products/sildenafil-mesylate.html

>  <CAS Number> (2,495)
1308285-21-3

$$$$
S4694 Alosetron Hydrochloride.cdx
csChFnd80/07171813082D

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    6.5169    3.7105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3183    5.8194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7433    4.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1680    3.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2434    4.2526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9705    3.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0963    2.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4680    1.9955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0491    1.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3233    0.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9163    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
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  6  7  1  0  0  0  0
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  1  9  1  0  0  0  0
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  3 10  1  0  0  0  0
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  1 22  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,496)
2907

>  <Formula> (2,496)
C17H19ClN4O

>  <MolWeight> (2,496)
330.81196

>  <Item Name> (2,496)
Alosetron Hydrochloride

>  <Catalog Number> (2,496)
S4694

>  <Synonyms> (2,496)
GR 68755C, GR 68755, GR 68755X, Lotronex, GR-68755, GR68755

>  <Target> (2,496)
5-HT Receptor

>  <Form> (2,496)
hydrochloride

>  <URL> (2,496)
http://www.selleckchem.com/products/alosetron-hydrochloride.html

>  <CAS Number> (2,496)
122852-69-1

$$$$
S4693 Guanfacine Hydrochloride.cdx
csChFnd80/07171813082D

 16 15  0  0  0  0  0  0  0  0999 V2000
    2.4233    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6357    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6357    0.0019    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.2055    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    2.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    0.7034    0.0000 O   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
    7.2731    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4855    2.8033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    0.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1430    0.5369    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
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  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> (2,497)
2908

>  <Formula> (2,497)
C9H10Cl3N3O

>  <MolWeight> (2,497)
282.5542

>  <Item Name> (2,497)
Guanfacine Hydrochloride

>  <Catalog Number> (2,497)
S4693

>  <Synonyms> (2,497)
Guanfacine Hydrochloride, Guanfacine, Tenex, Intuniv

>  <Target> (2,497)
5-HT Receptor

>  <Form> (2,497)
hydrochloride

>  <URL> (2,497)
http://www.selleckchem.com/products/guanfacine-hydrochloride.html

>  <CAS Number> (2,497)
29110-48-3

$$$$
S4691 Oxybenzone.cdx
csChFnd80/07171813082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8805    3.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    4.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    4.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8851    2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    3.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    5.5685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3146    3.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    5.5802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1030    1.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    2.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3299    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213    1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5423    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
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
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M  END
>  <Mol_ID> (2,498)
2909

>  <Formula> (2,498)
C14H12O3

>  <MolWeight> (2,498)
228.24328

>  <Item Name> (2,498)
Oxybenzone

>  <Catalog Number> (2,498)
S4691

>  <Synonyms> (2,498)
Oxybenzone, Eusolex 4360, Escalol 567, KAHSCREEN BZ-3, Benzophenone 3

>  <Target> (2,498)
Others

>  <Form> (2,498)
Free Base

>  <URL> (2,498)
http://www.selleckchem.com/products/oxybenzone.html

>  <CAS Number> (2,498)
131-57-7

$$$$
S4666 Sivelestat sodium.cdx
csChFnd80/07171813082D

 35 31  0  0  0  0  0  0  0  0999 V2000
   15.2799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9799    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9799    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1799    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1799    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3799    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2799    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   18.0799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3799    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7799    2.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7799    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6799    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1799    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1799    3.6373    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2799    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1799    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4740    3.5762    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.3823    1.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3823    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5833   28.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   28.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   18.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   18.5241    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  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  1  0  0  0  0
  9 11  2  0  0  0  0
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 12 16  1  0  0  0  0
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 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,499)
2910

>  <Formula> (2,499)
C20H29N2NaO11S

>  <MolWeight> (2,499)
528.50583

>  <Item Name> (2,499)
Sivelestat sodium tetrahydrate

>  <Catalog Number> (2,499)
S4666

>  <Synonyms> (2,499)
Sivelestat sodium, ONO5046-Na, Sodium sivelestat, EI546 sodium, LY544349 sodium

>  <Target> (2,499)
Serine Protease

>  <Form> (2,499)
Sodium salt tetrahydrate

>  <URL> (2,499)
http://www.selleckchem.com/products/sivelestat-sodium.html

>  <CAS Number> (2,499)
201677-61-4

$$$$
S4664 Molsidomine.cdx
csChFnd80/07171813082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.2567    1.9958    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.5789    2.4561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1291    2.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375    0.6270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8477    3.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6312    1.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0096    1.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4387    0.6205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1713    4.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9537    1.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6737    2.3475    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   12.2258    3.3696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6922    1.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3369    1.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0659    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3553    0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0527    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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  5  9  1  0  0  0  0
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M  END
>  <Mol_ID> (2,500)
2911

>  <Formula> (2,500)
C9H14N4O4

>  <MolWeight> (2,500)
242.23186

>  <Item Name> (2,500)
Molsidomine

>  <Catalog Number> (2,500)
S4664

>  <Synonyms> (2,500)
SIN-10, Corvaton, Morsydomine

>  <Target> (2,500)
Others

>  <Form> (2,500)
inner salt

>  <URL> (2,500)
http://www.selleckchem.com/products/molsidomine.html

>  <CAS Number> (2,500)
25717-80-0

$$$$
S4660 Glycopyrrolate.cdx
csChFnd80/07171813082D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.4438    3.7042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6562    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1438    2.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2313    3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9135    3.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5437    2.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
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  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
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 20 23  1  0  0  0  0
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M  END
>  <Mol_ID> (2,501)
2913

>  <Formula> (2,501)
C19H28BrNO3

>  <MolWeight> (2,501)
398.33452

>  <Item Name> (2,501)
Glycopyrrolate

>  <Catalog Number> (2,501)
S4660

>  <Synonyms> (2,501)
Glycopyrrolate bromide, Glycopyrronium bromide, Robinul, Gastrodyn

>  <Target> (2,501)
AChR

>  <Form> (2,501)
bromide

>  <URL> (2,501)
http://www.selleckchem.com/products/glycopyrrolate.html

>  <CAS Number> (2,501)
596-51-0

$$$$
S4659 Nandrolone.cdx
csChFnd80/07171813082D

 24 27  0  0  0  0  0  0  0  0999 V2000
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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 23  1  6  0  0  0
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  7 12  1  0  0  0  0
  8 14  1  1  0  0  0
  8 10  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 24  1  1  0  0  0
 13 15  1  0  0  0  0
 15 17  2  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
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,502)
2914

>  <Formula> (2,502)
C18H26O2

>  <MolWeight> (2,502)
274.39784

>  <Item Name> (2,502)
Nandrolone

>  <Catalog Number> (2,502)
S4659

>  <Synonyms> (2,502)
Nandrolone, 19-Norandrostenolone, Norandrostenolone, Menidrabol, Nandrolon, Oestrenolon

>  <Target> (2,502)
Others

>  <Form> (2,502)
Free Base

>  <URL> (2,502)
http://www.selleckchem.com/products/nandrolone.html

>  <CAS Number> (2,502)
434-22-0

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/07171813082D

 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
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    3.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
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 10 26  1  6  0  0  0
M  END
>  <Mol_ID> (2,503)
2915

>  <Formula> (2,503)
C20H26N2O2

>  <MolWeight> (2,503)
326.43264

>  <Item Name> (2,503)
Hydroquinidine

>  <Catalog Number> (2,503)
S4658

>  <Synonyms> (2,503)
Dihydroquinidine, Hydroconchinine, Hydroconquinine, Dihydroquinine

>  <Target> (2,503)
Others

>  <Form> (2,503)
Free Base

>  <URL> (2,503)
http://www.selleckchem.com/products/hydroquinidine.html

>  <CAS Number> (2,503)
1435-55-8

$$$$
S4655 Sulpiride.cdx
csChFnd80/07171813082D

 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
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  3  7  2  0  0  0  0
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M  END
>  <Mol_ID> (2,504)
2916

>  <Formula> (2,504)
C15H23N3O4S

>  <MolWeight> (2,504)
341.42582

>  <Item Name> (2,504)
Sulpiride

>  <Catalog Number> (2,504)
S4655

>  <Synonyms> (2,504)
Dolmatil, Dobren, Sulpyrid, Aiglonyl, Dogmatil

>  <Target> (2,504)
Dopamine Receptor

>  <Form> (2,504)
Free Base

>  <URL> (2,504)
http://www.selleckchem.com/products/sulpiride.html

>  <CAS Number> (2,504)
15676-16-1

$$$$
S4654 Netupitant.cdx
csChFnd80/07171813082D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,505)
2917

>  <Formula> (2,505)
C30H32F6N4O

>  <MolWeight> (2,505)
578.5916992

>  <Item Name> (2,505)
Netupitant

>  <Catalog Number> (2,505)
S4654

>  <Synonyms> (2,505)
CID6451149, CID 6451149, CID-6451149

>  <Target> (2,505)
Substance P

>  <Form> (2,505)
Free Base

>  <URL> (2,505)
http://www.selleckchem.com/products/netupitant.html

>  <CAS Number> (2,505)
290297-26-6

$$$$
S4651 Etoricoxib.cdx
csChFnd80/07171813082D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 19  7  2  0  0  0  0
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M  END
>  <Mol_ID> (2,506)
2918

>  <Formula> (2,506)
C18H15ClN2O2S

>  <MolWeight> (2,506)
358.8419

>  <Item Name> (2,506)
Etoricoxib

>  <Catalog Number> (2,506)
S4651

>  <Synonyms> (2,506)
Arcoxia, MK-663, MK-0663, Tauxib, Algix, Nucoxia

>  <Target> (2,506)
COX

>  <Form> (2,506)
Free  Base

>  <URL> (2,506)
http://www.selleckchem.com/products/etoricoxib.html

>  <CAS Number> (2,506)
202409-33-4

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,507)
2919

>  <Formula> (2,507)
C20H26N2O2

>  <MolWeight> (2,507)
326.43264

>  <Item Name> (2,507)
Dantrolene sodium hemiheptahydrate

>  <Catalog Number> (2,507)
S4648

>  <Synonyms> (2,507)
Dantrolene sodium salt, Dantrium, Sodium dantrolene

>  <Target> (2,507)
Calcium Channel

>  <Form> (2,507)
Sodium salt hemiheptahydrate

>  <URL> (2,507)
http://www.selleckchem.com/products/dantrolene-sodium.html

>  <CAS Number> (2,507)
24868-20-0

$$$$
S4646 Ciclesonide.cdx
csChFnd80/07171813082D

 43 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,508)
2920

>  <Formula> (2,508)
C32H44O7

>  <MolWeight> (2,508)
540.68756

>  <Item Name> (2,508)
Ciclesonide

>  <Catalog Number> (2,508)
S4646

>  <Synonyms> (2,508)
Ciclesonide, Alvesco, Omnaris, RPR251526, Zetonna

>  <Target> (2,508)
Others

>  <Form> (2,508)
Free Base

>  <URL> (2,508)
http://www.selleckchem.com/products/ciclesonide.html

>  <CAS Number> (2,508)
126544-47-6

$$$$
S4637 Prasugrel Hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,509)
2921

>  <Formula> (2,509)
C20H21ClFNO3S

>  <MolWeight> (2,509)
409.9020432

>  <Item Name> (2,509)
Prasugrel Hydrochloride

>  <Catalog Number> (2,509)
S4637

>  <Synonyms> (2,509)
Prasugrel HCl, LY 640315

>  <Target> (2,509)
P2 Receptor

>  <Form> (2,509)
hydrochloride

>  <URL> (2,509)
http://www.selleckchem.com/products/prasugrel-hydrochloride.html

>  <CAS Number> (2,509)
389574-19-0

$$$$
s4515 Ademetionine Ademetionine disulfate tosylate.cdx
csChFnd80/07171813082D

 48 48  0  0  0  0  0  0  0  0999 V2000
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   10.6998    6.7548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.9151    8.5854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.3974    5.5465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3079    8.0847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3809    1.7415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5294    1.6484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0816    1.6484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9295    1.6484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5294    3.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5294    0.2481    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  1  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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 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
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 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 13 25  1  6  0  0  0
 14 26  1  6  0  0  0
  5 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
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 29 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 31 35  2  0  0  0  0
 31 36  2  0  0  0  0
 32 37  1  0  0  0  0
 33 37  2  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  2  0  0  0  0
 39 43  2  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 44 47  2  0  0  0  0
 44 48  2  0  0  0  0
M  END
>  <Mol_ID> (2,510)
2922

>  <Formula> (2,510)
C22H34N6O16S4

>  <MolWeight> (2,510)
766.79596

>  <Item Name> (2,510)
Ademetionine disulfate tosylate 

>  <Catalog Number> (2,510)
S4515

>  <Synonyms> (2,510)
N/A

>  <Target> (2,510)
Others

>  <Form> (2,510)
Disulfate tosylate

>  <URL> (2,510)
http://www.selleckchem.com/products/ademetionine-disulfate-tosylate.html

>  <CAS Number> (2,510)
97540-22-2

$$$$
S4695 D panthenol.cdx
csChFnd80/07171813082D

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.3124    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8876    0.7000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
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 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (2,511)
2923

>  <Formula> (2,511)
C9H19NO4

>  <MolWeight> (2,511)
205.25146

>  <Item Name> (2,511)
D panthenol

>  <Catalog Number> (2,511)
S4695

>  <Synonyms> (2,511)
Dexpanthenol, D-Panthenol, Pantothenol, Ilopan, D-Pantothenyl alcohol

>  <Target> (2,511)
Vitamin

>  <Form> (2,511)
Free Base

>  <URL> (2,511)
http://www.selleckchem.com/products/d-panthenol.html

>  <CAS Number> (2,511)
81-13-0

$$$$
S4682 Loxoprofen.cdx
csChFnd80/07171813082D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.3010    2.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7010    2.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6020    3.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4020    3.6322    0.0000 C   0  0  3  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  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
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M  END
>  <Mol_ID> (2,512)
2924

>  <Formula> (2,512)
C15H18O3

>  <MolWeight> (2,512)
246.30162

>  <Item Name> (2,512)
Loxoprofen

>  <Catalog Number> (2,512)
S4682

>  <Synonyms> (2,512)
Koloxo, Loxoprofene, Loxoprofeno

>  <Target> (2,512)
COX

>  <Form> (2,512)
Free Base

>  <URL> (2,512)
http://www.selleckchem.com/products/loxoprofen.html

>  <CAS Number> (2,512)
68767-14-6

$$$$
S4680 Protirelin.cdx
csChFnd80/07171813082D

 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
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    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
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  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
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 18 15  1  6  0  0  0
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 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
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 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> (2,513)
2926

>  <Formula> (2,513)
C16H22N6O4

>  <MolWeight> (2,513)
362.38368

>  <Item Name> (2,513)
Protirelin

>  <Catalog Number> (2,513)
S4680

>  <Synonyms> (2,513)
Thyroliberin, Lopremone, Synthetic TRH, Thyrotropin-releasing hormone, Rifathyroin

>  <Target> (2,513)
Others

>  <Form> (2,513)
Free Base

>  <URL> (2,513)
http://www.selleckchem.com/products/protirelin.html

>  <CAS Number> (2,513)
24305-27-9

$$$$
S4665 Rebeprazole sodium.cdx
csChFnd80/07171813082D

 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
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   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
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   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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  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> (2,514)
2927

>  <Formula> (2,514)
C18H20N3NaO3S

>  <MolWeight> (2,514)
381.42447

>  <Item Name> (2,514)
Rebeprazole sodium

>  <Catalog Number> (2,514)
S4665

>  <Synonyms> (2,514)
Aciphex Sodium, Dexrabeprazole Sodium, Habeprazole Sodium

>  <Target> (2,514)
Proton Pump

>  <Form> (2,514)
sodium salt

>  <URL> (2,514)
http://www.selleckchem.com/products/rebeprazole-sodium.html

>  <CAS Number> (2,514)
117976-90-6

$$$$
S4663 Fusidate Sodium.cdx
csChFnd80/07171813082D

 41 43  0  0  0  0  0  0  0  0999 V2000
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    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
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    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
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  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
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  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> (2,515)
2928

>  <Formula> (2,515)
C31H47NaO6

>  <MolWeight> (2,515)
538.69105

>  <Item Name> (2,515)
Fusidate Sodium

>  <Catalog Number> (2,515)
S4663

>  <Synonyms> (2,515)
Fucidin, Sodium fusidate, SQ-16360

>  <Target> (2,515)
Antifection

>  <Form> (2,515)
sodium salt

>  <URL> (2,515)
http://www.selleckchem.com/products/fusidate-sodium.html

>  <CAS Number> (2,515)
751-94-0

$$$$
S4601 5-Chloro-8-hydroxy-7-iodoquinoline.cdx
csChFnd80/07171813082D

 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> (2,516)
2929

>  <Formula> (2,516)
C9H5ClINO

>  <MolWeight> (2,516)
305.49957

>  <Item Name> (2,516)
Clioquinol

>  <Catalog Number> (2,516)
S4601

>  <Synonyms> (2,516)
Clioquinol, Iodochlorhydroxyquin, Chinoform

>  <Target> (2,516)
Antifection

>  <Form> (2,516)
Free Base

>  <URL> (2,516)
http://www.selleckchem.com/products/5-chloro-8-hydroxy-7-iodoquinoline.html

>  <CAS Number> (2,516)
130-26-7

$$$$
S4685 Efavirenz.cdx
csChFnd80/07171813082D

 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
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    5.7496    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0499    2.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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  3  1  1  0  0  0  0
  9  2  3  0  0  0  0
  8  3  2  0  0  0  0
 11  3  1  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  0  0  0  0
 14  4  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
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  8  7  1  0  0  0  0
 15  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 16 11  2  0  0  0  0
 12 13  1  0  0  0  0
 15 17  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,517)
2930

>  <Formula> (2,517)
C14H9ClF3NO2

>  <MolWeight> (2,517)
315.6749696

>  <Item Name> (2,517)
Efavirenz

>  <Catalog Number> (2,517)
S4685

>  <Synonyms> (2,517)
Sustiva, Stocrin, DMP-266, DMP 266

>  <Target> (2,517)
Reverse Transcriptase

>  <Form> (2,517)
Free Base

>  <URL> (2,517)
http://www.selleckchem.com/products/efavirenz.html

>  <CAS Number> (2,517)
154598-52-4

$$$$
TRx0237 (LMTX).cdx
csChFnd80/07171813082D

 30 30  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.4100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.2100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.4100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  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
  2 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
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 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,518)
2931

>  <Formula> (2,518)
C18H27N3O6S3

>  <MolWeight> (2,518)
477.61848

>  <Item Name> (2,518)
TRx0237 (LMTX) mesylate

>  <Catalog Number> (2,518)
S7762

>  <Synonyms> (2,518)
N/A

>  <Target> (2,518)
Microtubule Associated

>  <Form> (2,518)
Dimesylate

>  <URL> (2,518)
http://www.selleckchem.com/products/trx0237-lmtx.html

>  <CAS Number> (2,518)
1236208-20-0

$$$$
S4696 ArbinoxaMine Maleate.cdx
csChFnd80/07171813082D

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.4858    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,519)
2932

>  <Formula> (2,519)
C20H23ClN2O5

>  <MolWeight> (2,519)
406.86002

>  <Item Name> (2,519)
arbinoxaMine Maleate

>  <Catalog Number> (2,519)
S4696

>  <Synonyms> (2,519)
N/A

>  <Target> (2,519)
Histamine Receptor

>  <Form> (2,519)
maleate

>  <URL> (2,519)
http://www.selleckchem.com/products/arbinoxamine-maleate.html

>  <CAS Number> (2,519)
3505-38-2

$$$$
S4669 Benzocaine hydrochloride.cdx
csChFnd80/07171813082D

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    1.2124    2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,520)
2934

>  <Formula> (2,520)
C9H12ClNO2

>  <MolWeight> (2,520)
201.65008

>  <Item Name> (2,520)
Benzocaine hydrochloride

>  <Catalog Number> (2,520)
S4669

>  <Synonyms> (2,520)
Ethyl 4-aminobenzoate hydrochloride, Benzocaine HCl, Ethyl p-aminobenzoate hydrochloride

>  <Target> (2,520)
Sodium Channel

>  <Form> (2,520)
hydrochloride

>  <URL> (2,520)
http://www.selleckchem.com/products/benzocaine-hydrochloride.html

>  <CAS Number> (2,520)
23239-88-5

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/07171813082D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,521)
2936

>  <Formula> (2,521)
C14H23ClN2O

>  <MolWeight> (2,521)
270.79822

>  <Item Name> (2,521)
Lidocaine hydrochloride

>  <Catalog Number> (2,521)
S4667

>  <Synonyms> (2,521)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (2,521)
Others

>  <Form> (2,521)
hydrochloride

>  <URL> (2,521)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

>  <CAS Number> (2,521)
73-78-9

$$$$
XENAZINE (tetrabenazine).cdx
csChFnd80/07171813082D

 23 25  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
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  2 16  1  0  0  0  0
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 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,522)
2937

>  <Formula> (2,522)
C19H27NO3

>  <MolWeight> (2,522)
317.42258

>  <Item Name> (2,522)
Tetrabenazine (Nitoman, Xenazine)

>  <Catalog Number> (2,522)
S1789

>  <Synonyms> (2,522)
N/A

>  <Target> (2,522)
5-alpha Reductase

>  <Form> (2,522)
Free Base

>  <URL> (2,522)
http://www.selleckchem.com/products/Tetrabenazine(Nitoman).html

>  <CAS Number> (2,522)
58-46-8

$$$$
S4690 Vitamin E.cdx
csChFnd80/07171813082D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6403    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4230    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0658    2.1073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  7 31  1  1  0  0  0
M  END
>  <Mol_ID> (2,523)
2938

>  <Formula> (2,523)
C29H50O2

>  <MolWeight> (2,523)
430.7061

>  <Item Name> (2,523)
Vitamin E

>  <Catalog Number> (2,523)
S4686

>  <Synonyms> (2,523)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (2,523)
COX,VEGFR

>  <Form> (2,523)
Free Base

>  <URL> (2,523)
http://www.selleckchem.com/products/vitamin-e.html

>  <CAS Number> (2,523)
59-02-9

$$$$
S4689 Deoxycholic acid.cdx
csChFnd80/07171813082D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0623    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6060    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (2,524)
2939

>  <Formula> (2,524)
C24H40O4

>  <MolWeight> (2,524)
392.572

>  <Item Name> (2,524)
Deoxycholic acid

>  <Catalog Number> (2,524)
S4689

>  <Synonyms> (2,524)
Deoxycholate, Desoxycholic acid, Cholerebic, Cholorebic

>  <Target> (2,524)
Others

>  <Form> (2,524)
Free Base

>  <URL> (2,524)
http://www.selleckchem.com/products/deoxycholic-acid.html

>  <CAS Number> (2,524)
83-44-3

$$$$
Z-IETD-FMK.cdx
csChFnd80/07171813082D

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   10.9913    9.3499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7924    7.2199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0857    9.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7924   11.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3398   11.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1991    8.6492    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0857   10.8530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9913   10.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.1354    6.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 34  1  6  0  0  0
 27 35  1  0  0  0  0
 29 36  2  0  0  0  0
 37 31  1  6  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  2  0  0  0  0
 40 43  1  0  0  0  0
 40 44  2  0  0  0  0
 41 45  1  0  0  0  0
 43 46  1  0  0  0  0
 30 36  1  0  0  0  0
 52 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
 52 50  1  0  0  0  0
 52 51  1  0  0  0  0
 52 53  1  0  0  0  0
M  END
>  <Mol_ID> (2,525)
2940

>  <Formula> (2,525)
C32H44F4N4O13

>  <MolWeight> (2,525)
768.7043728

>  <Item Name> (2,525)
Z-IETD-FMK

>  <Catalog Number> (2,525)
S7314

>  <Synonyms> (2,525)
Caspase-8 Inhibitor

>  <Target> (2,525)
Caspase

>  <Form> (2,525)
trifluoroacetat

>  <URL> (2,525)
http://www.selleckchem.com/products/z-ietd-fmk.html

>  <CAS Number> (2,525)
210344-98-2

$$$$
S4697 Saxagliptin hydrate.cdx
csChFnd80/07171813082D

 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
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 10  6  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 18 20  1  0  0  0  0
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  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,526)
2941

>  <Formula> (2,526)
C18H27N3O3

>  <MolWeight> (2,526)
333.42528

>  <Item Name> (2,526)
Saxagliptin hydrate 

>  <Catalog Number> (2,526)
S4697

>  <Synonyms> (2,526)
BMS-477118 hydrate, Onglyza hydrate, BMS 477118 hydrate, BMS477118 hydrate

>  <Target> (2,526)
DPP-4

>  <Form> (2,526)
hydrate

>  <URL> (2,526)
http://www.selleckchem.com/products/saxagliptin-hydrate.html

>  <CAS Number> (2,526)
945667-22-1

$$$$
S4636 Teneligliptin hydrobromide.cdx
csChFnd80/07171813082D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 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> (2,527)
2942

>  <Formula> (2,527)
C22H30N6ORS

>  <MolWeight> (2,527)
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>  <Item Name> (2,527)
Teneligliptin hydrobromide

>  <Catalog Number> (2,527)
S4636

>  <Synonyms> (2,527)
Teneligliptin hydrobromide anhydrous

>  <Target> (2,527)
DPP-4

>  <Form> (2,527)
hydrobromide

>  <URL> (2,527)
http://www.selleckchem.com/products/teneligliptin-hydrobromide.html

>  <CAS Number> (2,527)
906093-29-6

$$$$
S4671 Cefradine.cdx
csChFnd80/07171813082D

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>  <Formula> (2,528)
C16H19N3O4S

>  <MolWeight> (2,528)
349.40476

>  <Item Name> (2,528)
Cefradine

>  <Catalog Number> (2,528)
S4671

>  <Synonyms> (2,528)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (2,528)
Antifection

>  <Form> (2,528)
Free Base

>  <URL> (2,528)
http://www.selleckchem.com/products/cefradine.html

>  <CAS Number> (2,528)
38821-53-3

$$$$
CCF642.cdx
csChFnd80/07171813082D

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2944

>  <Formula> (2,529)
C15H10N2O4S3

>  <MolWeight> (2,529)
378.4459

>  <Item Name> (2,529)
CCF642

>  <Catalog Number> (2,529)
S8281

>  <Synonyms> (2,529)
AC1LYELL

>  <Target> (2,529)
Thioredoxin

>  <Form> (2,529)
Free Base

>  <URL> (2,529)
http://www.selleckchem.com/products/ccf642.html

>  <CAS Number> (2,529)
346640-08-2

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/07171813082D

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2945

>  <Formula> (2,530)
C26H27F4N3O7

>  <MolWeight> (2,530)
569.5020928

>  <Item Name> (2,530)
Emricasan (IDN-6556, PF-03491390)

>  <Catalog Number> (2,530)
S7775

>  <Synonyms> (2,530)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (2,530)
Caspase

>  <Form> (2,530)
Free Base

>  <URL> (2,530)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

>  <CAS Number> (2,530)
254750-02-2

$$$$
Atazanavir.cdx
csChFnd80/07171813082D

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  8 10  1  0  0  0  0
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  6 14  1  1  0  0  0
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 14 17  1  0  0  0  0
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 22 23  1  0  0  0  0
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 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
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 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> (2,531)
2946

>  <Formula> (2,531)
C38H52N6O7

>  <MolWeight> (2,531)
704.85548

>  <Item Name> (2,531)
Atazanavir

>  <Catalog Number> (2,531)
S4662

>  <Synonyms> (2,531)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (2,531)
HIV Protease

>  <Form> (2,531)
Free Base

>  <URL> (2,531)
http://www.selleckchem.com/products/atazanavir-reyataz.html

>  <CAS Number> (2,531)
198904-31-3

$$$$
Kanamycin sulfate.cdx
csChFnd80/07171813082D

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    1.2082    7.3451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    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
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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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 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
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 36 37  2  0  0  0  0
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 36 39  1  0  0  0  0
 36 40  1  0  0  0  0
M  END
>  <Mol_ID> (2,532)
2947

>  <Formula> (2,532)
C18H38N4O15S

>  <MolWeight> (2,532)
582.57712

>  <Item Name> (2,532)
Kanamycin sulfate

>  <Catalog Number> (2,532)
S2315

>  <Synonyms> (2,532)
Kanamycin monosulfate

>  <Target> (2,532)
Antifection

>  <Form> (2,532)
sulfate

>  <URL> (2,532)
http://www.selleckchem.com/products/Kanamycin-sulfate(Kantrex).html

>  <CAS Number> (2,532)
25389-94-0

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/07171813082D

 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
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    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
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  5  6  2  0  0  0  0
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  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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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,533)
2948

>  <Formula> (2,533)
C15H10O4

>  <MolWeight> (2,533)
254.2375

>  <Item Name> (2,533)
7,8-Dihydroxyflavone

>  <Catalog Number> (2,533)
S8319

>  <Synonyms> (2,533)
7,8-DHF

>  <Target> (2,533)
Trk receptor

>  <Form> (2,533)
Free Base

>  <URL> (2,533)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

>  <CAS Number> (2,533)
38183-03-8

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/07171813082D

 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
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    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
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  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
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  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> (2,534)
2949

>  <Formula> (2,534)
C26H28N4O4S

>  <MolWeight> (2,534)
492.58992

>  <Item Name> (2,534)
MK-4827(Niraparib) tosylate

>  <Catalog Number> (2,534)
S7625

>  <Synonyms> (2,534)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (2,534)
PARP

>  <Form> (2,534)
4-?methylbenzen

>  <URL> (2,534)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

>  <CAS Number> (2,534)
1038915-73-9

$$$$
Polymyxin B sulphate.cdx
csChFnd80/07171813082D

 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
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Aerosporin, PMB, Poly-RX

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sulfate

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1405-20-5, 4135-11-9 (free base)

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HDAC

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>  <URL> (2,536)
http://www.selleckchem.com/products/itsa-1-itsa1.html

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200626-61-5

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Free Base

>  <URL> (2,537)
http://www.selleckchem.com/products/mlr-1023.html

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41964-07-2

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GTPL8918

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Akt

>  <Form> (2,538)
Free Base

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http://www.selleckchem.com/products/ly3023414.html

>  <CAS Number> (2,538)
1386874-06-1

$$$$
SR-12813.cdx
csChFnd80/07171813082D

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N/A

>  <Target> (2,539)
HMG-CoA Reductase

>  <Form> (2,539)
Free Base

>  <URL> (2,539)
http://www.selleckchem.com/products/sr-12813.html

>  <CAS Number> (2,539)
126411-39-0

$$$$
Fatostatin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,540)
2955

>  <Formula> (2,540)
C18H19BrN2S

>  <MolWeight> (2,540)
375.32586

>  <Item Name> (2,540)
Fatostatin

>  <Catalog Number> (2,540)
S8284

>  <Synonyms> (2,540)
Fatostatin A

>  <Target> (2,540)
Others

>  <Form> (2,540)
hydrobromide

>  <URL> (2,540)
http://www.selleckchem.com/products/fatostatin.html

>  <CAS Number> (2,540)
298197-04-3

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/07171813082D

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2956

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C24H24FN7O

>  <MolWeight> (2,541)
445.4920632

>  <Item Name> (2,541)
Selonsertib (GS-4997)

>  <Catalog Number> (2,541)
S8292

>  <Synonyms> (2,541)
N/A

>  <Target> (2,541)
Caspase

>  <Form> (2,541)
Free Base

>  <URL> (2,541)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

>  <CAS Number> (2,541)
1448428-04-3

$$$$
S4706 Eugenol.cdx
csChFnd80/07171813082D

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2957

>  <Formula> (2,542)
C10H12O2

>  <MolWeight> (2,542)
164.20108

>  <Item Name> (2,542)
Eugenol

>  <Catalog Number> (2,542)
S4706

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4-Allyl-2-methoxyphenol, 4-Allylguaiacol, Eugenic acid, Allylguaiacol

>  <Target> (2,542)
Others

>  <Form> (2,542)
Free Base

>  <URL> (2,542)
http://www.selleckchem.com/products/eugenol.html

>  <CAS Number> (2,542)
97-53-0

$$$$
Rivastigmine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,547)
2962

>  <Formula> (2,547)
C10H12N4O5S

>  <MolWeight> (2,547)
300.29108

>  <Item Name> (2,547)
Tazobactam

>  <Catalog Number> (2,547)
S3077

>  <Synonyms> (2,547)
N/A

>  <Target> (2,547)
Antifection

>  <Form> (2,547)
Free Base

>  <URL> (2,547)
http://www.selleckchem.com/products/tazobactam.html

>  <CAS Number> (2,547)
89786-04-9, 89785-84-2 (sodium salt)

$$$$
S4673 Etonogestrel.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,548)
2966

>  <Formula> (2,548)
C22H28O2

>  <MolWeight> (2,548)
324.45652

>  <Item Name> (2,548)
Etonogestrel

>  <Catalog Number> (2,548)
S4673

>  <Synonyms> (2,548)
Implanon, Nexplanon, 3-Oxodesogestrel, 3-keto-Desogestrel

>  <Target> (2,548)
Estrogen/progestogen Receptor

>  <Form> (2,548)
Free Base

>  <URL> (2,548)
http://www.selleckchem.com/products/etonogestrel.html

>  <CAS Number> (2,548)
54048-10-1

$$$$
S4686 Escin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,549)
2968

>  <Formula> (2,549)
C55H86O24

>  <MolWeight> (2,549)
1131.25694

>  <Item Name> (2,549)
Escin

>  <Catalog Number> (2,549)
S4690

>  <Synonyms> (2,549)
Aescin

>  <Target> (2,549)
Immunology & Inflammation related

>  <Form> (2,549)
Free Base

>  <URL> (2,549)
http://www.selleckchem.com/products/escin.html

>  <CAS Number> (2,549)
6805-41-0

$$$$
>  <Mol_ID> (2,550)
2969

>  <Item Name> (2,550)
Aprotinin

>  <Catalog Number> (2,550)
S7377

>  <Synonyms> (2,550)
N/A

>  <Target> (2,550)
Serine Protease

>  <URL> (2,550)
http://www.selleckchem.com/products/aprotinin.html

>  <CAS Number> (2,550)
9087-70-1

$$$$
TH-302.cdx
csChFnd80/07171813082D

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free base

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918633-87-1

$$$$
Saccharin 1-methylimidazole (SMI).cdx
csChFnd80/07171813082D

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N/A

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DNA/RNA Synthesis

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Free Base

>  <URL> (2,552)
http://www.selleckchem.com/products/saccharin-1-methylimidazole-smi.html

>  <CAS Number> (2,552)
482333-74-4

$$$$
PRIMA-1.cdx
csChFnd80/07171813082D

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2,2-Bis(hydroxymethyl)-3-quinuclidinone

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p53

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Free Base

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http://www.selleckchem.com/products/prima-1.html

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5608-24-2

$$$$
SQ22536.cdx
csChFnd80/07171813082D

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SQ22536

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9-(tetrahydrofuran-2-yl)-9h-purin-6-amine

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cAMP

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Free Base

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http://www.selleckchem.com/products/sq22536.html

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17318-31-9

$$$$
LY333531.cdx
csChFnd80/07171813082D

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>  <Formula> (2,555)
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>  <Item Name> (2,555)
LY333531 HCl

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>  <Synonyms> (2,555)
Ruboxistaurin

>  <Target> (2,555)
PKC

>  <Form> (2,555)
hydrochloride

>  <URL> (2,555)
http://www.selleckchem.com/products/ly333531.html

>  <CAS Number> (2,555)
169939-93-9

$$$$
Liraglutide.cdx
csChFnd80/07171813082D

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>  <Catalog Number> (2,556)
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>  <Target> (2,556)
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>  <Form> (2,556)
Free Base

>  <URL> (2,556)
http://www.selleckchem.com/products/liraglutide.html

>  <CAS Number> (2,556)
204656-20-2

$$$$
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PAK

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1232030-35-1

$$$$
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C19H11N3Na2O7S2

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NSC87877

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S8182

>  <Synonyms> (2,558)
N/A

>  <Target> (2,558)
Others

>  <Form> (2,558)
sodium salt

>  <URL> (2,558)
http://www.selleckchem.com/products/nsc87877.html

>  <CAS Number> (2,558)
56932-43-5

$$$$
A-1155463.cdx
csChFnd80/07171813082D

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>  <Formula> (2,559)
C35H32FN5O4S2

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A-1155463

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S7800

>  <Synonyms> (2,559)
N/A

>  <Target> (2,559)
Bcl-2

>  <Form> (2,559)
hydrochloride

>  <URL> (2,559)
http://www.selleckchem.com/products/a-1155463.html

>  <CAS Number> (2,559)
1235034-55-5

$$$$
Melphalan.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,560)
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>  <Formula> (2,560)
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S8266

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Alkeran, Sarcolysin, L-PAM

>  <Target> (2,560)
Others

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Free Base

>  <URL> (2,560)
http://www.selleckchem.com/products/melphalan.html

>  <CAS Number> (2,560)
148-82-3

$$$$
SIS3.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,561)
2983

>  <Formula> (2,561)
C28H28ClN3O3

>  <MolWeight> (2,561)
489.99322

>  <Item Name> (2,561)
SIS3 HCl

>  <Catalog Number> (2,561)
S7959

>  <Synonyms> (2,561)
N/A

>  <Target> (2,561)
TGF-beta/Smad

>  <Form> (2,561)
hydrochloride

>  <URL> (2,561)
http://www.selleckchem.com/products/sis3.html

>  <CAS Number> (2,561)
521984-48-5

$$$$
MK-4101.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,562)
2984

>  <Formula> (2,562)
C24H24F5N5O

>  <MolWeight> (2,562)
493.472276

>  <Item Name> (2,562)
MK-4101

>  <Catalog Number> (2,562)
S8200

>  <Synonyms> (2,562)
N/A

>  <Target> (2,562)
Hedgehog/Smoothened

>  <Form> (2,562)
Free Base

>  <URL> (2,562)
http://www.selleckchem.com/products/mk-4101.html

>  <CAS Number> (2,562)
935273-79-3

$$$$
VO-Ohpic.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,563)
2985

>  <Formula> (2,563)
C12H15N2O11V

>  <MolWeight> (2,563)
414.1958

>  <Item Name> (2,563)
VO-Ohpic trihydrate

>  <Catalog Number> (2,563)
S8174

>  <Synonyms> (2,563)
N/A

>  <Target> (2,563)
Others

>  <Form> (2,563)
trihydrate

>  <URL> (2,563)
http://www.selleckchem.com/products/vo-ohpic.html

>  <CAS Number> (2,563)
476310-60-8

$$$$
S4704 D-(+)-Cellobiose.cdx
csChFnd80/07171813082D

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M  CFW   2 BOND_GSTEREO 5
M  CFW  13 BOND_GSTEREO 5
M  END
>  <Mol_ID> (2,564)
2986

>  <Formula> (2,564)
C12H22O11

>  <MolWeight> (2,564)
342.29648

>  <Item Name> (2,564)
D-(+)-Cellobiose

>  <Catalog Number> (2,564)
S4704

>  <Synonyms> (2,564)
Cellobiose|Cellose|Beta-Cellobiose|D-Cellobiose

>  <Target> (2,564)
Others

>  <Form> (2,564)
Free Base

>  <URL> (2,564)
http://www.selleckchem.com/products/d-cellobiose.html

>  <CAS Number> (2,564)
528-50-7

$$$$
S4727 Cinnarizine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,565)
2987

>  <Formula> (2,565)
C26H28N2

>  <MolWeight> (2,565)
368.51392

>  <Item Name> (2,565)
Cinnarizine

>  <Catalog Number> (2,565)
S4727

>  <Synonyms> (2,565)
Stugeron|Dimitronal|Stutgin|Cinarizine

>  <Target> (2,565)
Calcium Channel

>  <Form> (2,565)
Free Base

>  <URL> (2,565)
http://www.selleckchem.com/products/cinnarizine.html

>  <CAS Number> (2,565)
298-57-7

$$$$
S4716 Evans Blue.cdx
csChFnd80/07171813082D

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C34H24N6Na4O14S4

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Evans Blue

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S4716

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Direct Blue 53

>  <Target> (2,566)
GluR

>  <Form> (2,566)
sodium salt

>  <URL> (2,566)
http://www.selleckchem.com/products/evans-blue.html

>  <CAS Number> (2,566)
314-13-6

$$$$
S4711 Esculetin.cdx
csChFnd80/07171813082D

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Esculetin

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S4711

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Cichorigenin|Aesculetin

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Free Base

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

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305-01-1

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/07171813082D

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http://www.selleckchem.com/products/kynurenic-acid.html

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492-27-3

$$$$
S4728 3,3'-Diindolylmethane.cdx
csChFnd80/07171813082D

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3,3'-Diindolylmethane

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S4728

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DIM

>  <Target> (2,569)
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>  <Form> (2,569)
Free Base

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http://www.selleckchem.com/products/3-3-diindolylmethane.html

>  <CAS Number> (2,569)
1968-05-4

$$$$
S4717 Isatin.cdx
csChFnd80/07171813082D

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2992

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MAO

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91-56-5

$$$$
S4715 Benzamide.cdx
csChFnd80/07171813082D

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    4.2001    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    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
    0.0000    2.4250    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
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,571)
2993

>  <Formula> (2,571)
C7H7NO

>  <MolWeight> (2,571)
121.13658

>  <Item Name> (2,571)
Benzamide

>  <Catalog Number> (2,571)
S4715

>  <Synonyms> (2,571)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (2,571)
Others

>  <Form> (2,571)
Free Base

>  <URL> (2,571)
http://www.selleckchem.com/products/benzamide.html

>  <CAS Number> (2,571)
55-21-0

$$$$
S4708 Palmitoylethanolamide.cdx
csChFnd80/07171813082D

 21 20  0  0  0  0  0  0  0  0999 V2000
   15.7343    0.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5056    0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9264    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2955    0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1552    0.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0851    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3654    0.0367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1735    2.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9296    0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7102    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7861    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6584    0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4390    0.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    0.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3119    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
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  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
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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,572)
2994

>  <Formula> (2,572)
C18H37NO2

>  <MolWeight> (2,572)
299.49188

>  <Item Name> (2,572)
Palmitoylethanolamide

>  <Catalog Number> (2,572)
S4708

>  <Synonyms> (2,572)
Palmidrol|N-palmitoylethanolamine

>  <Target> (2,572)
PPAR

>  <Form> (2,572)
Free Base

>  <URL> (2,572)
http://www.selleckchem.com/products/palmitoylethanolamide.html

>  <CAS Number> (2,572)
544-31-0

$$$$
S4721 L-Glutamic acid monosodium salt.cdx
csChFnd80/07171813082D

 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
    6.0622    3.5000    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
    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
    0.0000    1.4000    0.0000 Na  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
  3  6  1  0  0  0  0
  3  7  2  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
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,573)
2995

>  <Formula> (2,573)
C5H8NNaO4

>  <MolWeight> (2,573)
169.11109

>  <Item Name> (2,573)
L-Glutamic acid monosodium salt

>  <Catalog Number> (2,573)
S4721

>  <Synonyms> (2,573)
Monosodium glutamate|MSG

>  <Target> (2,573)
Others

>  <Form> (2,573)
sodium salt

>  <URL> (2,573)
http://www.selleckchem.com/products/l-glutamic-acid-monosodium-salt.html

>  <CAS Number> (2,573)
142-47-2

$$$$
S4718 Acetylcholine iodide.cdx
csChFnd80/07171813082D

 11  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    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> (2,574)
2996

>  <Formula> (2,574)
C7H16INO2

>  <MolWeight> (2,574)
273.11191

>  <Item Name> (2,574)
Acetylcholine iodide

>  <Catalog Number> (2,574)
S4718

>  <Synonyms> (2,574)
Acetylcolina

>  <Target> (2,574)
Others

>  <Form> (2,574)
iodide salt

>  <URL> (2,574)
http://www.selleckchem.com/products/acetylcholine-iodide.html

>  <CAS Number> (2,574)
2260-50-6

$$$$
S7801-A-1331852.cdx
csChFnd80/07171813082D

 48 56  0  0  0  0  0  0  0  0999 V2000
    1.4000   10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124   10.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2497   10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   10.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6152    4.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    5.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3784    6.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1847    3.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5161    2.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.9793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326    3.7564    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2054    3.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8785    1.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4909    0.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9161    2.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1286    1.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4909    3.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2161    3.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6161    3.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2785    1.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7033    2.8447    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
  8 11  1  0  0  0  0
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 27 28  2  0  0  0  0
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 34 30  1  0  0  0  0
 32 35  1  0  0  0  0
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 36 37  1  0  0  0  0
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 38 33  1  0  0  0  0
 21 39  1  0  0  0  0
 26 40  1  0  0  0  0
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 48 46  1  0  0  0  0
 48 47  1  0  0  0  0
M  END
>  <Mol_ID> (2,575)
2997

>  <Formula> (2,575)
C38H38N6O3S

>  <MolWeight> (2,575)
658.81172

>  <Item Name> (2,575)
A-1331852

>  <Catalog Number> (2,575)
S7801

>  <Synonyms> (2,575)
N/A

>  <Target> (2,575)
Bcl-2

>  <Form> (2,575)
Free Base

>  <URL> (2,575)
http://www.selleckchem.com/products/a-1331852.html

>  <CAS Number> (2,575)
1430844-80-6

$$$$
S4714 (-)-Menthol.cdx
csChFnd80/07171813082D

 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> (2,576)
2998

>  <Formula> (2,576)
C10H20O

>  <MolWeight> (2,576)
156.2652

>  <Item Name> (2,576)
(-)-Menthol

>  <Catalog Number> (2,576)
S4714

>  <Synonyms> (2,576)
L-Menthol|Levomenthol|Menthomenthol|Menthacamphor

>  <Target> (2,576)
Others

>  <Form> (2,576)
Free Base

>  <URL> (2,576)
http://www.selleckchem.com/products/-menthol.html

>  <CAS Number> (2,576)
2216-51-5

$$$$
S4712 Diethylmaleate.cdx
csChFnd80/07171813082D

 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
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Diethylmaleate

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S4712

>  <Target> (2,577)
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>  <Form> (2,577)
Free Base

>  <URL> (2,577)
http://www.selleckchem.com/products/diethylmaleate.html

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141-05-9

$$$$
BI-9564.cdx
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Epigenetic Reader Domain

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Free Base

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http://www.selleckchem.com/products/bi-9564.html

>  <CAS Number> (2,578)
1883429-22-8

$$$$
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csChFnd80/07171813082D

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>  <Formula> (2,579)
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>  <MolWeight> (2,579)
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>  <Synonyms> (2,579)
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>  <Target> (2,579)
EGFR

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Free Base

>  <URL> (2,579)
http://www.selleckchem.com/products/eai045.html

>  <CAS Number> (2,579)
1942114-09-1

$$$$
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GS-9620.cdx
csChFnd80/07171813082D

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C22H30N6O2

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GS-9620

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S7221

>  <Synonyms> (2,583)
N/A

>  <Target> (2,583)
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>  <Form> (2,583)
Free Base

>  <URL> (2,583)
http://www.selleckchem.com/products/gs-9620.html

>  <CAS Number> (2,583)
1228585-88-3

$$$$
S4726 Lauric Acid.cdx
csChFnd80/07171813082D

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C12H24O2

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Lauric Acid

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S4726

>  <Synonyms> (2,584)
N/A

>  <Target> (2,584)
Others

>  <Form> (2,584)
Free Base

>  <URL> (2,584)
http://www.selleckchem.com/products/lauric-acid.html

>  <CAS Number> (2,584)
143-07-7

$$$$
S4725 Benzenesulfonamide.cdx
csChFnd80/07171813082D

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3008

>  <Formula> (2,585)
C6H7NO2S

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157.19028

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Benzenesulfonamide

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S4725

>  <Synonyms> (2,585)
N/A

>  <Target> (2,585)
Carbonic Anhydrase

>  <Form> (2,585)
Free Base

>  <URL> (2,585)
http://www.selleckchem.com/products/benzenesulfonamide.html

>  <CAS Number> (2,585)
98-10-2

$$$$
KYA1797K.cdx
csChFnd80/07171813082D

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3009

>  <Formula> (2,586)
C17H11KN2O6S2

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KYA1797K

>  <Catalog Number> (2,586)
S8327

>  <Synonyms> (2,586)
N/A

>  <Target> (2,586)
Wnt/beta-catenin

>  <Form> (2,586)
potassium salt

>  <URL> (2,586)
http://www.selleckchem.com/products/kya1797k.html

>  <CAS Number> (2,586)
1956356-56-1

$$$$
AZD8835.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,587)
3010

>  <Formula> (2,587)
C22H31N9O3

>  <MolWeight> (2,587)
469.54004

>  <Item Name> (2,587)
AZD8835

>  <Catalog Number> (2,587)
S7966

>  <Synonyms> (2,587)
N/A

>  <Target> (2,587)
PI3K

>  <Form> (2,587)
Free Base

>  <URL> (2,587)
http://www.selleckchem.com/products/azd8835.html

>  <CAS Number> (2,587)
1620576-64-8

$$$$
Necrosulfonamide.cdx
csChFnd80/07171813082D

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Syk

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dihydrochloride

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http://www.selleckchem.com/products/bay-61-3606.html

>  <CAS Number> (2,589)
648903-57-5

$$$$
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$$$$
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Trk receptor

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sulfate

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1223405-08-0

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N/A

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Free Base

>  <URL> (2,593)
http://www.selleckchem.com/products/cemmec13.html

>  <CAS Number> (2,593)
1790895-25-8

$$$$
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RHPS 4 methosulfate

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>  <Synonyms> (2,594)
NSC714187

>  <Target> (2,594)
Telomerase

>  <Form> (2,594)
methyl sulfate

>  <URL> (2,594)
http://www.selleckchem.com/products/rhps4-nsc714187.html

>  <CAS Number> (2,594)
390362-78-4

$$$$
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N/A

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Proton Pump

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Free Base

>  <URL> (2,595)
http://www.selleckchem.com/products/pantoprazole-protonix.html

>  <CAS Number> (2,595)
102625-70-7

$$$$
APS-2-79.cdx
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EGFR

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CXCR

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Dihydrochloride

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http://www.selleckchem.com/products/zk756326.html

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874911-96-3

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JAK

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Free Base

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http://www.selleckchem.com/products/bms-911543.html

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1271022-90-2

$$$$
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Histone Methyltransferase

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>  <URL> (2,601)
http://www.selleckchem.com/products/lly-507.html

>  <CAS Number> (2,601)
1793053-37-8

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 26 29  1  0  0  0  0
  9 30  1  1  0  0  0
  8 31  1  1  0  0  0
M  END
>  <Mol_ID> (2,602)
3026

>  <Formula> (2,602)
C23H22O6

>  <MolWeight> (2,602)
394.41718

>  <Item Name> (2,602)
Deguelin

>  <Catalog Number> (2,602)
S8132

>  <Synonyms> (2,602)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (2,602)
Akt

>  <Form> (2,602)
Free Base

>  <URL> (2,602)
http://www.selleckchem.com/products/deguelin.html

>  <CAS Number> (2,602)
522-17-8

$$$$
S4700 4-Aminobutyric acid.cdx
csChFnd80/07171813082D

  7  6  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
    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
    1.2124    0.0000    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    0.0000    0.0000 O   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
  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  1  0  0  0  0
M  END
>  <Mol_ID> (2,603)
3027

>  <Formula> (2,603)
C4H9NO2

>  <MolWeight> (2,603)
103.11976

>  <Item Name> (2,603)
4-Aminobutyric acid

>  <Catalog Number> (2,603)
S4700

>  <Synonyms> (2,603)
4-Aminobutanoic acid, GABA, Gamma-aminobutyric acid, Piperidic acid

>  <Target> (2,603)
GABA Receptor

>  <Form> (2,603)
Free Base

>  <URL> (2,603)
http://www.selleckchem.com/products/4-aminobutyric-acid.html

>  <CAS Number> (2,603)
56-12-2

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/07171813082D

 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> (2,604)
3028

>  <Formula> (2,604)
C6H12O5

>  <MolWeight> (2,604)
164.15648

>  <Item Name> (2,604)
2-Deoxy-D-glucose

>  <Catalog Number> (2,604)
S4701

>  <Synonyms> (2,604)
2-deoxyglucose, NSC 15193

>  <Target> (2,604)
Others

>  <Form> (2,604)
Free Base

>  <URL> (2,604)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

>  <CAS Number> (2,604)
154-17-6

$$$$
S4702 Sarcosine.cdx
csChFnd80/07171813082D

  6  5  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 N   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
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (2,605)
3029

>  <Formula> (2,605)
C3H7NO2

>  <MolWeight> (2,605)
89.09318

>  <Item Name> (2,605)
Sarcosine

>  <Catalog Number> (2,605)
S4702

>  <Synonyms> (2,605)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (2,605)
NMDAR

>  <Form> (2,605)
Free Base

>  <URL> (2,605)
http://www.selleckchem.com/products/sarcosine.html

>  <CAS Number> (2,605)
107-97-1

$$$$
S4703 Choline bitartrate.cdx
csChFnd80/07171813082D

 17 15  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  2  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
    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
    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 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
    1.2124    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  5  0  0  0  0  0  0  0  0  0  0
   11.0278    0.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8153    1.5102    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.2402    1.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6029    2.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5153    2.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1153    0.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4526    0.8102    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  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  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
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,606)
3030

>  <Formula> (2,606)
C9H19NO7

>  <MolWeight> (2,606)
253.24966

>  <Item Name> (2,606)
Choline bitartrate

>  <Catalog Number> (2,606)
S4703

>  <Synonyms> (2,606)
2-hydroxyethyl(trimethyl)azanium;2,3,4-trihydroxy-4-oxobutanoate

>  <Target> (2,606)
Others

>  <Form> (2,606)
tartrate

>  <URL> (2,606)
http://www.selleckchem.com/products/choline-bitartrate.html

>  <CAS Number> (2,606)
87-67-2

$$$$
S4707 Oleic Acid.cdx
csChFnd80/07171813082D

 20 19  0  0  0  0  0  0  0  0999 V2000
    8.4870    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
    7.2746    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
    6.0622    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
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    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
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    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
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 O   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
   15.7617    2.1000    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
   16.9741    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  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
 13 16  2  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
M  END
>  <Mol_ID> (2,607)
3031

>  <Formula> (2,607)
C18H34O2

>  <MolWeight> (2,607)
282.46136

>  <Item Name> (2,607)
Oleic Acid

>  <Catalog Number> (2,607)
S4707

>  <Synonyms> (2,607)
Oleate, 9-Octadecenoic Acid, Elaidoic acid

>  <Target> (2,607)
Others

>  <Form> (2,607)
Free Base

>  <URL> (2,607)
http://www.selleckchem.com/products/oleic-acid.html

>  <CAS Number> (2,607)
112-80-1

$$$$
S4709 Latanoprost.cdx
csChFnd80/07171813082D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.2373    7.3057    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4598    6.1253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3483    8.4038    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6356    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772    6.4739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9670    4.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9892    7.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173    9.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3356    6.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3507    4.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7356    6.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    3.3023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4356    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2415    3.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9814    2.2106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8356    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7487    1.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5356    8.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1324    1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9356    8.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6267    0.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9916    2.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6356    9.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6356    7.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0794    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4215    2.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0356    9.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7356    8.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7356   11.0116    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  1  6  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  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 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
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,608)
3032

>  <Formula> (2,608)
C26H40O5

>  <MolWeight> (2,608)
432.5928

>  <Item Name> (2,608)
Latanoprost

>  <Catalog Number> (2,608)
S4709

>  <Synonyms> (2,608)
Xalatan, PhXA41, PHXA-41

>  <Target> (2,608)
GPR

>  <Form> (2,608)
Free Base

>  <URL> (2,608)
http://www.selleckchem.com/products/latanoprost.html

>  <CAS Number> (2,608)
130209-82-4

$$$$
S4710 Picolinamide.cdx
csChFnd80/07171813082D

  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> (2,609)
3033

>  <Formula> (2,609)
C6H6N2O

>  <MolWeight> (2,609)
122.12464

>  <Item Name> (2,609)
Picolinamide

>  <Catalog Number> (2,609)
S4710

>  <Synonyms> (2,609)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (2,609)
PARP

>  <Form> (2,609)
Free Base

>  <URL> (2,609)
http://www.selleckchem.com/products/picolinamide.html

>  <CAS Number> (2,609)
1452-77-3

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/07171813082D

 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  2  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    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
    8.4871    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
    8.4871    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  6  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> (2,610)
3034

>  <Formula> (2,610)
C15H14O6

>  <MolWeight> (2,610)
290.26806

>  <Item Name> (2,610)
(+)-Catechin

>  <Catalog Number> (2,610)
S4722

>  <Synonyms> (2,610)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (2,610)
Others

>  <Form> (2,610)
Free Base

>  <URL> (2,610)
http://www.selleckchem.com/products/catechin.html

>  <CAS Number> (2,610)
154-23-4

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/07171813082D

 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> (2,611)
3035

>  <Formula> (2,611)
C15H14O6

>  <MolWeight> (2,611)
290.26806

>  <Item Name> (2,611)
(-)Epicatechin

>  <Catalog Number> (2,611)
S4723

>  <Synonyms> (2,611)
L-Epicatechin, (-)-Epicatechol

>  <Target> (2,611)
Others

>  <Form> (2,611)
Free Base

>  <URL> (2,611)
http://www.selleckchem.com/products/-epicatechin.html

>  <CAS Number> (2,611)
490-46-0

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/07171813082D

 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> (2,612)
3036

>  <Formula> (2,612)
C21H26ClN3OS

>  <MolWeight> (2,612)
403.96864

>  <Item Name> (2,612)
Perphenazine

>  <Catalog Number> (2,612)
S4731

>  <Synonyms> (2,612)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (2,612)
Dopamine Receptor

>  <Form> (2,612)
Free Base

>  <URL> (2,612)
http://www.selleckchem.com/products/perphenazine.html

>  <CAS Number> (2,612)
58-39-9

$$$$
Prochlorperazine dimaleate salt.cdx
csChFnd80/07171813082D

 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
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 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
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 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
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 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> (2,613)
3037

>  <Formula> (2,613)
C28H32ClN3O8S

>  <MolWeight> (2,613)
606.08698

>  <Item Name> (2,613)
Prochlorperazine dimaleate salt

>  <Catalog Number> (2,613)
S4631

>  <Synonyms> (2,613)
Prochlorperazin, Compazine, Capazine, Stemetil

>  <Target> (2,613)
Dopamine Receptor

>  <Form> (2,613)
dimaleate

>  <URL> (2,613)
http://www.selleckchem.com/products/prochlorperazine.html

>  <CAS Number> (2,613)
84-02-6

$$$$
Voreloxin  SNS-595.cdx
csChFnd80/07171813082D

 29 31  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    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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    1.2124    1.4000    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
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    6.4229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7028    4.6710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0028    5.8834    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6334    5.5923    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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Voreloxin (SNS-595) hydrochloride

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S7518

>  <Synonyms> (2,614)
N/A

>  <Target> (2,614)
Topoisomerase

>  <Form> (2,614)
hydrochloride

>  <URL> (2,614)
http://www.selleckchem.com/products/voreloxin-sns-595.html

>  <CAS Number> (2,614)
175519-16-1

$$$$
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csChFnd80/07171813082D

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BAW2881 (NVP-BAW2881)

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N/A

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VEGFR

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Free Base

>  <URL> (2,615)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

>  <CAS Number> (2,615)
861875-60-7

$$$$
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N/A

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Integrin

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Free Base

>  <URL> (2,616)
http://www.selleckchem.com/products/leukadherin-1.html

>  <CAS Number> (2,616)
344897-95-6

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csChFnd80/07171813082D

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Epigenetic Reader Domain

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Free Base

>  <URL> (2,617)
http://www.selleckchem.com/products/cpi-637.html

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1884712-47-3

$$$$
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M  END
>  <Mol_ID> (2,618)
3043

>  <Formula> (2,618)
C29H34F3N3O5S

>  <MolWeight> (2,618)
593.6575696

>  <Item Name> (2,618)
GGTI 298 TFA salt

>  <Catalog Number> (2,618)
S7466

>  <Synonyms> (2,618)
N/A

>  <Target> (2,618)
Transferase

>  <Form> (2,618)
trifluoroacetat

>  <URL> (2,618)
http://www.selleckchem.com/products/ggti-298.html

>  <CAS Number> (2,618)
1217457-86-7

$$$$
Pamapimod.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,619)
3044

>  <Formula> (2,619)
C19H20F2N4O4

>  <MolWeight> (2,619)
406.3833064

>  <Item Name> (2,619)
Pamapimod (R-1503, Ro4402257)

>  <Catalog Number> (2,619)
S8125

>  <Synonyms> (2,619)
N/A

>  <Target> (2,619)
p38 MAPK

>  <Form> (2,619)
Free Base

>  <URL> (2,619)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

>  <CAS Number> (2,619)
449811-01-2

$$$$
Alantolactone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,620)
3045

>  <Formula> (2,620)
C15H20O2

>  <MolWeight> (2,620)
232.3181

>  <Item Name> (2,620)
Alantolactone

>  <Catalog Number> (2,620)
S8318

>  <Synonyms> (2,620)
helenin, helenine, Eupatal

>  <Target> (2,620)
Others

>  <Form> (2,620)
Free Base

>  <URL> (2,620)
http://www.selleckchem.com/products/alantolactone.html

>  <CAS Number> (2,620)
546-43-0

$$$$
ML390.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,621)
3046

>  <Formula> (2,621)
C21H21F3N2O3

>  <MolWeight> (2,621)
406.3982496

>  <Item Name> (2,621)
ML390

>  <Catalog Number> (2,621)
S8382

>  <Synonyms> (2,621)
N/A

>  <Target> (2,621)
Dehydrogenase

>  <Form> (2,621)
Free Base

>  <URL> (2,621)
http://www.selleckchem.com/products/ml390.html

$$$$
SKL2001.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,622)
3047

>  <Formula> (2,622)
C14H14N4O3

>  <MolWeight> (2,622)
286.28596

>  <Item Name> (2,622)
SKL2001

>  <Catalog Number> (2,622)
S8320

>  <Synonyms> (2,622)
N/A

>  <Target> (2,622)
Wnt/beta-catenin

>  <Form> (2,622)
Free Base

>  <URL> (2,622)
http://www.selleckchem.com/products/skl2001.html

>  <CAS Number> (2,622)
909089-13-0

$$$$
AS101.cdx
csChFnd80/07171813082D

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N/A

>  <Target> (2,623)
Others

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Coordination Co

>  <URL> (2,623)
http://www.selleckchem.com/products/as101.html

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106566-58-9

$$$$
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OICR-9429

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Histone Methyltransferase

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Free Base

>  <URL> (2,624)
http://www.selleckchem.com/products/oicr-9429.html

>  <CAS Number> (2,624)
1801787-56-3

$$$$
BDA-366.cdx
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C24H29N3O4

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>  <Item Name> (2,625)
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N/A

>  <Target> (2,625)
Bcl-2

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Free Base

>  <URL> (2,625)
http://www.selleckchem.com/products/bda-366.html

>  <CAS Number> (2,625)
1909226-00-1

$$$$
S4732 MPTP hydrochloride.cdx
csChFnd80/07171813082D

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C12H16ClN

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MPTP hydrochloride

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N/A

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Dopamine Receptor

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hydrochloride

>  <URL> (2,626)
http://www.selleckchem.com/products/mptp-hydrochloride.html

>  <CAS Number> (2,626)
23007-85-4

$$$$
untitled.cdx
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Histone Methyltransferase

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Free Base

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115103-85-0

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>  <Synonyms> (2,632)
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>  <Target> (2,632)
Estrogen/progestogen Receptor

>  <Form> (2,632)
Free Base

>  <URL> (2,632)
http://www.selleckchem.com/products/azd9496.html

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1639042-08-2

$$$$
GSK269962.cdx
csChFnd80/07171813082D

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ROCK

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hydrochloride

>  <URL> (2,633)
http://www.selleckchem.com/products/gsk269962.html

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850664-21-0(free base)

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csChFnd80/07171813082D

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>  <Target> (2,634)
IGF-1R

>  <Form> (2,634)
Free Base

>  <URL> (2,634)
http://www.selleckchem.com/products/nt157.html

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1384426-12-3

$$$$
PD-1PD-L1 Inhibitor 3.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,635)
3061

>  <Formula> (2,635)
C89H126N24O18S

>  <MolWeight> (2,635)
1852.16774

>  <Item Name> (2,635)
PD-1/PD-L1 Inhibitor 3

>  <Catalog Number> (2,635)
S8158

>  <Synonyms> (2,635)
N/A

>  <Target> (2,635)
PD-1/PD-L1

>  <Form> (2,635)
Free Base

>  <URL> (2,635)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-3.html

>  <CAS Number> (2,635)
1629654-95-0

$$$$
S4729 Tamsulosin hydrochloride.cdx
csChFnd80/07171813082D

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Tamsulosin hydrochloride

>  <Catalog Number> (2,636)
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Tamsulosina hydrochloride, Tamsulosinum hydrochloride

>  <Target> (2,636)
Adrenergic Receptor

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hydrochloride

>  <URL> (2,636)
http://www.selleckchem.com/products/tamsulosin-hydrochloride.html

>  <CAS Number> (2,636)
106463-17-6

$$$$
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csChFnd80/07171813082D

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ribozinoindole-1

>  <Target> (2,637)
DNA/RNA Synthesis

>  <Form> (2,637)
Free Base

>  <URL> (2,637)
http://www.selleckchem.com/products/rbin-1.html

>  <CAS Number> (2,637)
328023-11-6

$$$$
RO9021.cdx
csChFnd80/07171813082D

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RO9021

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>  <Synonyms> (2,638)
N/A

>  <Target> (2,638)
Syk

>  <Form> (2,638)
Free Base

>  <URL> (2,638)
http://www.selleckchem.com/products/ro9021.html

>  <CAS Number> (2,638)
1446790-62-0

$$$$
YM-58483 (BTP2).cdx
csChFnd80/07171813082D

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C15H9F6N5OS

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YM-58483 (BTP2)

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N/A

>  <Target> (2,639)
Calcium Channel

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Free Base

>  <URL> (2,639)
http://www.selleckchem.com/products/ym-58483-btp2.html

>  <CAS Number> (2,639)
223499-30-7

$$$$
BGP-15.cdx
csChFnd80/07171813082D

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>  <Formula> (2,640)
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>  <Item Name> (2,640)
BGP-15 2HCl

>  <Catalog Number> (2,640)
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>  <Synonyms> (2,640)
N/A

>  <Target> (2,640)
PARP

>  <Form> (2,640)
dihydrochloride

>  <URL> (2,640)
http://www.selleckchem.com/products/bgp-15.html

>  <CAS Number> (2,640)
66611-37-8

$$$$
Netarsudil (AR-13324).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,641)
3067

>  <Formula> (2,641)
C28H29Cl2N3O3

>  <MolWeight> (2,641)
526.45416

>  <Item Name> (2,641)
Netarsudil (AR-13324) 2HCl

>  <Catalog Number> (2,641)
S8226

>  <Synonyms> (2,641)
N/A

>  <Target> (2,641)
ROCK

>  <Form> (2,641)
dihydrochloride

>  <URL> (2,641)
http://www.selleckchem.com/products/netarsudil-ar-13324.html

>  <CAS Number> (2,641)
1253952-02-1

$$$$
HPI-4 (Ciliobrevin A).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,642)
3068

>  <Formula> (2,642)
C17H9Cl2N3O2

>  <MolWeight> (2,642)
358.17826

>  <Item Name> (2,642)
HPI-4 (Ciliobrevin A)

>  <Catalog Number> (2,642)
S8249

>  <Synonyms> (2,642)
Hedgehog Pathway Inhibitor 4

>  <Target> (2,642)
Hedgehog/Smoothened

>  <Form> (2,642)
Free Base

>  <URL> (2,642)
http://www.selleckchem.com/products/hpi-4-ciliobrevin-a.html

>  <CAS Number> (2,642)
302803-72-1

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,643)
3069

>  <Formula> (2,643)
C26H24N8O2

>  <MolWeight> (2,643)
480.52116

>  <Item Name> (2,643)
ARRY-380 (ONT-380)

>  <Catalog Number> (2,643)
S8362

>  <Synonyms> (2,643)
Tucatinib

>  <Target> (2,643)
HER2

>  <Form> (2,643)
Free Base

>  <URL> (2,643)
http://www.selleckchem.com/products/arry-380-ont-380.html

>  <CAS Number> (2,643)
937263-43-9

$$$$
CPI-455.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,644)
3070

>  <Formula> (2,644)
C16H15ClN4O

>  <MolWeight> (2,644)
314.7695

>  <Item Name> (2,644)
CPI-455 HCl

>  <Catalog Number> (2,644)
S8287

>  <Synonyms> (2,644)
N/A

>  <Target> (2,644)
Histone Demethylase

>  <Form> (2,644)
hydrochloride

>  <URL> (2,644)
http://www.selleckchem.com/products/cpi-455.html

>  <CAS Number> (2,644)
1628208-23-0(free base)

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/07171813082D

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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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csChFnd80/07171813082D

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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
csChFnd80/07171813082D

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Mdm2

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>  <URL> (2,647)
http://www.selleckchem.com/products/mx69.html

>  <CAS Number> (2,647)
1005264-47-0

$$$$
CA-074 methyl ester.cdx
csChFnd80/07171813082D

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CA-074 methyl ester (CA-074 Me)

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Cathepsin B Inhibitor IV

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Cysteine Protease

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http://www.selleckchem.com/products/ca-074-methyl-ester.html

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147859-80-1

$$$$
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C13H18N2O5S

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>  <Item Name> (2,649)
NS-398 (NS398)

>  <Catalog Number> (2,649)
S8433

>  <Synonyms> (2,649)
N-(2-cyclohexyloxy-4-nitrophenyl)methane sulfonamide

>  <Target> (2,649)
COX

>  <Form> (2,649)
Free Base

>  <URL> (2,649)
http://www.selleckchem.com/products/ns-398-ns398.html

>  <CAS Number> (2,649)
123653-11-2

$$$$
ML-7.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,650)
3076

>  <Formula> (2,650)
C15H18ClIN2O2S

>  <MolWeight> (2,650)
452.73809

>  <Item Name> (2,650)
ML-7 HCl

>  <Catalog Number> (2,650)
S8388

>  <Synonyms> (2,650)
N/A

>  <Target> (2,650)
Others

>  <Form> (2,650)
hydrochloride

>  <URL> (2,650)
http://www.selleckchem.com/products/ml-7.html

>  <CAS Number> (2,650)
110448-33-4

$$$$
UNC3866.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,651)
3077

>  <Formula> (2,651)
C43H66N6O8

>  <MolWeight> (2,651)
795.01954

>  <Item Name> (2,651)
UNC3866

>  <Catalog Number> (2,651)
S8359

>  <Synonyms> (2,651)
Free Base

>  <Target> (2,651)
Histone Methyltransferase

>  <Form> (2,651)
Free Base

>  <URL> (2,651)
http://www.selleckchem.com/products/unc3866.html

>  <CAS Number> (2,651)
1872382-47-2

$$$$
Etomoxir (Na salt).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,652)
3078

>  <Formula> (2,652)
C15H18ClNaO4

>  <MolWeight> (2,652)
320.74379

>  <Item Name> (2,652)
Etomoxir (Na salt)

>  <Catalog Number> (2,652)
S8244

>  <Synonyms> (2,652)
N/A

>  <Target> (2,652)
Transferase

>  <Form> (2,652)
sodium salt

>  <URL> (2,652)
http://www.selleckchem.com/products/etomoxir-na-salt.html

>  <CAS Number> (2,652)
828934-41-4

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/07171813082D

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Apoptosis Activator VII

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HSP

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Free Base

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1054543-47-3

$$$$
XMU-MP-1.cdx
csChFnd80/07171813082D

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Hippo pathway

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Free Base

>  <URL> (2,662)
http://www.selleckchem.com/products/xmu-mp-1.html

$$$$
Y-39983 HCl.cdx
csChFnd80/07171813082D

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>  <Formula> (2,663)
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>  <Item Name> (2,663)
Y-39983 HCl

>  <Catalog Number> (2,663)
S7935

>  <Synonyms> (2,663)
Y-33075 HCl

>  <Target> (2,663)
ROCK

>  <Form> (2,663)
dihydrochloride

>  <URL> (2,663)
http://www.selleckchem.com/products/y-39983-hcl.html

>  <CAS Number> (2,663)
173897-44-4

$$$$
APR-246 (PRIMA-1MET).cdx
csChFnd80/07171813082D

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5291-32-7

$$$$
S4736 Trapidil.cdx
csChFnd80/07171813082D

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15421-84-8

$$$$
MS049.cdx
csChFnd80/07171813082D

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>  <Target> (2,666)
Histone Methyltransferase

>  <Form> (2,666)
dihydrochloride

>  <URL> (2,666)
http://www.selleckchem.com/products/ms049.html

>  <CAS Number> (2,666)
1502816-23-0(free base)

$$$$
CeMMEC1.cdx
csChFnd80/07171813082D

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CeMMEC1 HCl

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>  <Synonyms> (2,667)
N/A

>  <Target> (2,667)
DNA/RNA Synthesis

>  <Form> (2,667)
hydrochloride

>  <URL> (2,667)
http://www.selleckchem.com/products/cemmec1.html

>  <CAS Number> (2,667)
440662-09-9(free base)

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/07171813082D

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ZINC00881524 (ROCK inhibitor)

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N/A

>  <Target> (2,668)
ROCK

>  <Form> (2,668)
Free Base

>  <URL> (2,668)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

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557782-81-7

$$$$
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csChFnd80/07171813082D

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CaMK

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52029-86-4

$$$$
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>  <URL> (2,670)
http://www.selleckchem.com/products/azd3293-ly3314814.html

>  <CAS Number> (2,670)
1383982-64-6

$$$$
NSC12.cdx
csChFnd80/07171813082D

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N/A

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Histone Methyltransferase

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Free Base

>  <URL> (2,674)
http://www.selleckchem.com/products/unc0638.html

>  <CAS Number> (2,674)
1255580-76-7

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Nemiralisib

>  <Target> (2,675)
PI3K

>  <Form> (2,675)
Free Base

>  <URL> (2,675)
http://www.selleckchem.com/products/gsk2269557.html

>  <CAS Number> (2,675)
1254036-71-9

$$$$
Salinomycin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,676)
3104

>  <Formula> (2,676)
C42H70O11

>  <MolWeight> (2,676)
750.9986

>  <Item Name> (2,676)
Salinomycin (from Streptomyces albus)

>  <Catalog Number> (2,676)
S8129

>  <Synonyms> (2,676)
Coxistac, Bio-cox

>  <Target> (2,676)
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>  <Form> (2,676)
Free Base

>  <URL> (2,676)
http://www.selleckchem.com/products/salinomycin.html

>  <CAS Number> (2,676)
53003-10-4

$$$$
S4747 Jervine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,677)
3105

>  <Formula> (2,677)
C27H39NO3

>  <MolWeight> (2,677)
425.60346

>  <Item Name> (2,677)
Jervine

>  <Catalog Number> (2,677)
S4747

>  <Synonyms> (2,677)
11-Ketocyclopamine

>  <Target> (2,677)
Hedgehog/Smoothened

>  <Form> (2,677)
Free Base

>  <URL> (2,677)
http://www.selleckchem.com/products/jervine.html

>  <CAS Number> (2,677)
469-59-0

$$$$
S4746 (20S)-Protopanaxadiol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,678)
3106

>  <Formula> (2,678)
C30H52O3

>  <MolWeight> (2,678)
460.73208

>  <Item Name> (2,678)
(20S)-Protopanaxadiol

>  <Catalog Number> (2,678)
S4746

>  <Synonyms> (2,678)
20-Epiprotopanaxadiol

>  <Target> (2,678)
Others

>  <Form> (2,678)
Free Base

>  <URL> (2,678)
http://www.selleckchem.com/products/20s-protopanaxadiol.html

>  <CAS Number> (2,678)
30636-90-9

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,679)
3107

>  <Formula> (2,679)
C10H9NaO4

>  <MolWeight> (2,679)
216.16583

>  <Item Name> (2,679)
Sodium ferulate

>  <Catalog Number> (2,679)
S4740

>  <Synonyms> (2,679)
Ferulic acid sodium salt

>  <Target> (2,679)
Thrombin

>  <Form> (2,679)
Sodium salt

>  <URL> (2,679)
http://www.selleckchem.com/products/ferulic-acid-sodium.html

>  <CAS Number> (2,679)
24276-84-4

$$$$
S4739 Oxyresveratrol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,680)
3108

>  <Formula> (2,680)
C14H12O4

>  <MolWeight> (2,680)
244.24268

>  <Item Name> (2,680)
Oxyresveratrol

>  <Catalog Number> (2,680)
S4739

>  <Synonyms> (2,680)
Tetrahydroxystilbene, 2,3',4,5'-tetrahydroxystilbene

>  <Target> (2,680)
Others

>  <Form> (2,680)
Free Base

>  <URL> (2,680)
http://www.selleckchem.com/products/oxyresveratrol.html

>  <CAS Number> (2,680)
29700-22-9

$$$$
S4738 Arctiin.cdx
csChFnd80/07171813082D

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Free Base

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

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20362-31-6

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csChFnd80/07171813082D

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Kinesin

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Free Base

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

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329689-23-8

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csChFnd80/07171813082D

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Gamma-secretase

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Free Base

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http://www.selleckchem.com/products/ly3039478.html

>  <CAS Number> (2,684)
1421438-81-4

$$$$
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csChFnd80/07171813082D

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Salvianic acid A

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P450

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Free Base

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76822-21-4

$$$$
EPZ020411.cdx
csChFnd80/07171813082D

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EPZ020411 2HCl

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Histone Methyltransferase

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dihydrochloride

>  <URL> (2,686)
http://www.selleckchem.com/products/epz020411.html

>  <CAS Number> (2,686)
1700663-41-7(free base)

$$$$
Capsazepine.cdx
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3119

>  <Formula> (2,691)
C23H17FN6O2

>  <MolWeight> (2,691)
428.4184832

>  <Item Name> (2,691)
TAK-063

>  <Catalog Number> (2,691)
S8459

>  <Synonyms> (2,691)
Balipodect

>  <Target> (2,691)
PDE

>  <Form> (2,691)
Free Base

>  <URL> (2,691)
http://www.selleckchem.com/products/tak-063.html

>  <CAS Number> (2,691)
1238697-26-1

$$$$
1400W.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,692)
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>  <Formula> (2,692)
C10H17Cl2N3

>  <MolWeight> (2,692)
250.16808

>  <Item Name> (2,692)
1400W 2HCl

>  <Catalog Number> (2,692)
S8337

>  <Synonyms> (2,692)
N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (2,692)
Others

>  <Form> (2,692)
dihydrochloride

>  <URL> (2,692)
http://www.selleckchem.com/products/1400w.html

>  <CAS Number> (2,692)
214358-33-5

$$$$
ARQ 092.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,693)
3121

>  <Formula> (2,693)
C27H25ClN6

>  <MolWeight> (2,693)
468.9806

>  <Item Name> (2,693)
Miransertib (ARQ 092)HCl

>  <Catalog Number> (2,693)
S8339

>  <Synonyms> (2,693)
Miransertib

>  <Target> (2,693)
Akt

>  <Form> (2,693)
hydrochloride

>  <URL> (2,693)
http://www.selleckchem.com/products/arq-092.html

>  <CAS Number> (2,693)
1313883-00-9

$$$$
Genistin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,694)
3122

>  <Formula> (2,694)
C21H20O10

>  <MolWeight> (2,694)
432.3775

>  <Item Name> (2,694)
Genistin (Genistoside)

>  <Catalog Number> (2,694)
S2301

>  <Synonyms> (2,694)
Genistoside, Genistine, Genistein 7-glucoside, Genistein glucoside

>  <Target> (2,694)
Others

>  <Form> (2,694)
Free Base

>  <URL> (2,694)
http://www.selleckchem.com/products/Genistin(Genistoside).html

>  <CAS Number> (2,694)
529-59-9

$$$$
>  <Mol_ID> (2,695)
3123

>  <Item Name> (2,695)
Grape Seed Extract

>  <Catalog Number> (2,695)
S2305

>  <Synonyms> (2,695)
N/A

>  <Target> (2,695)
Others

>  <URL> (2,695)
http://www.selleckchem.com/products/Grape-Seed-Extract.html

>  <CAS Number> (2,695)
84929-27-1

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,696)
3125

>  <Formula> (2,696)
C21H25N7O

>  <MolWeight> (2,696)
391.4695

>  <Item Name> (2,696)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Catalog Number> (2,696)
S8456

>  <Synonyms> (2,696)
N/A

>  <Target> (2,696)
PI3K

>  <Form> (2,696)
Free Base

>  <URL> (2,696)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

>  <CAS Number> (2,696)
1383716-46-8

$$$$
KRIBB11.cdx
csChFnd80/07171813082D

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$$$$
BP-1-102.cdx
csChFnd80/07171813082D

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Free Base

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http://www.selleckchem.com/products/bp-1-102.html

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1334493-07-0

$$$$
PACAP 1-27.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,699)
3128

>  <Formula> (2,699)
C142H224N40O39S

>  <MolWeight> (2,699)
3147.60756

>  <Item Name> (2,699)
PACAP 1-27

>  <Catalog Number> (2,699)
S8414

>  <Synonyms> (2,699)
N/A

>  <Target> (2,699)
cAMP

>  <Form> (2,699)
Free Base

>  <URL> (2,699)
http://www.selleckchem.com/products/pacap-1-27.html

>  <CAS Number> (2,699)
127317-03-7

$$$$
OTS514.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,700)
3129

>  <Formula> (2,700)
C21H21ClN2O2S

>  <MolWeight> (2,700)
400.92164

>  <Item Name> (2,700)
OTS514 hydrochloride

>  <Catalog Number> (2,700)
S7652

>  <Synonyms> (2,700)
N/A

>  <Target> (2,700)
TOPK

>  <Form> (2,700)
hydrochloride

>  <URL> (2,700)
http://www.selleckchem.com/products/ots514.html

>  <CAS Number> (2,700)
1338540-63-8(free base)

$$$$
SAR-020106.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,701)
3130

>  <Formula> (2,701)
C19H19ClN6O

>  <MolWeight> (2,701)
382.84676

>  <Item Name> (2,701)
SAR-020106

>  <Catalog Number> (2,701)
S7740

>  <Synonyms> (2,701)
N/A

>  <Target> (2,701)
Chk

>  <Form> (2,701)
Free Base

>  <URL> (2,701)
http://www.selleckchem.com/products/sar-020106.html

>  <CAS Number> (2,701)
1184843-57-9

$$$$
Importazole.cdx
csChFnd80/07171813082D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,702)
3131

>  <Formula> (2,702)
C20H22N4

>  <MolWeight> (2,702)
318.41548

>  <Item Name> (2,702)
Importazole

>  <Catalog Number> (2,702)
S8446

>  <Synonyms> (2,702)
N/A

>  <Target> (2,702)
Others

>  <Form> (2,702)
Free Base

>  <URL> (2,702)
http://www.selleckchem.com/products/importazole.html

>  <CAS Number> (2,702)
662163-81-7

$$$$
MI-463.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,703)
3132

>  <Formula> (2,703)
C24H23F3N6S

>  <MolWeight> (2,703)
484.5398296

>  <Item Name> (2,703)
MI-463

>  <Catalog Number> (2,703)
S7816

>  <Synonyms> (2,703)
N/A

>  <Target> (2,703)
Histone Methyltransferase

>  <Form> (2,703)
Free Base

>  <URL> (2,703)
http://www.selleckchem.com/products/mi-463.html

>  <CAS Number> (2,703)
1628317-18-9

$$$$
RRx-001.cdx
csChFnd80/07171813082D

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Free Base

>  <URL> (2,707)
http://www.selleckchem.com/products/rebaudioside-c.html

>  <CAS Number> (2,707)
63550-99-2

$$$$
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csChFnd80/07171813082D

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Vogonin

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CDK

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

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632-85-9

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/07171813082D

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UK-371804 HCl

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>  <Synonyms> (2,709)
UK-371804 HCl

>  <Target> (2,709)
Serine Protease

>  <Form> (2,709)
hydrochloride

>  <URL> (2,709)
http://www.selleckchem.com/products/uk-371804-hcl.html

>  <CAS Number> (2,709)
256476-36-5

$$$$
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csChFnd80/07171813082D

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1456632-41-9

$$$$
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M  END
>  <Mol_ID> (2,716)
3145

>  <Formula> (2,716)
C17H19Cl2N7O

>  <MolWeight> (2,716)
408.28506

>  <Item Name> (2,716)
JTE-013

>  <Catalog Number> (2,716)
S7182

>  <Synonyms> (2,716)
N/A

>  <Target> (2,716)
S1P Receptor

>  <Form> (2,716)
Free Base

>  <URL> (2,716)
http://www.selleckchem.com/products/jte-013.html

>  <CAS Number> (2,716)
383150-41-2

$$$$
CC-122.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,717)
3146

>  <Formula> (2,717)
C14H14N4O3

>  <MolWeight> (2,717)
286.28596

>  <Item Name> (2,717)
Avadomide(CC-122)

>  <Catalog Number> (2,717)
S7892

>  <Synonyms> (2,717)
N/A

>  <Target> (2,717)
E3 Ligase

>  <Form> (2,717)
Free Base

>  <URL> (2,717)
http://www.selleckchem.com/products/cc-122.html

>  <CAS Number> (2,717)
1015474-32-4

$$$$
S4750 Sulfacetamide sodium salt hydrate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,718)
3147

>  <Formula> (2,718)
C8H11N2NaO4S

>  <MolWeight> (2,718)
254.23871

>  <Item Name> (2,718)
Sulfacetamide Sodium salt hydrate

>  <Catalog Number> (2,718)
S4750

>  <Synonyms> (2,718)
N/A

>  <Target> (2,718)
Autophagy

>  <Form> (2,718)
sodium salt hyd

>  <URL> (2,718)
http://www.selleckchem.com/products/sulfacetamide-sodium-salt-hydrate.html

>  <CAS Number> (2,718)
6209-17-2

$$$$
S4749 Citalopram HBr.cdx
csChFnd80/07171813082D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,719)
3148

>  <Formula> (2,719)
C20H22BrFN2O

>  <MolWeight> (2,719)
405.3038832

>  <Item Name> (2,719)
Citalopram HBr

>  <Catalog Number> (2,719)
S4749

>  <Synonyms> (2,719)
Nitalapram HBr, Prepram HBr, Bonitrile HBr, Lu 10-171 HBr

>  <Target> (2,719)
5-HT Receptor

>  <Form> (2,719)
hydrobromide

>  <URL> (2,719)
http://www.selleckchem.com/products/citalopram-hbr.html

>  <CAS Number> (2,719)
59729-32-7

$$$$
S4748 Ondansetron HCl.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,720)
3149

>  <Formula> (2,720)
C18H24ClN3O3

>  <MolWeight> (2,720)
365.85446

>  <Item Name> (2,720)
Ondansetron Hydrochloride Dihydrate

>  <Catalog Number> (2,720)
S4748

>  <Synonyms> (2,720)
N/A

>  <Target> (2,720)
5-HT Receptor

>  <Form> (2,720)
hydrochloride

>  <URL> (2,720)
http://www.selleckchem.com/products/ondansetron-hcl.html

>  <CAS Number> (2,720)
103639-04-9

$$$$
S4752 Corticosterone.cdx
csChFnd80/07171813082D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    3.6416    2.1025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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>  <Item Name> (2,721)
Corticosterone

>  <Catalog Number> (2,721)
S4752

>  <Synonyms> (2,721)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (2,721)
Glucocorticoid Receptor

>  <Form> (2,721)
Free Base

>  <URL> (2,721)
http://www.selleckchem.com/products/corticosterone.html

>  <CAS Number> (2,721)
50-22-6

$$$$
S4751 Cisapride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,722)
3151

>  <Formula> (2,722)
C23H31ClFN3O5

>  <MolWeight> (2,722)
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>  <Item Name> (2,722)
Cisapride hydrate

>  <Catalog Number> (2,722)
S4751

>  <Synonyms> (2,722)
Propulsid, Alimix, Propulsin, Enteropride, Kinestase

>  <Target> (2,722)
5-HT Receptor

>  <Form> (2,722)
hydrate

>  <URL> (2,722)
http://www.selleckchem.com/products/cisapride.html

>  <CAS Number> (2,722)
260779-88-2

$$$$
BAY 1217389.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,723)
3152

>  <Formula> (2,723)
C27H24F5N5O3

>  <MolWeight> (2,723)
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>  <Item Name> (2,723)
BAY 1217389

>  <Catalog Number> (2,723)
S8215

>  <Synonyms> (2,723)
N/A

>  <Target> (2,723)
Kinesin

>  <Form> (2,723)
Free Base

>  <URL> (2,723)
http://www.selleckchem.com/products/bay-1217389.html

>  <CAS Number> (2,723)
1554458-53-5

$$$$
Thiomyristoyl.cdx
csChFnd80/07171813082D

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$$$$
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M  END
>  <Mol_ID> (2,728)
3157

>  <Formula> (2,728)
C182H300N56O45S

>  <MolWeight> (2,728)
4024.7426

>  <Item Name> (2,728)
PACAP 6-38

>  <Catalog Number> (2,728)
S8416

>  <Synonyms> (2,728)
N/A

>  <Target> (2,728)
cAMP

>  <Form> (2,728)
Free Base

>  <URL> (2,728)
http://www.selleckchem.com/products/pacap-6-38.html

>  <CAS Number> (2,728)
143748-18-9

$$$$
PACAP 1-38.cdx
csChFnd80/07171813082D

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73069-13-3

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TNF-alpha

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Free Base

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

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Rp-5264

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PI3K

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http://www.selleckchem.com/products/tgr-1202.html

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1532533-67-7

$$$$
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csChFnd80/07171813082D

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HIF

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>  <URL> (2,744)
http://www.selleckchem.com/products/mk-8617.html

>  <CAS Number> (2,744)
1187990-87-9
1187990-87-9
1187990-87-9

$$$$
Imidapril hydrochloride.cdx
csChFnd80/07171813082D

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RAAS

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http://www.selleckchem.com/products/imidapril-tanatril.html

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89396-94-1

$$$$
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csChFnd80/07171813082D

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n
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xI2
M  END
>  <Mol_ID> (2,746)
3177

>  <Formula> (2,746)
C8H15NOR2

>  <MolWeight> (2,746)
141.2108

>  <Item Name> (2,746)
Povidone iodine

>  <Catalog Number> (2,746)
S4678

>  <Synonyms> (2,746)
Betadine, PVP iodine, PVP-I, Isodine

>  <Target> (2,746)
Antifection

>  <Form> (2,746)
iodine

>  <URL> (2,746)
http://www.selleckchem.com/products/povidone-iodine.html

>  <CAS Number> (2,746)
25655-41-8

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,747)
3178

>  <Formula> (2,747)
C26H31ClN6O2

>  <MolWeight> (2,747)
495.01634

>  <Item Name> (2,747)
Nazartinib (EGF816, NVS-816)

>  <Catalog Number> (2,747)
S7824

>  <Synonyms> (2,747)
N/A

>  <Target> (2,747)
EGFR

>  <Form> (2,747)
Free Base

>  <URL> (2,747)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

>  <CAS Number> (2,747)
1508250-71-2

$$$$
B02.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,748)
3179

>  <Formula> (2,748)
C22H17N3O

>  <MolWeight> (2,748)
339.38988

>  <Item Name> (2,748)
B02

>  <Catalog Number> (2,748)
S8434

>  <Synonyms> (2,748)
N/A

>  <Target> (2,748)
DNA/RNA Synthesis

>  <Form> (2,748)
Free Base

>  <URL> (2,748)
http://www.selleckchem.com/products/b02.html

>  <CAS Number> (2,748)
1290541-46-6

$$$$
OTS964.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,749)
3180

>  <Formula> (2,749)
C23H26Cl2N2O2S

>  <MolWeight> (2,749)
465.43574

>  <Item Name> (2,749)
OTS964

>  <Catalog Number> (2,749)
S7648

>  <Synonyms> (2,749)
N/A

>  <Target> (2,749)
Others

>  <Form> (2,749)
dihydrochloride

>  <URL> (2,749)
http://www.selleckchem.com/products/ots964.html

>  <CAS Number> (2,749)
1338545-07-5(HCl salt)

$$$$
CC-930.cdx
csChFnd80/07171813082D

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Sirtuin activator

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hydrochloride

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2070015-26-6

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2083627-02-3

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Dimaleate

>  <URL> (2,762)
http://www.selleckchem.com/products/azatadine-dimaleate.html

>  <CAS Number> (2,762)
3978-86-7

$$$$
PRT-060318 (PRT318).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,763)
3194

>  <Formula> (2,763)
C18H26Cl2N6O

>  <MolWeight> (2,763)
413.34464

>  <Item Name> (2,763)
PRT-060318 (PRT318)

>  <Catalog Number> (2,763)
S7738

>  <Synonyms> (2,763)
PRT318

>  <Target> (2,763)
Syk

>  <Form> (2,763)
hydrochloride salt

>  <URL> (2,763)
http://www.selleckchem.com/products/prt-060318-prt318-3hcl.html

>  <CAS Number> (2,763)
1194961-19-7 (free base)

$$$$
BIX01294 3HCl.cdx
csChFnd80/07171813082D

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>  <Formula> (2,764)
C28H41Cl3N6O2

>  <MolWeight> (2,764)
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>  <Item Name> (2,764)
BIX 01294

>  <Catalog Number> (2,764)
S8006

>  <Synonyms> (2,764)
N/A

>  <Target> (2,764)
Histone Methyltransferase

>  <Form> (2,764)
trihydrochloride

>  <URL> (2,764)
http://www.selleckchem.com/products/bix-01294.html

>  <CAS Number> (2,764)
1392399-03-9

$$$$
S1499 Cefaclor.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,765)
3196

>  <Formula> (2,765)
C15H16ClN3O5S

>  <MolWeight> (2,765)
385.82264

>  <Item Name> (2,765)
Cefaclor

>  <Catalog Number> (2,765)
S1499

>  <Synonyms> (2,765)
Cefachlor, Cefaclorum

>  <Target> (2,765)
Antifection

>  <Form> (2,765)
monohydrate

>  <URL> (2,765)
http://www.selleckchem.com/products/Cefaclor-(Ceclor).html

>  <CAS Number> (2,765)
70356-03-5

$$$$
CFI-400945.cdx
csChFnd80/07171813082D

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trifluoroacetate

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1043444-18-3

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Epigenetic Reader Domain

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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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1943733-16-1

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TRPV

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http://www.selleckchem.com/products/gsk2193874.html

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1336960-13-4

$$$$
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>  <Item Name> (2,772)
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>  <Synonyms> (2,772)
D-Ala-peptide T-amide, peptide T

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gp120 Bal-CCR5,CM235-CCR5

>  <Form> (2,772)
free base

>  <URL> (2,772)
http://www.selleckchem.com/products/dapta.html

>  <CAS Number> (2,772)
106362-34-9

$$$$
SHP099.cdx
csChFnd80/07171813082D

 25 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,773)
3206

>  <Formula> (2,773)
C16H21Cl4N5

>  <MolWeight> (2,773)
425.18344

>  <Item Name> (2,773)
SHP099 dihydrochloride

>  <Catalog Number> (2,773)
S8278

>  <Synonyms> (2,773)
N/A

>  <Target> (2,773)
SHP-2

>  <Form> (2,773)
Dihydrochloride 

>  <URL> (2,773)
http://www.selleckchem.com/products/shp099-dihydrochloride.html

>  <CAS Number> (2,773)
1801747-42-1(free base)

$$$$
VLX1570.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,774)
3207

>  <Formula> (2,774)
C23H17F2N3O6

>  <MolWeight> (2,774)
469.3943864

>  <Item Name> (2,774)
VLX1570

>  <Catalog Number> (2,774)
S8288

>  <Synonyms> (2,774)
N/A

>  <Target> (2,774)
DUB

>  <Form> (2,774)
free base

>  <URL> (2,774)
http://www.selleckchem.com/products/vlx1570.html

>  <CAS Number> (2,774)
1431280-51-1

$$$$
S4753  Ganoderic acid A.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,775)
3208

>  <Formula> (2,775)
C30H44O7

>  <MolWeight> (2,775)
516.66616

>  <Item Name> (2,775)
Ganoderic acid A

>  <Catalog Number> (2,775)
S4753

>  <Synonyms> (2,775)
N/A

>  <Target> (2,775)
others

>  <Form> (2,775)
free base

>  <URL> (2,775)
http://www.selleckchem.com/products/ganoderic-acid-a.html

>  <CAS Number> (2,775)
81907-62-2

$$$$
SAR405.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,776)
3209

>  <Formula> (2,776)
C19H21ClF3N5O2

>  <MolWeight> (2,776)
443.8505496

>  <Item Name> (2,776)
SAR405

>  <Catalog Number> (2,776)
S7682

>  <Synonyms> (2,776)
N/A

>  <Target> (2,776)
Vps34 

>  <Form> (2,776)
free base

>  <URL> (2,776)
http://www.selleckchem.com/products/sar405.html

>  <CAS Number> (2,776)
1523406-39-4

$$$$
KPT-8602.cdx
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>  <URL> (2,778)
http://www.selleckchem.com/products/compstatin.html

>  <CAS Number> (2,778)
206645-99-0

$$$$
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>  <URL> (2,779)
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733030-01-8

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$$$$
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dihydrochloride

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1234015-54-3

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SUV420H1,SUV420H2

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free base

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http://www.selleckchem.com/products/a-196.html

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1982372-88-2

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

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  4 17  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 23  1  1  0  0  0
M  END
>  <Mol_ID> (2,789)
3223

>  <Formula> (2,789)
C19H24N2O2

>  <MolWeight> (2,789)
312.40606

>  <Item Name> (2,789)
SGC2085

>  <Catalog Number> (2,789)
S8340

>  <Synonyms> (2,789)
N/A

>  <Target> (2,789)
CARM1

>  <Form> (2,789)
free base

>  <URL> (2,789)
http://www.selleckchem.com/products/sgc2085.html

>  <CAS Number> (2,789)
1821908-48-8

$$$$
AUNP-12.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,790)
3224

>  <Formula> (2,790)
C142H226N40O48

>  <MolWeight> (2,790)
3261.55304

>  <Item Name> (2,790)
AUNP-12

>  <Catalog Number> (2,790)
S8549

>  <Synonyms> (2,790)
Aur-012, Aurigene-012, Aurigene NP-12

>  <Target> (2,790)
PD-1

>  <URL> (2,790)
http://www.selleckchem.com/products/aunp-12.html

>  <CAS Number> (2,790)
1353563-85-5

$$$$
Lixisenatide.cdx
csChFnd80/07171813082D

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>  <CAS Number> (2,799)
1123837-84-2

$$$$
Tirofiban Hydrochloride.cdx
csChFnd80/07171813082D

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3235

>  <Formula> (2,800)
C22H39ClN2O6S

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>  <Item Name> (2,800)
Tirofiban Hydrochloride

>  <Catalog Number> (2,800)
S8594

>  <Synonyms> (2,800)
MK-383 Hydrochloride

>  <Target> (2,800)
GPIIb/IIIa

>  <Form> (2,800)
hydrochloride hydrate

>  <URL> (2,800)
http://www.selleckchem.com/products/tirofiban-hydrochlorid.html

>  <CAS Number> (2,800)
150915-40-5

$$$$
3BDO.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,801)
3236

>  <Formula> (2,801)
C18H17NO5

>  <MolWeight> (2,801)
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>  <Item Name> (2,801)
3BDO

>  <Catalog Number> (2,801)
S8317

>  <Synonyms> (2,801)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (2,801)
FKBP1A

>  <Form> (2,801)
free base

>  <URL> (2,801)
http://www.selleckchem.com/products/3bdo.html

>  <CAS Number> (2,801)
890405-51-3

$$$$
NS-187.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,802)
3237

>  <Formula> (2,802)
C30H31F3N8O

>  <MolWeight> (2,802)
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>  <Item Name> (2,802)
Bafetinib (INNO-406)

>  <Catalog Number> (2,802)
S1369

>  <Synonyms> (2,802)
NS-187

>  <Target> (2,802)
Abl,Lyn

>  <Form> (2,802)
Free Base

>  <URL> (2,802)
http://www.selleckchem.com/products/Bafetinib.html

>  <CAS Number> (2,802)
859212-16-1

$$$$
A-317491.cdx
csChFnd80/07171813082D

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PI3K¦Ã

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1693758-51-8

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1693758-51-8

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Syk,FLT3,ZAP-70,JAK3,VEGFR2

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hydrochloride 

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1952251-28-3

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K-Ras(G12D)

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$$$$
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N/A

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PI3K¦Á 

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Free base

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http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

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1268454-23-4

$$$$
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C10H7NO3

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¦Á-cyano-4-hydroxycinnamic acid(¦Á-CHCA)

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MCT

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free base

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28166-41-8

$$$$
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csChFnd80/07171813082D

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bichloroacetic acid, BCA

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PDK

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sodium salt

>  <URL> (2,823)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

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2156-56-1

$$$$
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csChFnd80/07171813082D

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>  <Formula> (2,824)
C33H44FN5O3

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Belizatinib (TSR-011)

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free base

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>  <CAS Number> (2,824)
1357920-84-3

$$$$
HJC0152.cdx
csChFnd80/07171813082D

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>  <Formula> (2,825)
C15H14Cl3N3O4

>  <MolWeight> (2,825)
406.64836

>  <Item Name> (2,825)
HJC0152

>  <Catalog Number> (2,825)
S8561

>  <Synonyms> (2,825)
N/A

>  <Target> (2,825)
STAT3

>  <Form> (2,825)
hydrochloride

>  <URL> (2,825)
http://www.selleckchem.com/products/hjc0152.html

>  <CAS Number> (2,825)
1420290-99-8

$$$$
Autophinib.cdx
csChFnd80/07171813082D

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3262

>  <Formula> (2,826)
C14H11ClN6O3

>  <MolWeight> (2,826)
346.72854

>  <Item Name> (2,826)
Autophinib

>  <Catalog Number> (2,826)
S8596

>  <Synonyms> (2,826)
N/A

>  <Target> (2,826)
autophagy

>  <Form> (2,826)
free base

>  <URL> (2,826)
http://www.selleckchem.com/products/autophinib.html

>  <CAS Number> (2,826)
1644443-47-9

$$$$
FIN56.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,827)
3263

>  <Formula> (2,827)
C25H31N3O5S2

>  <MolWeight> (2,827)
517.66074

>  <Item Name> (2,827)
FIN56

>  <Catalog Number> (2,827)
S8254

>  <Synonyms> (2,827)
N/A

>  <Target> (2,827)
squalene synthase,ferroptosis

>  <Form> (2,827)
free base

>  <URL> (2,827)
http://www.selleckchem.com/products/fin56.html

>  <CAS Number> (2,827)
1083162-61-1

$$$$
BGB-283.cdx
csChFnd80/07171813082D

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3264

>  <Formula> (2,828)
C25H17F3N4O3

>  <MolWeight> (2,828)
478.4226896

>  <Item Name> (2,828)
Lifirafenib (BGB-283)

>  <Catalog Number> (2,828)
S7926

>  <Synonyms> (2,828)
Beigene-283

>  <Target> (2,828)
RAF,EGFR

>  <Form> (2,828)
free base

>  <URL> (2,828)
http://www.selleckchem.com/products/bgb-283-bgb283.html

>  <CAS Number> (2,828)
1446090-79-4

$$$$
LW 6.cdx
csChFnd80/07171813082D

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$$$$
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FLT3,Axl 

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1254053-43-4

$$$$
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csChFnd80/07171813082D

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1916571-90-8

$$$$
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743420-02-2

$$$$
Azoramide.cdx
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http://www.selleckchem.com/products/pf-06726304.html

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1616287-82-1

$$$$
R-IMPP.cdx
csChFnd80/07171813082D

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PCSK9 

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no cas

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Autophagy

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http://www.selleckchem.com/products/roc-325.html

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1859141-26-6

$$$$
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csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,845)
3283

>  <Formula> (2,845)
C22H27N7O2S

>  <MolWeight> (2,845)
453.56048

>  <Item Name> (2,845)
LY3214996

>  <Catalog Number> (2,845)
S8534

>  <Synonyms> (2,845)
N/A

>  <Target> (2,845)
ERK1,ERK2

>  <Form> (2,845)
free base

>  <URL> (2,845)
http://www.selleckchem.com/products/ly3214996.html

>  <CAS Number> (2,845)
1951483-29-6

$$$$
S3608 Demethylzeylasteral.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,846)
3284

>  <Formula> (2,846)
C29H36O6

>  <MolWeight> (2,846)
480.59254

>  <Item Name> (2,846)
Demethylzeylasteral (T-96)

>  <Catalog Number> (2,846)
S3608

>  <Synonyms> (2,846)
N/A

>  <Target> (2,846)
UGT1A6,UGT2B7

>  <Form> (2,846)
free base

>  <URL> (2,846)
http://www.selleckchem.com/products/demethylzeylasteral-t-96.html

>  <CAS Number> (2,846)
107316-88-1

$$$$
S4757 Dihydrotestosterone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,847)
3285

>  <Formula> (2,847)
C19H30O2

>  <MolWeight> (2,847)
290.4403

>  <Item Name> (2,847)
Dihydrotestosterone (DHT)

>  <Catalog Number> (2,847)
S4757

>  <Synonyms> (2,847)
androstanolone, stanolone, 5¦Á-DHT

>  <Target> (2,847)
androgen receptor

>  <Form> (2,847)
free base

>  <URL> (2,847)
http://www.selleckchem.com/products/dihydrotestosterone.html

>  <CAS Number> (2,847)
521-18-6

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,848)
3286

>  <Formula> (2,848)
C37H42Cl2N2O6

>  <MolWeight> (2,848)
681.64518

>  <Item Name> (2,848)
Berbamine (dihydrochloride)

>  <Catalog Number> (2,848)
S3609

>  <Synonyms> (2,848)
N/A

>  <Target> (2,848)
NF-¦ÊB,bcr/abl

>  <Form> (2,848)
dihydrochloride

>  <URL> (2,848)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

>  <CAS Number> (2,848)
6078-17-7

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,849)
3287

>  <Formula> (2,849)
C18H16O8

>  <MolWeight> (2,849)
360.31484

>  <Item Name> (2,849)
Rosmarinic acid

>  <Catalog Number> (2,849)
S3612

>  <Synonyms> (2,849)
Rosemary acid

>  <Target> (2,849)
IKK ¦Â

>  <Form> (2,849)
free base

>  <URL> (2,849)
http://www.selleckchem.com/products/rosmarinic-acid.html

>  <CAS Number> (2,849)
20283-92-5

$$$$
S3618 Acetylspiramycin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,850)
3288

>  <Formula> (2,850)
C45H76N2O15

>  <MolWeight> (2,850)
885.08934

>  <Item Name> (2,850)
Acetylspiramycin (ASPM)

>  <Catalog Number> (2,850)
S3618

>  <Synonyms> (2,850)
Spiramycin II, Foromacidin B

>  <Target> (2,850)
Others

>  <Form> (2,850)
free base

>  <URL> (2,850)
http://www.selleckchem.com/products/acetylspiramycin.html

>  <CAS Number> (2,850)
24916-51-6

$$$$
CP2.cdx
csChFnd80/07171813082D

143150  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,851)
3289

>  <Formula> (2,851)
C92H120N24O26S

>  <MolWeight> (2,851)
2010.1474

>  <Item Name> (2,851)
CP2

>  <Catalog Number> (2,851)
S8601

>  <Synonyms> (2,851)
N/A

>  <Target> (2,851)
KDM4C,KDM4A

>  <Form> (2,851)
free base

>  <URL> (2,851)
http://www.selleckchem.com/products/cp2.html

>  <CAS Number> (2,851)
No

$$$$
S3605 Borneol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,852)
3290

>  <Formula> (2,852)
C10H18O

>  <MolWeight> (2,852)
154.24932

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Borneol

>  <Catalog Number> (2,852)
S3605

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N/A

>  <Target> (2,852)
TRPM8

>  <Form> (2,852)
free base

>  <URL> (2,852)
http://www.selleckchem.com/products/borneol.html

>  <CAS Number> (2,852)
507-70-0

$$$$
S3619 Citicoline sodium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,853)
3292

>  <Formula> (2,853)
C14H25N4NaO11P2

>  <MolWeight> (2,853)
510.305792

>  <Item Name> (2,853)
Citicoline sodium

>  <Catalog Number> (2,853)
S3619

>  <Synonyms> (2,853)
CDP-choline

>  <Target> (2,853)
Others

>  <Form> (2,853)
sodium salt

>  <URL> (2,853)
http://www.selleckchem.com/products/citicoline-sodium.html

>  <CAS Number> (2,853)
33818-15-4

$$$$
S3606 Fangchinoline.cdx
csChFnd80/07171813082D

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 29 35  1  0  0  0  0
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M  END
>  <Mol_ID> (2,854)
3293

>  <Formula> (2,854)
C37H40N2O6

>  <MolWeight> (2,854)
608.7233

>  <Item Name> (2,854)
Fangchinoline

>  <Catalog Number> (2,854)
S3606

>  <Synonyms> (2,854)
N/A

>  <Target> (2,854)
HIV-1

>  <Form> (2,854)
free base

>  <URL> (2,854)
http://www.selleckchem.com/products/fangchinoline.html

>  <CAS Number> (2,854)
33889-68-8

$$$$
S3691 4-Chlorosalicylic acid.cdx
csChFnd80/07171813082D

 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
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    4.8522    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  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
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,855)
3294

>  <Formula> (2,855)
C7H5ClO3

>  <MolWeight> (2,855)
172.5658

>  <Item Name> (2,855)
4-Chloro-2-hydroxybenzoic acid

>  <Catalog Number> (2,855)
S3691

>  <Synonyms> (2,855)
4-chloro salicylic acid

>  <Target> (2,855)
Others

>  <Form> (2,855)
free base

>  <URL> (2,855)
http://www.selleckchem.com/products/4-chlorosalicylic-acid.html

>  <CAS Number> (2,855)
5106-98-9

$$$$
S3692 N-Ethylmaleimide.cdx
csChFnd80/07171813082D

  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
  3  7  1  0  0  0  0
  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> (2,856)
3295

>  <Formula> (2,856)
C6H7NO2

>  <MolWeight> (2,856)
125.12528

>  <Item Name> (2,856)
N-Ethylmaleimide (NEM)

>  <Catalog Number> (2,856)
S3692

>  <Synonyms> (2,856)
N/A

>  <Target> (2,856)
cysteine peptidases

>  <Form> (2,856)
free base

>  <URL> (2,856)
http://www.selleckchem.com/products/n-ethylmaleimide-nem.html

>  <CAS Number> (2,856)
128-53-0

$$$$
S3696 PTP Inhibitor I.cdx
csChFnd80/07171813082D

 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
    7.2468    2.8061    0.0000 Br  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  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  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> (2,857)
3296

>  <Formula> (2,857)
C8H7BrO2

>  <MolWeight> (2,857)
215.04398

>  <Item Name> (2,857)
PTP Inhibitor I

>  <Catalog Number> (2,857)
S3696

>  <Synonyms> (2,857)
¦Á-Bromo-4-hydroxyacetophenone,SHP-1 Inhibitor II

>  <Target> (2,857)
protein tyrosine phosphatase

>  <Form> (2,857)
free base

>  <URL> (2,857)
http://www.selleckchem.com/products/ptp-inhibitor-i.html

>  <CAS Number> (2,857)
2491-38-5

$$$$
S3697 Mafenide hydrochloride.cdx
csChFnd80/07171813082D

 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
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  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> (2,858)
3297

>  <Formula> (2,858)
C7H11ClN2O2S

>  <MolWeight> (2,858)
222.69244

>  <Item Name> (2,858)
Mafenide hydrochloride

>  <Catalog Number> (2,858)
S3697

>  <Synonyms> (2,858)
4-Aminomethylbenzenesulfonamide hydrochloride

>  <Target> (2,858)
carbonic anhydrase

>  <Form> (2,858)
hydrochloride

>  <URL> (2,858)
http://www.selleckchem.com/products/mafenide-hydrochloride.html

>  <CAS Number> (2,858)
138-37-4

$$$$
S3698 Nortriptyline (hydrochloride).cdx
csChFnd80/07171813082D

 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
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  8 15  2  0  0  0  0
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 10 13  1  0  0  0  0
 11 17  2  0  0  0  0
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 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> (2,859)
3298

>  <Formula> (2,859)
C19H22ClN

>  <MolWeight> (2,859)
299.83768

>  <Item Name> (2,859)
Nortriptyline hydrochloride

>  <Catalog Number> (2,859)
S3698

>  <Synonyms> (2,859)
ELF-101 hydrochloride, EN-7048 hydrochloride, Desmethylamitriptyline hydrochloride

>  <Target> (2,859)
Kv channels

>  <Form> (2,859)
hydrochloride

>  <URL> (2,859)
http://www.selleckchem.com/products/nortriptyline-hydrochloride.html

>  <CAS Number> (2,859)
894-71-3

$$$$
S3700 DHBP (dibromide).cdx
csChFnd80/07171813082D

 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
    4.8497    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2432    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6681    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8805    4.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
 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
 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
 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> (2,860)
3299

>  <Formula> (2,860)
C24H38Br2N2

>  <MolWeight> (2,860)
514.37992

>  <Item Name> (2,860)
DHBP dibromide

>  <Catalog Number> (2,860)
S3700

>  <Synonyms> (2,860)
1,1'-diheptyl-4,4'-bipyridinium dibromide

>  <Target> (2,860)
Others

>  <Form> (2,860)
dibromide

>  <URL> (2,860)
http://www.selleckchem.com/products/dhbp-dibromide.html

>  <CAS Number> (2,860)
6159-05-3

$$$$
S3701 Benactyzine hydrochloride.cdx
csChFnd80/07171813082D

 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
    4.8410    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    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  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  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
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 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  2  1  0  0  0  0
  3 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  3  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,861)
3300

>  <Formula> (2,861)
C20H26ClNO3

>  <MolWeight> (2,861)
363.87834

>  <Item Name> (2,861)
Benactyzine hydrochloride

>  <Catalog Number> (2,861)
S3701

>  <Synonyms> (2,861)
N/A

>  <Target> (2,861)
AChR

>  <Form> (2,861)
hydrochloride

>  <URL> (2,861)
http://www.selleckchem.com/products/benactyzine-hydrochloride.html

>  <CAS Number> (2,861)
57-37-4

$$$$
S3687 Urea.cdx
csChFnd80/07171813082D

  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> (2,862)
3301

>  <Formula> (2,862)
CH4N2O

>  <MolWeight> (2,862)
60.05526

>  <Item Name> (2,862)
Urea

>  <Catalog Number> (2,862)
S3687

>  <Synonyms> (2,862)
Carbamide, Carbonyldiamide, Ureophil

>  <Target> (2,862)
Others

>  <Form> (2,862)
free base

>  <URL> (2,862)
http://www.selleckchem.com/products/urea.html

>  <CAS Number> (2,862)
57-13-6

$$$$
S3703 Phenethyl alcohol.cdx
csChFnd80/07171813082D

  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> (2,863)
3302

>  <Formula> (2,863)
C8H10O

>  <MolWeight> (2,863)
122.1644

>  <Item Name> (2,863)
Phenethyl alcohol

>  <Catalog Number> (2,863)
S3703

>  <Synonyms> (2,863)
2-phenylethanol, 2-Phenylethyl alcohol, Benzeneethanol, Phenylethanol

>  <Target> (2,863)
Others

>  <Form> (2,863)
free base

>  <URL> (2,863)
http://www.selleckchem.com/products/phenethyl-alcohol.html

>  <CAS Number> (2,863)
60-12-8

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/07171813082D

  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
    1.2319    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    4.2223    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
M  END
>  <Mol_ID> (2,864)
3303

>  <Formula> (2,864)
C4H7NO2

>  <MolWeight> (2,864)
101.10388

>  <Item Name> (2,864)
2,3-Butanedione-2-monoxime

>  <Catalog Number> (2,864)
S3699

>  <Synonyms> (2,864)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (2,864)
skeletal muscle myosin-II

>  <Form> (2,864)
free base

>  <URL> (2,864)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

>  <CAS Number> (2,864)
57-71-6

$$$$
S3634 6-Hydroxyflavone.cdx
csChFnd80/07171813082D

 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
    4.8360    2.1116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4112    2.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    4.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0498    2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015    2.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0566    4.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2580    2.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2513    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4610    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6815    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6761    0.6953    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
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,865)
3304

>  <Formula> (2,865)
C15H10O3

>  <MolWeight> (2,865)
238.2381

>  <Item Name> (2,865)
6-Hydroxyflavone (6-HF)

>  <Catalog Number> (2,865)
S3634

>  <Synonyms> (2,865)
N/A

>  <Target> (2,865)
GABAA receptors

>  <Form> (2,865)
free base

>  <URL> (2,865)
http://www.selleckchem.com/products/6-hydroxyflavone-6-hf.html

>  <CAS Number> (2,865)
6665-83-4

$$$$
CPI-444.cdx
csChFnd80/07171813082D

 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
    5.9521    8.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (2,866)
3305

>  <Formula> (2,866)
C16H12FN5O

>  <MolWeight> (2,866)
309.2977832

>  <Item Name> (2,866)
A2AR antagonist 1

>  <Catalog Number> (2,866)
S8575

>  <Synonyms> (2,866)
N/A

>  <Target> (2,866)
A2AR,A1R

>  <Form> (2,866)
free base

>  <URL> (2,866)
http://www.selleckchem.com/products/a2ar-antagonist-1.html

>  <CAS Number> (2,866)
443103-97-7

$$$$
S3616 Asiaticoside.cdx
csChFnd80/07171813082D

 70 77  0  0  0  0  0  0  0  0999 V2000
   11.8879   14.3792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   15.0858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8879   13.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1895   13.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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3306

>  <Formula> (2,867)
C48H78O19

>  <MolWeight> (2,867)
959.12152

>  <Item Name> (2,867)
Asiaticoside

>  <Catalog Number> (2,867)
S3616

>  <Synonyms> (2,867)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (2,867)
Others

>  <Form> (2,867)
free base

>  <URL> (2,867)
http://www.selleckchem.com/products/asiaticoside.html

>  <CAS Number> (2,867)
16830-15-2

$$$$
S3617 (20S)-Protopanaxatriol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,868)
3307

>  <Formula> (2,868)
C30H52O4

>  <MolWeight> (2,868)
476.73148

>  <Item Name> (2,868)
(20S)-Protopanaxatriol

>  <Catalog Number> (2,868)
S3617

>  <Synonyms> (2,868)
g-PPT, 20(S)-APPT

>  <Target> (2,868)
GR,ER

>  <Form> (2,868)
free base

>  <URL> (2,868)
http://www.selleckchem.com/products/20s-protopanaxatriol.html

>  <CAS Number> (2,868)
34080-08-5

$$$$
S3631 (S)-Methylisothiourea sulfate.cdx
csChFnd80/07171813082D

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A    6
?0.5H2SO4?
M  END
>  <Mol_ID> (2,869)
3308

>  <Formula> (2,869)
C2H6N2RS

>  <MolWeight> (2,869)
90.14744

>  <Item Name> (2,869)
(S)-Methylisothiourea sulfate

>  <Catalog Number> (2,869)
S3631

>  <Synonyms> (2,869)
N/A

>  <Target> (2,869)
iNOS

>  <Form> (2,869)
sulfate

>  <URL> (2,869)
http://www.selleckchem.com/products/s-methylisothiourea-sulfate.html

>  <CAS Number> (2,869)
867-44-7

$$$$
S3632 Trichloroisocyanuric acid.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,870)
3309

>  <Formula> (2,870)
C3Cl3N3O3

>  <MolWeight> (2,870)
232.4094

>  <Item Name> (2,870)
Trichloroisocyanuric acid

>  <Catalog Number> (2,870)
S3632

>  <Synonyms> (2,870)
N/A

>  <Target> (2,870)
Others

>  <Form> (2,870)
free base

>  <URL> (2,870)
http://www.selleckchem.com/products/trichloroisocyanuric-acid.html

>  <CAS Number> (2,870)
87-90-1

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,871)
3310

>  <Formula> (2,871)
C5H12N2S2

>  <MolWeight> (2,871)
164.29218

>  <Item Name> (2,871)
Pyrrolidinedithiocarbamate ammonium

>  <Catalog Number> (2,871)
S3633

>  <Synonyms> (2,871)
APDC, PDTC

>  <Target> (2,871)
NF-¦ÊB

>  <Form> (2,871)
ammonium salt

>  <URL> (2,871)
http://www.selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

>  <CAS Number> (2,871)
5108-96-3

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,872)
3311

>  <Formula> (2,872)
C42H68N2O16

>  <MolWeight> (2,872)
856.99312

>  <Item Name> (2,872)
Diammonium Glycyrrhizinate

>  <Catalog Number> (2,872)
S3622

>  <Synonyms> (2,872)
N/A

>  <Target> (2,872)
Others

>  <Form> (2,872)
ammonium salt 

>  <URL> (2,872)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

>  <CAS Number> (2,872)
79165-06-3

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/07171813082D

 47 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,873)
3313

>  <Formula> (2,873)
C37H40N2O6

>  <MolWeight> (2,873)
608.7233

>  <Item Name> (2,873)
(+)-Fangchinoline

>  <Catalog Number> (2,873)
S3611

>  <Synonyms> (2,873)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (2,873)
Others

>  <Form> (2,873)
free base

>  <URL> (2,873)
http://www.selleckchem.com/products/s-s-fangchinoline.html

>  <CAS Number> (2,873)
436-77-1

$$$$
S3613 Scoparone.cdx
csChFnd80/07171813082D

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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  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,874)
3314

>  <Formula> (2,874)
C11H10O4

>  <MolWeight> (2,874)
206.1947

>  <Item Name> (2,874)
Scoparone

>  <Catalog Number> (2,874)
S3613

>  <Synonyms> (2,874)
6,7-dimethoxycoumarin, Aesculetin dimethyl ether, 6,7-Dimethylesculetin, Escoparone

>  <Target> (2,874)
Others

>  <Form> (2,874)
free base

>  <URL> (2,874)
http://www.selleckchem.com/products/scoparone.html

>  <CAS Number> (2,874)
120-08-1

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/07171813082D

 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
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  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> (2,875)
3315

>  <Formula> (2,875)
C15H18O2

>  <MolWeight> (2,875)
230.30222

>  <Item Name> (2,875)
Dehydrocostus Lactone

>  <Catalog Number> (2,875)
S3615

>  <Synonyms> (2,875)
N/A

>  <Target> (2,875)
 IKK¦Â

>  <Form> (2,875)
free base

>  <URL> (2,875)
http://www.selleckchem.com/products/dehydrocostus-lactone.html

>  <CAS Number> (2,875)
477-43-0

$$$$
S3629 Syringic acid.cdx
csChFnd80/07171813082D

 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> (2,876)
3316

>  <Formula> (2,876)
C9H10O5

>  <MolWeight> (2,876)
198.1727

>  <Item Name> (2,876)
Syringic acid

>  <Catalog Number> (2,876)
S3629

>  <Synonyms> (2,876)
3,5-dimethyl ether Gallic Acid, 3,5-dimethoxy-4-hydroxy Benzoic Acid, NSC 2129, SYRA

>  <Target> (2,876)
Others

>  <Form> (2,876)
free base

>  <URL> (2,876)
http://www.selleckchem.com/products/syringic-acid.html

>  <CAS Number> (2,876)
530-57-4

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/07171813082D

 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> (2,877)
3317

>  <Formula> (2,877)
C9H10O4

>  <MolWeight> (2,877)
182.1733

>  <Item Name> (2,877)
Methyl Vanillate

>  <Catalog Number> (2,877)
S3630

>  <Synonyms> (2,877)
N/A

>  <Target> (2,877)
Wnt/¦Â-Catenin

>  <Form> (2,877)
free base

>  <URL> (2,877)
http://www.selleckchem.com/products/methyl-vanillate.html

>  <CAS Number> (2,877)
3943-74-6

$$$$
ACSS2 inhibitor.cdx
csChFnd80/07171813082D

 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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   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
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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
  1  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  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 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
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 22 23  2  0  0  0  0
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 27 28  1  0  0  0  0
 28 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,878)
3318

>  <Formula> (2,878)
C20H18N4O2S2

>  <MolWeight> (2,878)
410.51252

>  <Item Name> (2,878)
ACSS2 inhibitor

>  <Catalog Number> (2,878)
S8588

>  <Synonyms> (2,878)
N/A

>  <Target> (2,878)
ACSS2

>  <Form> (2,878)
free base

>  <URL> (2,878)
http://www.selleckchem.com/products/acss2-inhibitor.html

>  <CAS Number> (2,878)
508186-14-9

$$$$
S3610 Cordycepin.cdx
csChFnd80/07171813082D

 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
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    0.1498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 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> (2,879)
3319

>  <Formula> (2,879)
C10H13N5O3

>  <MolWeight> (2,879)
251.24192

>  <Item Name> (2,879)
Cordycepin

>  <Catalog Number> (2,879)
S3610

>  <Synonyms> (2,879)
N/A

>  <Target> (2,879)
Others

>  <Form> (2,879)
free base

>  <URL> (2,879)
http://www.selleckchem.com/products/cordycepin.html

>  <CAS Number> (2,879)
73-03-0

$$$$
S3621 Pazufloxacin (mesylate).cdx
csChFnd80/07171813082D

 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
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    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
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    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> (2,880)
3320

>  <Formula> (2,880)
C17H19FN2O7S

>  <MolWeight> (2,880)
414.4053632

>  <Item Name> (2,880)
Pazufloxacin mesylate

>  <Catalog Number> (2,880)
S3621

>  <Synonyms> (2,880)
T-3762, Pazucross

>  <Target> (2,880)
Antifection

>  <Form> (2,880)
methanesulfonate

>  <URL> (2,880)
http://www.selleckchem.com/products/pazufloxacin-mesylate.html

>  <CAS Number> (2,880)
163680-77-1

$$$$
S3624 Quinolinic acid.cdx
csChFnd80/07171813082D

 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> (2,881)
3321

>  <Formula> (2,881)
C7H5NO4

>  <MolWeight> (2,881)
167.1189

>  <Item Name> (2,881)
Quinolinic acid

>  <Catalog Number> (2,881)
S3624

>  <Synonyms> (2,881)
pyridine-2,3-dicarboxylic acid, QUIN

>  <Target> (2,881)
NMDAR

>  <Form> (2,881)
free base

>  <URL> (2,881)
http://www.selleckchem.com/products/quinolinic-acid.html

>  <CAS Number> (2,881)
89-00-9

$$$$
S3625 Tyramine.cdx
csChFnd80/07171813082D

 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> (2,882)
3322

>  <Formula> (2,882)
C8H11NO

>  <MolWeight> (2,882)
137.17904

>  <Item Name> (2,882)
Tyramine

>  <Catalog Number> (2,882)
S3625

>  <Synonyms> (2,882)
4-hydroxyphenethylamine, para-tyramine, mydrial, uteramin

>  <Target> (2,882)
Others

>  <Form> (2,882)
free base

>  <URL> (2,882)
http://www.selleckchem.com/products/tyramine.html

>  <CAS Number> (2,882)
51-67-2

$$$$
S3626 Sesamol.cdx
csChFnd80/07171813082D

 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> (2,883)
3323

>  <Formula> (2,883)
C7H6O3

>  <MolWeight> (2,883)
138.12074

>  <Item Name> (2,883)
Sesamol

>  <Catalog Number> (2,883)
S3626

>  <Synonyms> (2,883)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (2,883)
Others

>  <Form> (2,883)
free base

>  <URL> (2,883)
http://www.selleckchem.com/products/sesamol.html

>  <CAS Number> (2,883)
533-31-3

$$$$
S3627 Tryptamine.cdx
csChFnd80/07171813082D

 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> (2,884)
3324

>  <Formula> (2,884)
C10H12N2

>  <MolWeight> (2,884)
160.21568

>  <Item Name> (2,884)
Tryptamine

>  <Catalog Number> (2,884)
S3627

>  <Synonyms> (2,884)
N/A

>  <Target> (2,884)
5-HT receptor

>  <Form> (2,884)
free base

>  <URL> (2,884)
http://www.selleckchem.com/products/tryptamine.html

>  <CAS Number> (2,884)
61-54-1

$$$$
S3620 ¦Â-Glycerophosphate (sodium salt hydrate).cdx
csChFnd80/07171813082D

 17 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.6124    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
    3.6373    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.5124    0.0000 C   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
    4.8497    1.2124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2124    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   19.2304   15.6653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5082   15.6653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3693    5.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0915    5.9431    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
  3  6  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,885)
3325

>  <Formula> (2,885)
C3H17Na2O11P

>  <MolWeight> (2,885)
306.113781

>  <Item Name> (2,885)
¦Â-Glycerophosphate sodium salt hydrate

>  <Catalog Number> (2,885)
S3620

>  <Synonyms> (2,885)
N/A

>  <Target> (2,885)
phosphotase

>  <Form> (2,885)
sodium salt hydrate

>  <URL> (2,885)
http://www.selleckchem.com/products/beta-glycerophosphate-sodium-salt-hydrate.html

>  <CAS Number> (2,885)
13408-09-8

$$$$
PF-06409577.cdx
csChFnd80/07171813082D

 24 27  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
    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
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    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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.6414    1.4000    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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  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,886)
3326

>  <Formula> (2,886)
C19H16ClNO3

>  <MolWeight> (2,886)
341.78824

>  <Item Name> (2,886)
PF-06409577

>  <Catalog Number> (2,886)
S8335

>  <Synonyms> (2,886)
N/A

>  <Target> (2,886)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (2,886)
free base

>  <URL> (2,886)
http://www.selleckchem.com/products/pf-06409577.html

>  <CAS Number> (2,886)
1467057-23-3

$$$$
CCG-203971.cdx
csChFnd80/07171813082D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.4282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2157    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7028    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9152    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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3327

>  <Formula> (2,887)
C23H21ClN2O3

>  <MolWeight> (2,887)
408.87744

>  <Item Name> (2,887)
CCG-203971

>  <Catalog Number> (2,887)
S8469

>  <Synonyms> (2,887)
N/A

>  <Target> (2,887)
SRE.L

>  <Form> (2,887)
free base

>  <URL> (2,887)
http://www.selleckchem.com/products/ccg-203971.html

>  <CAS Number> (2,887)
1443437-74-8

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,888)
3328

>  <Formula> (2,888)
C14H21NO3S

>  <MolWeight> (2,888)
283.38644

>  <Item Name> (2,888)
Reparixin (Repertaxin)

>  <Catalog Number> (2,888)
S8640

>  <Synonyms> (2,888)
N/A

>  <Target> (2,888)
CXCR1,CXCR2,CXCL8

>  <Form> (2,888)
free base

>  <URL> (2,888)
http://www.selleckchem.com/products/reparixin-repertaxin.html

>  <CAS Number> (2,888)
266359-83-5

$$$$
S3684 Methacholine chloride.cdx
csChFnd80/07171813082D

 12 10  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,889)
3329

>  <Formula> (2,889)
C8H18ClNO2

>  <MolWeight> (2,889)
195.68702

>  <Item Name> (2,889)
Methacholine chloride

>  <Catalog Number> (2,889)
S3684

>  <Synonyms> (2,889)
Mecholyl chloride, Acetyl-¦Â-methylcholine chloride

>  <Target> (2,889)
muscarinic receptor

>  <Form> (2,889)
chloride

>  <URL> (2,889)
http://www.selleckchem.com/products/methacholine-chloride.html

>  <CAS Number> (2,889)
62-51-1

$$$$
S3702 Dihydrothymine.cdx
csChFnd80/07171813082D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,890)
3330

>  <Formula> (2,890)
C5H8N2O2

>  <MolWeight> (2,890)
128.12922

>  <Item Name> (2,890)
Dihydrothymine

>  <Catalog Number> (2,890)
S3702

>  <Synonyms> (2,890)
N/A

>  <Target> (2,890)
Others

>  <Form> (2,890)
free base

>  <URL> (2,890)
http://www.selleckchem.com/products/dihydrothymine.html

>  <CAS Number> (2,890)
696-04-8

$$$$
S3704 4-Methylbenzylidene camphor.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,891)
3331

>  <Formula> (2,891)
C18H22O

>  <MolWeight> (2,891)
254.36668

>  <Item Name> (2,891)
4-Methylbenzylidene camphor

>  <Catalog Number> (2,891)
S3704

>  <Synonyms> (2,891)
Enzacamene, 4-MBC

>  <Target> (2,891)
Others

>  <Form> (2,891)
free base

>  <URL> (2,891)
http://www.selleckchem.com/products/4-methylbenzylidene-camphor.html

>  <CAS Number> (2,891)
36861-47-9

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/07171813082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,892)
3332

>  <Formula> (2,892)
C18H19NO2S2

>  <MolWeight> (2,892)
345.47896

>  <Item Name> (2,892)
PKM2 inhibitor(compound 3k)

>  <Catalog Number> (2,892)
S8616

>  <Synonyms> (2,892)
N/A

>  <Target> (2,892)
PKM2

>  <Form> (2,892)
free base

>  <URL> (2,892)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

>  <CAS Number> (2,892)
94164-88-2

$$$$
S3650 Penicillin V potassium salt.cdx
csChFnd80/07171813082D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,893)
3333

>  <Formula> (2,893)
C16H17KN2O5S

>  <MolWeight> (2,893)
388.47988

>  <Item Name> (2,893)
Penicillin V potassium salt

>  <Catalog Number> (2,893)
S3650

>  <Synonyms> (2,893)
Phenoxymethylpenicillin potassium salt

>  <Target> (2,893)
Antifection

>  <Form> (2,893)
potassium salt

>  <URL> (2,893)
http://www.selleckchem.com/products/penicillin-v-potassium-salt.html

>  <CAS Number> (2,893)
132-98-9

$$$$
S3732 Avibactam sodium.cdx
csChFnd80/07171813082D

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    2.4249    2.6123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    2.6123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,894)
3334

>  <Formula> (2,894)
C7H10N3NaO6S

>  <MolWeight> (2,894)
287.22557

>  <Item Name> (2,894)
Avibactam sodium

>  <Catalog Number> (2,894)
S3732

>  <Synonyms> (2,894)
AVE-1330A, NXL104

>  <Target> (2,894)
 ¦Â-lactamase

>  <Form> (2,894)
sodium salt

>  <URL> (2,894)
http://www.selleckchem.com/products/avibactam-sodium.html

>  <CAS Number> (2,894)
1192491-61-4

$$$$
S3645 Kitasamycin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,895)
3335

>  <Formula> (2,895)
C40H67NO14

>  <MolWeight> (2,895)
785.95828

>  <Item Name> (2,895)
Kitasamycin

>  <Catalog Number> (2,895)
S3645

>  <Synonyms> (2,895)
leucomycin

>  <Target> (2,895)
Antifection

>  <Form> (2,895)
free base

>  <URL> (2,895)
http://www.selleckchem.com/products/kitasamycin.html

>  <CAS Number> (2,895)
1392-21-8

$$$$
S3646 Thimerosal.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,896)
3336

>  <Formula> (2,896)
C9H9HgNaO2S

>  <MolWeight> (2,896)
404.81133

>  <Item Name> (2,896)
Thimerosal

>  <Catalog Number> (2,896)
S3646

>  <Synonyms> (2,896)
Thiomersalate, Mercurothiolate

>  <Target> (2,896)
Antifection

>  <Form> (2,896)
sodium salt

>  <URL> (2,896)
http://www.selleckchem.com/products/thimerosal.html

>  <CAS Number> (2,896)
54-64-8

$$$$
Chondroitin sulfate.cdx
csChFnd80/07171813082D

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 12 18  1  1  0  0  0
  9 19  1  0  0  0  0
  9 20  2  0  0  0  0
  2 21  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
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
 18 27  1  0  0  0  0
 11 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
  4 32  1  6  0  0  0
A   33
n
M  END
>  <Mol_ID> (2,897)
3337

>  <Formula> (2,897)
C16H27NO14RS

>  <MolWeight> (2,897)
489.44888

>  <Item Name> (2,897)
Chondroitin sulfate

>  <Catalog Number> (2,897)
S2416

>  <Synonyms> (2,897)
N/A

>  <Target> (2,897)
Others

>  <Form> (2,897)
sulfate

>  <URL> (2,897)
http://www.selleckchem.com/products/chondroitin-sulfate.html

>  <CAS Number> (2,897)
9007-28-7

$$$$
S3675 Umbelliferone.cdx
csChFnd80/07171813082D

 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
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  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> (2,898)
3338

>  <Formula> (2,898)
C9H6O3

>  <MolWeight> (2,898)
162.14214

>  <Item Name> (2,898)
Umbelliferone

>  <Catalog Number> (2,898)
S3675

>  <Synonyms> (2,898)
7-hydroxycoumarin, hydrangine, skimmetine, beta-umbelliferone

>  <Target> (2,898)
Others

>  <Form> (2,898)
free base

>  <URL> (2,898)
http://www.selleckchem.com/products/umbelliferone.html

>  <CAS Number> (2,898)
93-35-6

$$$$
S3676 Carbendazim.cdx
csChFnd80/07171813082D

 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> (2,899)
3339

>  <Formula> (2,899)
C9H9N3O2

>  <MolWeight> (2,899)
191.18666

>  <Item Name> (2,899)
Carbendazim

>  <Catalog Number> (2,899)
S3676

>  <Synonyms> (2,899)
Mercarzole, Carbendazole

>  <Target> (2,899)
Others

>  <Form> (2,899)
free base

>  <URL> (2,899)
http://www.selleckchem.com/products/carbendazim.html

>  <CAS Number> (2,899)
10605-21-7

$$$$
S3677 Cinnamic acid.cdx
csChFnd80/07171813082D

 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> (2,900)
3340

>  <Formula> (2,900)
C9H8O2

>  <MolWeight> (2,900)
148.15862

>  <Item Name> (2,900)
Cinnamic acid

>  <Catalog Number> (2,900)
S3677

>  <Synonyms> (2,900)
trans-Cinnamic acid, Phenylacrylic acid, Cinnamylic acid, 3-Phenylacrylic acid|(E)-Cinnamic acid

>  <Target> (2,900)
Others

>  <Form> (2,900)
free base

>  <URL> (2,900)
http://www.selleckchem.com/products/cinnamic-acid.html

>  <CAS Number> (2,900)
140-10-3

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/07171813082D

 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
  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
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,901)
3341

>  <Formula> (2,901)
C11H8O3

>  <MolWeight> (2,901)
188.17942

>  <Item Name> (2,901)
2-Methoxy-1,4-naphthoquinone

>  <Catalog Number> (2,901)
S3661

>  <Synonyms> (2,901)
N/A

>  <Target> (2,901)
PKC

>  <Form> (2,901)
free base

>  <URL> (2,901)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

>  <CAS Number> (2,901)
2348-82-5

$$$$
S3652 3-Nitropropionic acid.cdx
csChFnd80/07171813082D

  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
  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  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,902)
3342

>  <Formula> (2,902)
C3H5NO4

>  <MolWeight> (2,902)
119.0761

>  <Item Name> (2,902)
3-Nitropropionic acid

>  <Catalog Number> (2,902)
S3652

>  <Synonyms> (2,902)
¦Â-Nitropropionic Acid, 3-NP

>  <Target> (2,902)
mitochondrial respiratory Complex II succin

>  <Form> (2,902)
free base

>  <URL> (2,902)
http://www.selleckchem.com/products/3-nitropropionic-acid.html

>  <CAS Number> (2,902)
504-88-1

$$$$
S3668 Thymopentin.cdx
csChFnd80/07171813082D

 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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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    6.3000    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
   13.3368    3.5000    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
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 27 29  1  0  0  0  0
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 33 34  1  0  0  0  0
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 21 48  1  0  0  0  0
M  END
>  <Mol_ID> (2,903)
3343

>  <Formula> (2,903)
C30H49N9O9

>  <MolWeight> (2,903)
679.76496

>  <Item Name> (2,903)
Thymopentin

>  <Catalog Number> (2,903)
S3668

>  <Synonyms> (2,903)
TP5

>  <Target> (2,903)
Immunology & Inflammation related

>  <Form> (2,903)
free base

>  <URL> (2,903)
http://www.selleckchem.com/products/thymopentin.html

>  <CAS Number> (2,903)
69558-55-0

$$$$
S3667 Imipenem.cdx
csChFnd80/07171813082D

 23 23  0  0  0  0  0  0  0  0999 V2000
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  5 22  1  6  0  0  0
M  END
>  <Mol_ID> (2,904)
3344

>  <Formula> (2,904)
C12H19N3O5S

>  <MolWeight> (2,904)
317.36136

>  <Item Name> (2,904)
Imipenem

>  <Catalog Number> (2,904)
S3667

>  <Synonyms> (2,904)
N/A

>  <Target> (2,904)
AmpC ¦Â-lactamase

>  <Form> (2,904)
hydrate

>  <URL> (2,904)
http://www.selleckchem.com/products/imipenem.html

>  <CAS Number> (2,904)
74431-23-5

$$$$
S3670 Cefsulodin (sodium).cdx
csChFnd80/07171813082D

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 33 35  1  0  0  0  0
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M  END
>  <Mol_ID> (2,905)
3345

>  <Formula> (2,905)
C22H19N4NaO8S2

>  <MolWeight> (2,905)
554.52803

>  <Item Name> (2,905)
Cefsulodin sodium

>  <Catalog Number> (2,905)
S3670

>  <Synonyms> (2,905)
Sulcephalosporin

>  <Target> (2,905)
mPTPB

>  <Form> (2,905)
sodium salt

>  <URL> (2,905)
http://www.selleckchem.com/products/cefsulodin-sodium.html

>  <CAS Number> (2,905)
52152-93-9

$$$$
S3672 Cefonicid (sodium).cdx
csChFnd80/07171813082D

 38 39  0  0  0  0  0  0  0  0999 V2000
   15.9036   10.1746    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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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
   11.2241    2.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0054    2.2529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9977    6.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2144    7.1716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,906)
3346

>  <Formula> (2,906)
C18H16N6Na2O8S3

>  <MolWeight> (2,906)
586.52958

>  <Item Name> (2,906)
Cefonicid sodium

>  <Catalog Number> (2,906)
S3672

>  <Synonyms> (2,906)
Cefonicid sodium

>  <Target> (2,906)
Antifection

>  <Form> (2,906)
disodium salt

>  <URL> (2,906)
http://www.selleckchem.com/products/cefonicid-sodium.html

>  <CAS Number> (2,906)
61270-78-8

$$$$
S3674 Levamlodipine.cdx
csChFnd80/07171813082D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,907)
3347

>  <Formula> (2,907)
C20H25ClN2O5

>  <MolWeight> (2,907)
408.8759

>  <Item Name> (2,907)
Levamlodipine

>  <Catalog Number> (2,907)
S3674

>  <Synonyms> (2,907)
S-amlodipine

>  <Target> (2,907)
calcium channel

>  <Form> (2,907)
free base

>  <URL> (2,907)
http://www.selleckchem.com/products/levamlodipine.html

>  <CAS Number> (2,907)
103129-82-4

$$$$
S3665 Trolox.cdx
csChFnd80/07171813082D

 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
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    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
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  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
  3  7  1  0  0  0  0
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 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> (2,908)
3348

>  <Formula> (2,908)
C14H18O4

>  <MolWeight> (2,908)
250.29032

>  <Item Name> (2,908)
Trolox

>  <Catalog Number> (2,908)
S3665

>  <Synonyms> (2,908)
N/A

>  <Target> (2,908)
Vitamin

>  <Form> (2,908)
free base

>  <URL> (2,908)
http://www.selleckchem.com/products/trolox.html

>  <CAS Number> (2,908)
53188-07-1

$$$$
S3120 Doxepin hydrochloride.cdx
csChFnd80/07171813082D

 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
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    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
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  8  9  2  0  0  0  0
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 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> (2,909)
3349

>  <Formula> (2,909)
C19H22ClNO

>  <MolWeight> (2,909)
315.83708

>  <Item Name> (2,909)
Doxepin hydrochloride

>  <Catalog Number> (2,909)
S3120

>  <Synonyms> (2,909)
N/A

>  <Target> (2,909)
CYP2D6

>  <Form> (2,909)
hydrochloride

>  <URL> (2,909)
http://www.selleckchem.com/products/doxepin-hydrochloride-sinequan.html

>  <CAS Number> (2,909)
1229-29-4

$$$$
S3660 Uniconazole.cdx
csChFnd80/07171813082D

 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
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    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
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  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
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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 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> (2,910)
3350

>  <Formula> (2,910)
C15H18ClN3O

>  <MolWeight> (2,910)
291.77592

>  <Item Name> (2,910)
Uniconazole

>  <Catalog Number> (2,910)
S3660

>  <Synonyms> (2,910)
S 3307D, XE 1019D

>  <Target> (2,910)
cytochrome P450 707As

>  <Form> (2,910)
free base

>  <URL> (2,910)
http://www.selleckchem.com/products/uniconazole.html

>  <CAS Number> (2,910)
83657-22-1

$$$$
MKC-3946.cdx
csChFnd80/07171813082D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8551    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
  1 11  1  0  0  0  0
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 22 25  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,911)
3351

>  <Formula> (2,911)
C21H20N2O3S

>  <MolWeight> (2,911)
380.4601

>  <Item Name> (2,911)
MKC-3946

>  <Catalog Number> (2,911)
S8286

>  <Synonyms> (2,911)
N/A

>  <Target> (2,911)
IRE1¦Á endoribonuclease

>  <Form> (2,911)
free base

>  <URL> (2,911)
http://www.selleckchem.com/products/mkc-3946.html

>  <CAS Number> (2,911)
1093119-54-0

$$$$
S3690 Pargyline (hydrochloride).cdx
csChFnd80/07171813082D

 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
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    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
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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
  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> (2,912)
3352

>  <Formula> (2,912)
C11H14ClN

>  <MolWeight> (2,912)
195.68856

>  <Item Name> (2,912)
Pargyline hydrochloride

>  <Catalog Number> (2,912)
S3690

>  <Synonyms> (2,912)
Pargylamine hydrochloride

>  <Target> (2,912)
monoamine oxidase (MAO)-B

>  <Form> (2,912)
hydrochloride 

>  <URL> (2,912)
http://www.selleckchem.com/products/pargyline-hydrochloride.html

>  <CAS Number> (2,912)
306-07-0

$$$$
S3693 2,6-Dihydroxypurine.cdx
csChFnd80/07171813082D

 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> (2,913)
3353

>  <Formula> (2,913)
C5H4N4O2

>  <MolWeight> (2,913)
152.11086

>  <Item Name> (2,913)
2,6-Dihydroxypurine

>  <Catalog Number> (2,913)
S3693

>  <Synonyms> (2,913)
xanthine, Isoxanthine

>  <Target> (2,913)
Others

>  <Form> (2,913)
free base

>  <URL> (2,913)
http://www.selleckchem.com/products/2-6-dihydroxypurine.html

>  <CAS Number> (2,913)
69-89-6

$$$$
S3688 2,4-Diamino-6-hydroxypyrimidine.cdx
csChFnd80/07171813082D

  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
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M  END
>  <Mol_ID> (2,914)
3354

>  <Formula> (2,914)
C4H6N4O

>  <MolWeight> (2,914)
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>  <Item Name> (2,914)
2,4-Diamino-6-hydroxypyrimidine

>  <Catalog Number> (2,914)
S3688

>  <Synonyms> (2,914)
DAHP

>  <Target> (2,914)
GTP cyclohydrolase I

>  <Form> (2,914)
free base

>  <URL> (2,914)
http://www.selleckchem.com/products/2-4-diamino-6-hydroxypyrimidine.html

>  <CAS Number> (2,914)
56-06-4

$$$$
S3713 Moxidectin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,915)
3355

>  <Formula> (2,915)
C37H53NO8

>  <MolWeight> (2,915)
639.81862

>  <Item Name> (2,915)
Moxidectin

>  <Catalog Number> (2,915)
S3713

>  <Synonyms> (2,915)
milbemycin B

>  <Target> (2,915)
Antifection

>  <Form> (2,915)
free base

>  <URL> (2,915)
http://www.selleckchem.com/products/moxidectin.html

>  <CAS Number> (2,915)
113507-06-5

$$$$
S3671 Quinestrol.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,916)
3356

>  <Formula> (2,916)
C25H32O2

>  <MolWeight> (2,916)
364.52038

>  <Item Name> (2,916)
Quinestrol

>  <Catalog Number> (2,916)
S3671

>  <Synonyms> (2,916)
Ethinylestradiol 3-cyclopentyl ether, EE2CPE, W-3566

>  <Target> (2,916)
Estrogen/progestogen Receptor

>  <Form> (2,916)
free base

>  <URL> (2,916)
http://www.selleckchem.com/products/quinestrol.html

>  <CAS Number> (2,916)
152-43-2

$$$$
Iopromide.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,917)
3357

>  <Formula> (2,917)
C18H24I3N3O8

>  <MolWeight> (2,917)
791.11187

>  <Item Name> (2,917)
Iopromide

>  <Catalog Number> (2,917)
S3207

>  <Synonyms> (2,917)
N/A

>  <Target> (2,917)
Others

>  <Form> (2,917)
free base

>  <URL> (2,917)
http://www.selleckchem.com/products/iopromide.html

>  <CAS Number> (2,917)
73334-07-3

$$$$
S3726 Selexipag.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,918)
3358

>  <Formula> (2,918)
C26H32N4O4S

>  <MolWeight> (2,918)
496.62168

>  <Item Name> (2,918)
Selexipag

>  <Catalog Number> (2,918)
S3726

>  <Synonyms> (2,918)
NS-304, ACT-293987

>  <Target> (2,918)
prostacyclin IP receptor

>  <Form> (2,918)
free base

>  <URL> (2,918)
http://www.selleckchem.com/products/selexipag.html

>  <CAS Number> (2,918)
475086-01-2

$$$$
S3728 Grazoprevir.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,919)
3359

>  <Formula> (2,919)
C38H50N6O9S

>  <MolWeight> (2,919)
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>  <Item Name> (2,919)
Grazoprevir

>  <Catalog Number> (2,919)
S3728

>  <Synonyms> (2,919)
MK5172

>  <Target> (2,919)
Hepatitis C Virus NS3/4A Protease

>  <Form> (2,919)
free base

>  <URL> (2,919)
http://www.selleckchem.com/products/grazoprevir.html

>  <CAS Number> (2,919)
1350514-68-9

$$$$
S3725 ELR-510444.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,920)
3360

>  <Formula> (2,920)
C19H16N2O2S2

>  <MolWeight> (2,920)
368.47254

>  <Item Name> (2,920)
ELR-510444

>  <Catalog Number> (2,920)
S3725

>  <Synonyms> (2,920)
N/A

>  <Target> (2,920)
microtubule

>  <Form> (2,920)
free base

>  <URL> (2,920)
http://www.selleckchem.com/products/elr-510444.html

>  <CAS Number> (2,920)
1233948-35-0

$$$$
S3731 Tipiracil hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,921)
3361

>  <Formula> (2,921)
C9H12Cl2N4O2

>  <MolWeight> (2,921)
279.12318

>  <Item Name> (2,921)
Tipiracil hydrochloride

>  <Catalog Number> (2,921)
S3731

>  <Synonyms> (2,921)
MA-1 hydrochloride

>  <Target> (2,921)
thymidine phosphorylase

>  <Form> (2,921)
hydrochloride

>  <URL> (2,921)
http://www.selleckchem.com/products/tipiracil-hydrochloride.html

>  <CAS Number> (2,921)
183204-72-0

$$$$
S3635 Medroxyprogesterone.cdx
csChFnd80/07171813082D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0716    3.4967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3 25  1  6  0  0  0
  1 26  1  1  0  0  0
  5 27  1  1  0  0  0
  2 28  1  6  0  0  0
M  END
>  <Mol_ID> (2,922)
3362

>  <Formula> (2,922)
C22H32O3

>  <MolWeight> (2,922)
344.48768

>  <Item Name> (2,922)
Medroxyprogesterone

>  <Catalog Number> (2,922)
S3635

>  <Synonyms> (2,922)
MP

>  <Target> (2,922)
progesterone receptor

>  <Form> (2,922)
free base

>  <URL> (2,922)
http://www.selleckchem.com/products/medroxyprogesterone.html

>  <CAS Number> (2,922)
520-85-4

$$$$
S3636 Cefadroxil (hydrate).cdx
csChFnd80/07171813082D

 27 28  0  0  0  0  0  0  0  0999 V2000
    9.7837    2.7189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.3241    2.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3241    4.1728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0432    4.8756    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1837    2.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0432    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000    1.8972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,923)
3363

>  <Formula> (2,923)
C16H19N3O6S

>  <MolWeight> (2,923)
381.40356

>  <Item Name> (2,923)
Cefadroxil hydrate

>  <Catalog Number> (2,923)
S3636

>  <Synonyms> (2,923)
N/A

>  <Target> (2,923)
Antifection

>  <Form> (2,923)
hydrate

>  <URL> (2,923)
http://www.selleckchem.com/products/cefadroxil-hydrate.html

>  <CAS Number> (2,923)
66592-87-8

$$$$
S3637 Cefpirome (sulfate).cdx
csChFnd80/07171813082D

 41 44  0  0  0  0  0  0  0  0999 V2000
   14.8107   10.8966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7515    6.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9575    5.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0064    6.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 41  1  0  0  0  0
M  END
>  <Mol_ID> (2,924)
3364

>  <Formula> (2,924)
C22H24N6O9S3

>  <MolWeight> (2,924)
612.65576

>  <Item Name> (2,924)
Cefpirome sulfate

>  <Catalog Number> (2,924)
S3637

>  <Synonyms> (2,924)
N/A

>  <Target> (2,924)
Antifection

>  <Form> (2,924)
sulfate

>  <URL> (2,924)
http://www.selleckchem.com/products/cefpirome-sulfate.html

>  <CAS Number> (2,924)
98753-19-6

$$$$
S3638 Cefamandole (nafate).cdx
csChFnd80/07171813082D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,925)
3365

>  <Formula> (2,925)
C19H17N6NaO6S2

>  <MolWeight> (2,925)
512.49465

>  <Catalog Number> (2,925)
S3638

>  <Synonyms> (2,925)
N/A

>  <Target> (2,925)
penicillin-binding proteins

>  <Form> (2,925)
sodium salt

>  <URL> (2,925)
http://www.selleckchem.com/products/cefamandole-nafate.html

>  <CAS Number> (2,925)
42540-40-9

$$$$
S3640 Methoxyphenamine (Hydrochloride).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,926)
3366

>  <Formula> (2,926)
C11H18ClNO

>  <MolWeight> (2,926)
215.71972

>  <Item Name> (2,926)
Methoxyphenamine Hydrochloride

>  <Catalog Number> (2,926)
S3640

>  <Synonyms> (2,926)
2-methoxy-N-methylamphetamine Hydrochloride, OMMA Hydrochloride

>  <Target> (2,926)
 ¦Â-adrenergic receptor

>  <Form> (2,926)
hydrochloride

>  <URL> (2,926)
http://www.selleckchem.com/products/methoxyphenamine-hydrochloride.html

>  <CAS Number> (2,926)
5588-10-3

$$$$
S3641 Osalmid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,927)
3367

>  <Formula> (2,927)
C13H11NO3

>  <MolWeight> (2,927)
229.23134

>  <Item Name> (2,927)
Osalmid

>  <Catalog Number> (2,927)
S3641

>  <Synonyms> (2,927)
N/A

>  <Target> (2,927)
ribonucleotide reductase

>  <Form> (2,927)
free base

>  <URL> (2,927)
http://www.selleckchem.com/products/osalmid.html

>  <CAS Number> (2,927)
526-18-1

$$$$
S3644 Sulfamonomethoxine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,928)
3368

>  <Formula> (2,928)
C11H12N4O3S

>  <MolWeight> (2,928)
280.30298

>  <Item Name> (2,928)
Sulfamonomethoxine

>  <Catalog Number> (2,928)
S3644

>  <Synonyms> (2,928)
N/A

>  <Target> (2,928)
Antifection

>  <Form> (2,928)
free base

>  <URL> (2,928)
http://www.selleckchem.com/products/sulfamonomethoxine.html

>  <CAS Number> (2,928)
1220-83-3

$$$$
S3648 Amlexanox.cdx
csChFnd80/07171813082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,929)
3370

>  <Formula> (2,929)
C16H14N2O4

>  <MolWeight> (2,929)
298.29336

>  <Item Name> (2,929)
Amlexanox

>  <Catalog Number> (2,929)
S3648

>  <Synonyms> (2,929)
AA-673, CHX-3673

>  <Target> (2,929)
TBK1,IKK-¦Å

>  <Form> (2,929)
free base

>  <URL> (2,929)
http://www.selleckchem.com/products/amlexanox.html

>  <CAS Number> (2,929)
68302-57-8

$$$$
S3649 Ceftazidime.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,930)
3371

>  <Formula> (2,930)
C22H22N6O7S2

>  <MolWeight> (2,930)
546.57608

>  <Item Name> (2,930)
Ceftazidime

>  <Catalog Number> (2,930)
S3649

>  <Synonyms> (2,930)
N/A

>  <Target> (2,930)
Antifection

>  <Form> (2,930)
inner salt

>  <URL> (2,930)
http://www.selleckchem.com/products/ceftazidime.html

>  <CAS Number> (2,930)
72558-82-8

$$$$
S3651 4-Amino-5-imidazolecarboxamide.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,931)
3372

>  <Formula> (2,931)
C4H6N4O

>  <MolWeight> (2,931)
126.11664

>  <Item Name> (2,931)
4-Amino-5-imidazolecarboxamide

>  <Catalog Number> (2,931)
S3651

>  <Synonyms> (2,931)
N/A

>  <Target> (2,931)
Others

>  <Form> (2,931)
free base

>  <URL> (2,931)
http://www.selleckchem.com/products/4-amino-5-imidazolecarboxamide.html

>  <CAS Number> (2,931)
360-97-4

$$$$
S3727 Vilanterol Trifenate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,932)
3373

>  <Formula> (2,932)
C44H49Cl2NO7

>  <MolWeight> (2,932)
774.76836

>  <Item Name> (2,932)
Vilanterol Trifenate

>  <Catalog Number> (2,932)
S3727

>  <Synonyms> (2,932)
GW642444M Trifenate

>  <Target> (2,932)
¦Â2-adrenoceptor

>  <Form> (2,932)
trifenatate

>  <URL> (2,932)
http://www.selleckchem.com/products/vilanterol-trifenate.html

>  <CAS Number> (2,932)
503070-58-4

$$$$
S3655 Cefepime (Dihydrochloride Monohydrate).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,933)
3374

>  <Formula> (2,933)
C19H28Cl2N6O6S2

>  <MolWeight> (2,933)
571.49822

>  <Item Name> (2,933)
Cefepime Dihydrochloride Monohydrate

>  <Catalog Number> (2,933)
S3655

>  <Synonyms> (2,933)
N/A

>  <Target> (2,933)
Antifection

>  <Form> (2,933)
dihydrochloride hydrate

>  <URL> (2,933)
http://www.selleckchem.com/products/cefepime-dihydrochloride-monohydrate.html

>  <CAS Number> (2,933)
123171-59-5

$$$$
S3656 Piribedil.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,934)
3375

>  <Formula> (2,934)
C16H18N4O2

>  <MolWeight> (2,934)
298.33972

>  <Item Name> (2,934)
Piribedil

>  <Catalog Number> (2,934)
S3656

>  <Synonyms> (2,934)
Trivastal, Trivastan

>  <Target> (2,934)
D3 receptor,adrenoceptor ¦Á2,D2 receptor

>  <Form> (2,934)
free base

>  <URL> (2,934)
http://www.selleckchem.com/products/piribedil.html

>  <CAS Number> (2,934)
3605-01-4

$$$$
S3657 Promestriene.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,935)
3376

>  <Formula> (2,935)
C22H32O2

>  <MolWeight> (2,935)
328.48828

>  <Item Name> (2,935)
Promestriene

>  <Catalog Number> (2,935)
S3657

>  <Synonyms> (2,935)
3-propyl ethyl, 17B-methyl estradiol

>  <Target> (2,935)
Estrogen Receptor

>  <Form> (2,935)
free base

>  <URL> (2,935)
http://www.selleckchem.com/products/promestriene.html

>  <CAS Number> (2,935)
39219-28-8

$$$$
S3658 O6-Benzylguanine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,936)
3377

>  <Formula> (2,936)
C12H11N5O

>  <MolWeight> (2,936)
241.24864

>  <Item Name> (2,936)
O6-Benzylguanine

>  <Catalog Number> (2,936)
S3658

>  <Synonyms> (2,936)
O6-BG

>  <Target> (2,936)
O6-alkylguanine DNA alkyltransferase

>  <Form> (2,936)
free base

>  <URL> (2,936)
http://www.selleckchem.com/products/o6-benzylguanine.html

>  <CAS Number> (2,936)
19916-73-5

$$$$
S3659 Fludrocortisone (acetate).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,937)
3378

>  <Formula> (2,937)
C23H31FO6

>  <MolWeight> (2,937)
422.4870432

>  <Item Name> (2,937)
Fludrocortisone acetate

>  <Catalog Number> (2,937)
S3659

>  <Synonyms> (2,937)
9¦Á-fluorocortisol acetate

>  <Target> (2,937)
others

>  <Form> (2,937)
free base

>  <URL> (2,937)
http://www.selleckchem.com/products/fludrocortisone-acetate.html

>  <CAS Number> (2,937)
514-36-3

$$$$
S3662 Pirenzepine (dihydrochloride).cdx
csChFnd80/07171813082D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,938)
3379

>  <Formula> (2,938)
C19H23Cl2N5O2

>  <MolWeight> (2,938)
424.32422

>  <Item Name> (2,938)
Pirenzepine dihydrochloride

>  <Catalog Number> (2,938)
S3662

>  <Synonyms> (2,938)
N/A

>  <Target> (2,938)
AChR

>  <Form> (2,938)
dihydrochloride

>  <URL> (2,938)
http://www.selleckchem.com/products/pirenzepine-dihydrochlori

>  <CAS Number> (2,938)
29868-97-1

$$$$
S3663 Afloqualone.cdx
csChFnd80/07171813082D

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 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,939)
3380

>  <Formula> (2,939)
C16H14FN3O

>  <MolWeight> (2,939)
283.3002632

>  <Item Name> (2,939)
Afloqualone

>  <Catalog Number> (2,939)
S3663

>  <Synonyms> (2,939)
HQ-495

>  <Target> (2,939)
GABAA ¦Â receptor

>  <Form> (2,939)
free base

>  <URL> (2,939)
http://www.selleckchem.com/products/afloqualone.html

>  <CAS Number> (2,939)
56287-74-2

$$$$
S3673 Sulfaphenazole.cdx
csChFnd80/07171813082D

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    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
    2.9848    4.5385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9592    6.5130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4541    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055    7.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6401    6.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    9.4406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
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 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> (2,940)
3381

>  <Formula> (2,940)
C15H14N4O2S

>  <MolWeight> (2,940)
314.36226

>  <Item Name> (2,940)
Sulfaphenazole

>  <Catalog Number> (2,940)
S3673

>  <Synonyms> (2,940)
Depocid, Depotsulfonamide, Plisulfan, Raziosulfa

>  <Target> (2,940)
CYP2C9

>  <Form> (2,940)
free base

>  <URL> (2,940)
http://www.selleckchem.com/products/sulfaphenazole.html

>  <CAS Number> (2,940)
526-08-9

$$$$
S3695 Cystamine dihydrochloride.cdx
csChFnd80/07171813082D

 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> (2,941)
3382

>  <Formula> (2,941)
C4H14Cl2N2S2

>  <MolWeight> (2,941)
225.20336

>  <Item Name> (2,941)
Cystamine dihydrochloride

>  <Catalog Number> (2,941)
S3695

>  <Synonyms> (2,941)
Decarboxycystine dihydrochloride, 2-Aminoethyl disulfide dihydrochloride

>  <Target> (2,941)
Antifection

>  <Form> (2,941)
dihydrochloride

>  <URL> (2,941)
http://www.selleckchem.com/products/cystamine-dihydrochloride.html

>  <CAS Number> (2,941)
56-17-7

$$$$
S3742 Cholic acid.cdx
csChFnd80/07171813082D

 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
   10.3909    7.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7534    8.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1057    8.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0487    7.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  2  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
    6.0621    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 O   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
    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
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    7.2746    2.1000    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  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
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 15 14  1  1  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> (2,942)
3383

>  <Formula> (2,942)
C24H40O5

>  <MolWeight> (2,942)
408.5714

>  <Item Name> (2,942)
Cholic acid

>  <Catalog Number> (2,942)
S3742

>  <Synonyms> (2,942)
N/A

>  <Target> (2,942)
Others

>  <Form> (2,942)
free base

>  <URL> (2,942)
http://www.selleckchem.com/products/cholic-acid.html

>  <CAS Number> (2,942)
81-25-4

$$$$
S3683 Methylmalonate.cdx
csChFnd80/07171813082D

  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> (2,943)
3384

>  <Formula> (2,943)
C4H6O4

>  <MolWeight> (2,943)
118.08804

>  <Item Name> (2,943)
Methylmalonate

>  <Catalog Number> (2,943)
S3683

>  <Synonyms> (2,943)
Isosuccinic Acid, NSC 25201, MMA

>  <Target> (2,943)
Others

>  <Form> (2,943)
free base

>  <URL> (2,943)
http://www.selleckchem.com/products/methylmalonate.html

>  <CAS Number> (2,943)
516-05-2

$$$$
S3669 Carmustine.cdx
csChFnd80/07171813082D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Cl  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
    9.6995    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
  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  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,944)
3386

>  <Formula> (2,944)
C5H9Cl2N3O2

>  <MolWeight> (2,944)
214.04986

>  <Item Name> (2,944)
Carmustine

>  <Catalog Number> (2,944)
S3669

>  <Synonyms> (2,944)
bis-chloroethylnitrosourea, BCNU, BiCNU|

>  <Target> (2,944)
Others

>  <Form> (2,944)
free base

>  <URL> (2,944)
http://www.selleckchem.com/products/carmustine.html

>  <CAS Number> (2,944)
154-93-8

$$$$
S3711 Carbasalate Calcium.cdx
csChFnd80/07171813082D

 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
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    2.4178    6.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (2,945)
3387

>  <Formula> (2,945)
C19H18CaN2O9

>  <MolWeight> (2,945)
458.43222

>  <Item Name> (2,945)
Carbasalate Calcium

>  <Catalog Number> (2,945)
S3711

>  <Synonyms> (2,945)
Iromin, Alcacyl, Omegin, Rheomin, Solupsan

>  <Target> (2,945)
platelet aggregation

>  <Form> (2,945)
calcium salt

>  <URL> (2,945)
http://www.selleckchem.com/products/carbasalate-calcium.html

>  <CAS Number> (2,945)
5749-67-7

$$$$
S3737 Cangrelor Tetrasodium.cdx
csChFnd80/07171813082D

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 13  7  1  1  0  0  0
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 34 35  1  0  0  0  0
 39 40  1  0  0  0  0
 43 44  1  0  0  0  0
 45 46  1  0  0  0  0
M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (2,946)
3388

>  <Formula> (2,946)
C17H21Cl2F3N5Na4O12P3S2

>  <MolWeight> (2,946)
864.2865126

>  <Item Name> (2,946)
Cangrelor Tetrasodium

>  <Catalog Number> (2,946)
S3737

>  <Synonyms> (2,946)
AR-C69931MX

>  <Target> (2,946)
P2Y12 receptor

>  <Form> (2,946)
tetrasodium salt

>  <URL> (2,946)
http://www.selleckchem.com/products/cangrelor-tetrasodium.html

>  <CAS Number> (2,946)
163706-36-3

$$$$
S3743 Oxiglutatione.cdx
csChFnd80/07171813082D

 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
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 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 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> (2,947)
3389

>  <Formula> (2,947)
C20H32N6O12S2

>  <MolWeight> (2,947)
612.63108

>  <Item Name> (2,947)
Oxiglutatione

>  <Catalog Number> (2,947)
S3743

>  <Synonyms> (2,947)
Oxidized glutathione, Glutathione disulfide, GSSG, Bi(glutathion-S-yl)

>  <Target> (2,947)
Others

>  <Form> (2,947)
free base

>  <URL> (2,947)
http://www.selleckchem.com/products/oxiglutatione.html

>  <CAS Number> (2,947)
27025-41-8

$$$$
S3653 Spermidine trihydrochloride.cdx
csChFnd80/07171813082D

 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
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,948)
3390

>  <Formula> (2,948)
C7H22Cl3N3

>  <MolWeight> (2,948)
254.62868

>  <Item Name> (2,948)
Spermidine trihydrochloride

>  <Catalog Number> (2,948)
S3653

>  <Synonyms> (2,948)
 	4-Azaoctamethylenediamine trihydrochloride

>  <Target> (2,948)
NMDAR,Autophagy

>  <Form> (2,948)
trihydrochloride

>  <URL> (2,948)
http://www.selleckchem.com/products/spermidine-trihydrochloride.html

>  <CAS Number> (2,948)
334-50-9

$$$$
S3705 Chlorobutanol.cdx
csChFnd80/07171813082D

  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
    1.4000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    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> (2,949)
3391

>  <Formula> (2,949)
C4H7Cl3O

>  <MolWeight> (2,949)
177.45678

>  <Item Name> (2,949)
Chlorobutanol

>  <Catalog Number> (2,949)
S3705

>  <Synonyms> (2,949)
Chlorbutol, Chloreton, Chloretone, Chlortran|

>  <Target> (2,949)
Antifection

>  <Form> (2,949)
free base

>  <URL> (2,949)
http://www.selleckchem.com/products/chlorobutanol.html

>  <CAS Number> (2,949)
57-15-8

$$$$
S3717 Testosterone Enanthate.cdx
csChFnd80/07171813082D

 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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>  <Item Name> (2,950)
Testosterone Enanthate

>  <Catalog Number> (2,950)
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>  <Synonyms> (2,950)
Testosterone heptanoate, NSC-17591

>  <Target> (2,950)
androgen receptor

>  <Form> (2,950)
free base

>  <URL> (2,950)
http://www.selleckchem.com/products/testosterone-enanthate.html

>  <CAS Number> (2,950)
315-37-7

$$$$
S3714 Lifitegrast.cdx
csChFnd80/07171813082D

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>  <Formula> (2,951)
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>  <Item Name> (2,951)
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>  <Catalog Number> (2,951)
S3714

>  <Synonyms> (2,951)
SAR1118

>  <Target> (2,951)
Integrin

>  <Form> (2,951)
free base

>  <URL> (2,951)
http://www.selleckchem.com/products/lifitegrast.html

>  <CAS Number> (2,951)
1025967-78-5

$$$$
S3718 Leuprolide Acetate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,952)
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>  <Formula> (2,952)
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>  <MolWeight> (2,952)
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S3718

>  <Synonyms> (2,952)
Leuprorelin Acetate

>  <Target> (2,952)
GnRHR

>  <Form> (2,952)
acetate

>  <URL> (2,952)
http://www.selleckchem.com/products/leuprolide-acetate.html

>  <CAS Number> (2,952)
74381-53-6

$$$$
S3719 Topiroxostat.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,953)
3395

>  <Formula> (2,953)
C13H8N6

>  <MolWeight> (2,953)
248.24282

>  <Item Name> (2,953)
Topiroxostat

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S3719

>  <Synonyms> (2,953)
N/A

>  <Target> (2,953)
XOR

>  <Form> (2,953)
free base

>  <URL> (2,953)
http://www.selleckchem.com/products/topiroxostat.html

>  <CAS Number> (2,953)
577778-58-6

$$$$
S3720 Elafibranor.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,954)
3396

>  <Formula> (2,954)
C22H24O4S

>  <MolWeight> (2,954)
384.48856

>  <Item Name> (2,954)
Elafibranor

>  <Catalog Number> (2,954)
S3720

>  <Synonyms> (2,954)
GFT505

>  <Target> (2,954)
PPAR¦Á,PPAR¦Ä

>  <Form> (2,954)
free base

>  <URL> (2,954)
http://www.selleckchem.com/products/elafibranor.html

>  <CAS Number> (2,954)
923978-27-2

$$$$
S3721 Bilastine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,955)
3397

>  <Formula> (2,955)
C28H37N3O3

>  <MolWeight> (2,955)
463.61168

>  <Item Name> (2,955)
Bilastine

>  <Catalog Number> (2,955)
S3721

>  <Synonyms> (2,955)
N/A

>  <Target> (2,955)
H1 receptor

>  <Form> (2,955)
free base

>  <URL> (2,955)
http://www.selleckchem.com/products/bilastine.html

>  <CAS Number> (2,955)
202189-78-4

$$$$
S3722 Isavuconazole.cdx
csChFnd80/07171813082D

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 22 24  1  0  0  0  0
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 15 26  1  1  0  0  0
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 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> (2,956)
3398

>  <Formula> (2,956)
C22H17F2N5OS

>  <MolWeight> (2,956)
437.4650864

>  <Item Name> (2,956)
Isavuconazole

>  <Catalog Number> (2,956)
S3722

>  <Synonyms> (2,956)
BAL-4815, RO-0094815

>  <Target> (2,956)
Antifection

>  <Form> (2,956)
free base

>  <URL> (2,956)
http://www.selleckchem.com/products/isavuconazole.html

>  <CAS Number> (2,956)
241479-67-4

$$$$
S3723 Ramosetron  Hydrochloride.cdx
csChFnd80/07171813082D

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    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
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    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
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    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
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    8.8743    4.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1977    2.5629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2077    4.8281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0256    3.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
 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
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 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> (2,957)
3399

>  <Formula> (2,957)
C17H18ClN3O

>  <MolWeight> (2,957)
315.79732

>  <Item Name> (2,957)
Ramosetron Hydrochloride

>  <Catalog Number> (2,957)
S3723

>  <Synonyms> (2,957)
YM-060

>  <Target> (2,957)
5-HT3 receptor

>  <Form> (2,957)
hydrochloride

>  <URL> (2,957)
http://www.selleckchem.com/products/ramosetron-hydrochloride.html

>  <CAS Number> (2,957)
132907-72-3

$$$$
S3724 Velpatasvir.cdx
csChFnd80/07171813082D

 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
    1.2124    8.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124   12.2239    0.0000 O   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
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   21.1523    5.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.5464    2.2115    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.1388    2.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 62 65  2  0  0  0  0
M  END
>  <Mol_ID> (2,958)
3400

>  <Formula> (2,958)
C49H54N8O8

>  <MolWeight> (2,958)
883.00186

>  <Item Name> (2,958)
Velpatasvir

>  <Catalog Number> (2,958)
S3724

>  <Synonyms> (2,958)
GS-5816

>  <Target> (2,958)
NS5A

>  <Form> (2,958)
free base

>  <URL> (2,958)
http://www.selleckchem.com/products/velpatasvir.html

>  <CAS Number> (2,958)
1377049-84-7

$$$$
S3735 Umeclidinium bromide.cdx
csChFnd80/07171813082D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,959)
3401

>  <Formula> (2,959)
C29H34BrNO2

>  <MolWeight> (2,959)
508.48976

>  <Item Name> (2,959)
Umeclidinium bromide

>  <Catalog Number> (2,959)
S3735

>  <Synonyms> (2,959)
N/A

>  <Target> (2,959)
mAChR

>  <Form> (2,959)
bromide

>  <URL> (2,959)
http://www.selleckchem.com/products/umeclidinium-bromide.html

>  <CAS Number> (2,959)
869113-09-7

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/07171813082D

 30 27  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    7.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500    6.3570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3566    7.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5727    6.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9977    6.3502    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1752   11.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752   11.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   18.3855    6.3438    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
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,960)
3404

>  <Formula> (2,960)
C17H17N3Na2O8

>  <MolWeight> (2,960)
437.31172

>  <Item Name> (2,960)
Balsalazide disodium

>  <Catalog Number> (2,960)
S3745

>  <Synonyms> (2,960)
N/A

>  <Target> (2,960)
Immunology & Inflammation related

>  <Form> (2,960)
disodium salt dihydrate

>  <URL> (2,960)
http://www.selleckchem.com/products/balsalazide-disodium.html

>  <CAS Number> (2,960)
150399-21-6

$$$$
S3746 Lumefantrine.cdx
csChFnd80/07171813082D

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.2154    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5239    6.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3525    5.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9239    6.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5902    7.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2154    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267    8.7299    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 14  8  1  0  0  0  0
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 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> (2,961)
3405

>  <Formula> (2,961)
C30H32Cl3NO

>  <MolWeight> (2,961)
528.94018

>  <Item Name> (2,961)
Lumefantrine

>  <Catalog Number> (2,961)
S3746

>  <Synonyms> (2,961)
benflumetol

>  <Target> (2,961)
Antifection

>  <Form> (2,961)
free base

>  <URL> (2,961)
http://www.selleckchem.com/products/lumefantrine.html

>  <CAS Number> (2,961)
82186-77-4

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/07171813082D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.9260    1.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2983    2.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7447    3.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    4.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4464    4.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4224    1.4396    0.0000 I   0  3  0  0  0  0  0  0  0  0  0  0
    4.5634    2.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1446    3.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9298    1.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8773    2.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4584    4.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0921    4.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3216    0.0000    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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  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  8 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  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,962)
3406

>  <Formula> (2,962)
C12H8ClI

>  <MolWeight> (2,962)
314.54939

>  <Item Name> (2,962)
Diphenyleneiodonium chloride (DPI)

>  <Catalog Number> (2,962)
S8639

>  <Synonyms> (2,962)
N/A

>  <Target> (2,962)
NADPH oxidase

>  <Form> (2,962)
chloride

>  <URL> (2,962)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

>  <CAS Number> (2,962)
4673-26-1

$$$$
S3682 Ethyl 3-Aminobenzoate methanesulfonate.cdx
csChFnd80/07171813082D

 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
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   10.7468    1.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (2,963)
3407

>  <Formula> (2,963)
C10H15NO5S

>  <MolWeight> (2,963)
261.2948

>  <Item Name> (2,963)
Ethyl 3-Aminobenzoate methanesulfonate

>  <Catalog Number> (2,963)
S3682

>  <Synonyms> (2,963)
Ethyl m-Aminobenzoate, NSC 93790, Tricaine methanesulfonate

>  <Target> (2,963)
voltage-dependent Na+-channels

>  <Form> (2,963)
methanesulfonate

>  <URL> (2,963)
http://www.selleckchem.com/products/ethyl-3-aminobenzoate-methanesulfonate.html

>  <CAS Number> (2,963)
886-86-2

$$$$
S3689 Ethidium bromide.cdx
csChFnd80/07171813082D

 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> (2,964)
3408

>  <Formula> (2,964)
C21H20BrN3

>  <MolWeight> (2,964)
394.3076

>  <Item Name> (2,964)
Ethidium bromide

>  <Catalog Number> (2,964)
S3689

>  <Synonyms> (2,964)
Homidium bromide, EtBr, EB

>  <Target> (2,964)
Others

>  <Form> (2,964)
bromide

>  <URL> (2,964)
http://www.selleckchem.com/products/ethidium-bromide.html

>  <CAS Number> (2,964)
1239-45-8

$$$$
S3706 Sarpogrelate hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,965)
3409

>  <Formula> (2,965)
C24H32ClNO6

>  <MolWeight> (2,965)
465.96698

>  <Item Name> (2,965)
Sarpogrelate hydrochloride

>  <Catalog Number> (2,965)
S3706

>  <Synonyms> (2,965)
MCI-9042

>  <Target> (2,965)
5-HT2A, 5-HT2C, 5-HT2B

>  <Form> (2,965)
hydrochloride

>  <URL> (2,965)
http://www.selleckchem.com/products/sarpogrelate-hydrochloride.html

>  <CAS Number> (2,965)
135159-51-2

$$$$
S3707 Ethopabate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,966)
3410

>  <Formula> (2,966)
C12H15NO4

>  <MolWeight> (2,966)
237.2518

>  <Item Name> (2,966)
Ethopabate

>  <Catalog Number> (2,966)
S3707

>  <Synonyms> (2,966)
Ethyl pabate

>  <Target> (2,966)
Antifection

>  <Form> (2,966)
free base

>  <URL> (2,966)
http://www.selleckchem.com/products/ethopabate.html

>  <CAS Number> (2,966)
59-06-3

$$$$
S3708 Sulfachloropyridazine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,967)
3411

>  <Formula> (2,967)
C10H9ClN4O2S

>  <MolWeight> (2,967)
284.72206

>  <Item Name> (2,967)
Sulfachloropyridazine

>  <Catalog Number> (2,967)
S3708

>  <Synonyms> (2,967)
N/A

>  <Target> (2,967)
Antifection

>  <Form> (2,967)
free base

>  <URL> (2,967)
http://www.selleckchem.com/products/sulfachloropyridazine.html

>  <CAS Number> (2,967)
80-32-0

$$$$
S3709 Furagin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,968)
3412

>  <Formula> (2,968)
C10H8N4O5

>  <MolWeight> (2,968)
264.19432

>  <Item Name> (2,968)
Furagin

>  <Catalog Number> (2,968)
S3709

>  <Synonyms> (2,968)
NF-416, F-35, Akritoin, Furazidin, Furazidine

>  <Target> (2,968)
Antifection

>  <Form> (2,968)
free base

>  <URL> (2,968)
http://www.selleckchem.com/products/furagin.html

>  <CAS Number> (2,968)
1672-88-4

$$$$
S3716 Flibanserin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,969)
3413

>  <Formula> (2,969)
C20H21F3N4O

>  <MolWeight> (2,969)
390.4021496

>  <Item Name> (2,969)
Flibanserin

>  <Catalog Number> (2,969)
S3716

>  <Synonyms> (2,969)
BIMT-17, BIMT-17-BS

>  <Target> (2,969)
5-HT1A receptor.D4 receptor,5-HT2A receptor

>  <Form> (2,969)
free base

>  <URL> (2,969)
http://www.selleckchem.com/products/flibanserin.html

>  <CAS Number> (2,969)
167933-07-5

$$$$
LYN-1604.cdx
csChFnd80/07171813082D

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ULK1

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dihydrochloride

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http://www.selleckchem.com/products/lyn-1604.html

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2088939-99-3(free base)

$$$$
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free base

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http://www.selleckchem.com/products/gnf-6231.html

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1243245-18-2

$$$$
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C62H88N14O10

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LY2510924

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S8505

>  <Synonyms> (2,972)
N/A

>  <Target> (2,972)
CXCR4

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free base

>  <URL> (2,972)
http://www.selleckchem.com/products/ly2510924.html

>  <CAS Number> (2,972)
1088715-84-7

$$$$
S3739 Calcipotriene.cdx
csChFnd80/07171813082D

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C27H40O3

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>  <Item Name> (2,973)
Calcipotriene

>  <Catalog Number> (2,973)
S3739

>  <Synonyms> (2,973)
Calcipotriol

>  <Target> (2,973)
Others

>  <Form> (2,973)
free base

>  <URL> (2,973)
http://www.selleckchem.com/products/calcipotriene.html

>  <CAS Number> (2,973)
112965-21-6

$$$$
ACY-738.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,974)
3418

>  <Formula> (2,974)
C14H14N4O2

>  <MolWeight> (2,974)
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>  <Item Name> (2,974)
ACY-738

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S8648

>  <Synonyms> (2,974)
N/A

>  <Target> (2,974)
HDAC6

>  <Form> (2,974)
free base

>  <URL> (2,974)
http://www.selleckchem.com/products/acy-738.html

>  <CAS Number> (2,974)
1375465-91-0

$$$$
S3712 Tulathromycin A.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,975)
3419

>  <Formula> (2,975)
C41H79N3O12

>  <MolWeight> (2,975)
806.07886

>  <Item Name> (2,975)
Tulathromycin A

>  <Catalog Number> (2,975)
S3712

>  <Synonyms> (2,975)
N/A

>  <Target> (2,975)
Antifection

>  <Form> (2,975)
free base

>  <URL> (2,975)
http://www.selleckchem.com/products/tulathromycin-a.html

>  <CAS Number> (2,975)
217500-96-4

$$$$
S3642 Cesium chloride.cdx
csChFnd80/07171813082D

  2  1  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Cs  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    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> (2,976)
3420

>  <Formula> (2,976)
ClCs

>  <MolWeight> (2,976)
168.35845

>  <Item Name> (2,976)
Cesium chloride

>  <Catalog Number> (2,976)
S3642

>  <Synonyms> (2,976)
CsCl

>  <Target> (2,976)
Others

>  <Form> (2,976)
inorganic salt

>  <URL> (2,976)
http://www.selleckchem.com/products/cesium-chloride.html

>  <CAS Number> (2,976)
7647-17-8

$$$$
S3685 4-Biphenylacetic acid.cdx
csChFnd80/07171813082D

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    4.2002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    2.8002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,977)
3421

>  <Formula> (2,977)
C14H12O2

>  <MolWeight> (2,977)
212.24388

>  <Item Name> (2,977)
4-Biphenylacetic acid

>  <Catalog Number> (2,977)
S3685

>  <Synonyms> (2,977)
BPA

>  <Target> (2,977)
Immunology & Inflammation related

>  <Form> (2,977)
free base

>  <URL> (2,977)
http://www.selleckchem.com/products/4-biphenylacetic-acid.html

>  <CAS Number> (2,977)
5728-52-9

$$$$
S3694 Glucosamine (hydrochloride).cdx
csChFnd80/07171813082D

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    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
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    1.1910    1.4151    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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>  <Mol_ID> (2,978)
3422

>  <Formula> (2,978)
C6H14ClNO5

>  <MolWeight> (2,978)
215.63206

>  <Item Name> (2,978)
Glucosamine hydrochloride

>  <Catalog Number> (2,978)
S3694

>  <Synonyms> (2,978)
2-Amino-2-deoxy-glucose HCl, Chitosamine HCl

>  <Target> (2,978)
Others

>  <Form> (2,978)
hydrochloride

>  <URL> (2,978)
http://www.selleckchem.com/products/glucosamine-hydrochloride.html

>  <CAS Number> (2,978)
66-84-2

$$$$
S3738 Travoprost.cdx
csChFnd80/07171813082D

 35 36  0  0  0  0  0  0  0  0999 V2000
    2.6979    7.7081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.4330    7.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041    9.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0607    7.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,979)
3423

>  <Formula> (2,979)
C26H35F3O6

>  <MolWeight> (2,979)
500.5477096

>  <Item Name> (2,979)
Travoprost

>  <Catalog Number> (2,979)
S3738

>  <Synonyms> (2,979)
Travoprostum

>  <Target> (2,979)
 Prostaglandin F receptor

>  <Form> (2,979)
free base

>  <URL> (2,979)
http://www.selleckchem.com/products/travoprost.html

>  <CAS Number> (2,979)
157283-68-6

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/07171813082D

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>  <Mol_ID> (2,980)
3424

>  <Formula> (2,980)
C27H45N5O5

>  <MolWeight> (2,980)
519.6767

>  <Item Name> (2,980)
Boceprevir

>  <Catalog Number> (2,980)
S3733

>  <Synonyms> (2,980)
N/A

>  <Target> (2,980)
hepatitis C virus (HCV) protease

>  <Form> (2,980)
free base

>  <URL> (2,980)
http://www.selleckchem.com/products/boceprevir.html

>  <CAS Number> (2,980)
394730-60-0

$$$$
S3679 Flavanone.cdx
csChFnd80/07171813082D

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    8.4760    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,981)
3425

>  <Formula> (2,981)
C15H12O2

>  <MolWeight> (2,981)
224.25458

>  <Item Name> (2,981)
Flavanone

>  <Catalog Number> (2,981)
S3679

>  <Synonyms> (2,981)
2,3-Dihydroflavone, 4-Flavanone, 2-Phenyl-4-chromanone, 2-Phenylchroman-4-one

>  <Target> (2,981)
Others

>  <Form> (2,981)
free base

>  <URL> (2,981)
http://www.selleckchem.com/products/flavanone.html

>  <CAS Number> (2,981)
487-26-3

$$$$
S3680 NLRP3 Inflammasome Inhibitor I.cdx
csChFnd80/07171813082D

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  9 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 20 22  2  0  0  0  0
 20 23  2  0  0  0  0
  6 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,982)
3426

>  <Formula> (2,982)
C16H17ClN2O4S

>  <MolWeight> (2,982)
368.83518

>  <Item Name> (2,982)
NLRP3 Inflammasome Inhibitor I

>  <Catalog Number> (2,982)
S3680

>  <Synonyms> (2,982)
N/A

>  <Target> (2,982)
NLRP3 inflammasome

>  <Form> (2,982)
free base

>  <URL> (2,982)
http://www.selleckchem.com/products/nlrp3-Inflammasome-inhibitor-i.html

>  <CAS Number> (2,982)
16673-34-0

$$$$
S3750 Sodium benzoate.cdx
csChFnd80/07171813082D

 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
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    0.0000    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,983)
3427

>  <Formula> (2,983)
C7H5NaO2

>  <MolWeight> (2,983)
144.10317

>  <Item Name> (2,983)
Sodium benzoate

>  <Catalog Number> (2,983)
S3750

>  <Synonyms> (2,983)
Benzoic acid sodium salt

>  <Target> (2,983)
Antifection

>  <Form> (2,983)
sodium salt

>  <URL> (2,983)
http://www.selleckchem.com/products/sodium-benzoate.html

>  <CAS Number> (2,983)
532-32-1

$$$$
S3628 BHQ.cdx
csChFnd80/07171813082D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    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
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    6.0362    4.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0445    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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M  END
>  <Mol_ID> (2,984)
3428

>  <Formula> (2,984)
C14H22O2

>  <MolWeight> (2,984)
222.32328

>  <Item Name> (2,984)
BHQ

>  <Catalog Number> (2,984)
S3628

>  <Synonyms> (2,984)
2,5-di-t-butyl-1,4-benzohydroquinone

>  <Target> (2,984)
SERCA

>  <Form> (2,984)
free base

>  <URL> (2,984)
http://www.selleckchem.com/products/bhq.html

>  <CAS Number> (2,984)
88-58-4

$$$$
S3715 Boldenone Undecylenate.cdx
csChFnd80/07171813082D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,985)
3429

>  <Formula> (2,985)
C30H44O3

>  <MolWeight> (2,985)
452.66856

>  <Item Name> (2,985)
Boldenone Undecylenate

>  <Catalog Number> (2,985)
S3715

>  <Synonyms> (2,985)
N/A

>  <Target> (2,985)
androgen receptor

>  <Form> (2,985)
free base

>  <URL> (2,985)
http://www.selleckchem.com/products/boldenone-undecylenate.html

>  <CAS Number> (2,985)
13103-34-9

$$$$
S3730 Metaxalone.cdx
csChFnd80/07171813082D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,986)
3430

>  <Formula> (2,986)
C12H15NO3

>  <MolWeight> (2,986)
221.2524

>  <Item Name> (2,986)
Metaxalone

>  <Catalog Number> (2,986)
S3730

>  <Synonyms> (2,986)
Skelaxin, Methaxalonum, Zorane

>  <Target> (2,986)
Others

>  <Form> (2,986)
free base

>  <URL> (2,986)
http://www.selleckchem.com/products/metaxalone.html

>  <CAS Number> (2,986)
1665-48-1

$$$$
S3747 Levothyroxine sodium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,987)
3431

>  <Formula> (2,987)
C15H10I4NNaO4

>  <MolWeight> (2,987)
798.85185

>  <Item Name> (2,987)
Levothyroxine sodium

>  <Catalog Number> (2,987)
S3747

>  <Synonyms> (2,987)
L-T4 sodium, L-Thyroxine sodium, LT4 sodium

>  <Target> (2,987)
Thyroid hormone receptor

>  <Form> (2,987)
sodium salt

>  <URL> (2,987)
http://www.selleckchem.com/products/levothyroxine-sodium.html

>  <CAS Number> (2,987)
55-03-8

$$$$
EAD1.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,988)
3432

>  <Formula> (2,988)
C26H28Cl2F3N7O2

>  <MolWeight> (2,988)
598.4474296

>  <Item Name> (2,988)
EAD1

>  <Catalog Number> (2,988)
S8576

>  <Synonyms> (2,988)
N/A

>  <Target> (2,988)
Autophagy

>  <Form> (2,988)
Trifluoroacetate

>  <URL> (2,988)
http://www.selleckchem.com/products/ead1.html

>  <CAS Number> (2,988)
1644388-26-0(free base)

$$$$
COTI-2.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,989)
3434

>  <Formula> (2,989)
C19H22N6S

>  <MolWeight> (2,989)
366.48318

>  <Item Name> (2,989)
COTI-2

>  <Catalog Number> (2,989)
S8580

>  <Synonyms> (2,989)
N/A

>  <Target> (2,989)
p53 mutants

>  <Form> (2,989)
free base

>  <URL> (2,989)
http://www.selleckchem.com/products/coti-2.html

>  <CAS Number> (2,989)
1039455-84-9

$$$$
S3729 Iron sucrose.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,990)
3435

>  <Formula> (2,990)
C18H24Fe2O24

>  <MolWeight> (2,990)
736.05876

>  <Item Name> (2,990)
Iron sucrose

>  <Catalog Number> (2,990)
S3729

>  <Synonyms> (2,990)
Iron saccharate, Sucroferric oxyhydroxide

>  <Target> (2,990)
Others

>  <Form> (2,990)
Iron saccharate

>  <URL> (2,990)
http://www.selleckchem.com/products/iron-sucrose.html

>  <CAS Number> (2,990)
8047-67-4

$$$$
Rotenone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (2,991)
3436

>  <Formula> (2,991)
C23H22O6

>  <MolWeight> (2,991)
394.41718

>  <Item Name> (2,991)
Rotenone (Barbasco)

>  <Catalog Number> (2,991)
S2348

>  <Synonyms> (2,991)
Barbasco, Dactinol, Paraderil, Rotenon, Rotocide

>  <Target> (2,991)
Antifection

>  <Form> (2,991)
free base

>  <URL> (2,991)
http://www.selleckchem.com/products/rotenone-barbasco.html

>  <CAS Number> (2,991)
83-79-4

$$$$
S3736 Fondaparinux Sodium.cdx
csChFnd80/07171813082D

101 95  0  0  0  0  0  0  0  0999 V2000
   13.4021    7.0383    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   20.7511    5.7999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.0600    5.6921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,992)
3438

>  <Formula> (2,992)
C31H43N3Na10O49S8

>  <MolWeight> (2,992)
1728.08152

>  <Item Name> (2,992)
Fondaparinux Sodium

>  <Catalog Number> (2,992)
S3736

>  <Synonyms> (2,992)
Natural heparin pentasaccharide Sodium

>  <Target> (2,992)
Factor Xa

>  <Form> (2,992)
decasodium salt

>  <URL> (2,992)
http://www.selleckchem.com/products/fondaparinux-sodium.html

>  <CAS Number> (2,992)
114870-03-0

$$$$
S3751 Quinidine sulfate.cdx
csChFnd80/07171813082D

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   13.4644    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    2.3656    0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7223    5.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 47 50  1  0  0  0  0
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M  END
>  <Mol_ID> (2,993)
3439

>  <Formula> (2,993)
C40H54N4O10S

>  <MolWeight> (2,993)
782.94256

>  <Item Name> (2,993)
Quinidine sulfate

>  <Catalog Number> (2,993)
S3751

>  <Synonyms> (2,993)
Chinidin Sodium, Pitayine Sodium, ¦Â-quinine Sodium, (+)-quinidine Sodium

>  <Target> (2,993)
sodium channels

>  <Form> (2,993)
sulfate dihydrate

>  <URL> (2,993)
http://www.selleckchem.com/products/quinidine-sulfate.html

>  <CAS Number> (2,993)
6591-63-5

$$$$
S3664 Flupenthixol dihydrochloride.cdx
csChFnd80/07171813082D

 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
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    6.4409   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   11.2906    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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  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
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  1  8  1  0  0  0  0
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 12 13  2  0  0  0  0
  4 10  1  0  0  0  0
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M  END
>  <Mol_ID> (2,994)
3440

>  <Formula> (2,994)
C23H27Cl2F3N2OS

>  <MolWeight> (2,994)
507.4394896

>  <Item Name> (2,994)
Flupenthixol dihydrochloride

>  <Catalog Number> (2,994)
S3664

>  <Synonyms> (2,994)
N/A

>  <Target> (2,994)
dopamine receptors

>  <Form> (2,994)
dihydrochloride

>  <URL> (2,994)
http://www.selleckchem.com/products/flupenthixol-dihydrochloride.html

>  <CAS Number> (2,994)
51529-01-2

$$$$
S3741 Benznidazole.cdx
csChFnd80/07171813082D

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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
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   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
  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
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 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
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (2,995)
3441

>  <Formula> (2,995)
C12H12N4O3

>  <MolWeight> (2,995)
260.24868

>  <Item Name> (2,995)
Benznidazole

>  <Catalog Number> (2,995)
S3741

>  <Synonyms> (2,995)
Radanil

>  <Target> (2,995)
Antifection

>  <Form> (2,995)
free base

>  <URL> (2,995)
http://www.selleckchem.com/products/benznidazole.html

>  <CAS Number> (2,995)
22994-85-0

$$$$
S3748 Acamprosate Calcium.cdx
csChFnd80/07171813082D

 12 10  0  0  0  0  0  0  0  0999 V2000
    7.2632    1.3510    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0504    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4523    0.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4523    2.0503    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8279    1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6149    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4068    1.3510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701    3.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0140    1.2993    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
  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
  9 11  2  0  0  0  0
A   12
?0.5Ca2+?
M  END
>  <Mol_ID> (2,996)
3442

>  <Formula> (2,996)
C5H10NO4RS-

>  <MolWeight> (2,996)
180.2022

>  <Item Name> (2,996)
Acamprosate CalciuM

>  <Catalog Number> (2,996)
S3748

>  <Synonyms> (2,996)
N-Acetylhomotaurine Calcium, calcium acetylhomotaurinate

>  <Target> (2,996)
GABA Receptor

>  <Form> (2,996)
calcium salt

>  <URL> (2,996)
http://www.selleckchem.com/products/acamprosate-calcium.html

>  <CAS Number> (2,996)
77337-73-6

$$$$
S3749 Calcium gluconate.cdx
csChFnd80/07171813082D

 28 24  0  0  0  0  0  0  0  0999 V2000
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    6.0622    8.1521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0622    9.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.1521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.1607    4.4820    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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 18 20  1  0  0  0  0
 18 21  1  1  0  0  0
 20 22  1  0  0  0  0
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 22 24  1  0  0  0  0
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M  END
>  <Mol_ID> (2,997)
3443

>  <Formula> (2,997)
C12H24CaO15

>  <MolWeight> (2,997)
448.38796

>  <Item Name> (2,997)
Calcium gluconate

>  <Catalog Number> (2,997)
S3749

>  <Synonyms> (2,997)
Calcarea gluconica, Calcium gluconate anhydrous, Calcium D-gluconate, Calciofon, Glucobiogen

>  <Target> (2,997)
Others

>  <Form> (2,997)
calcium salt, hydrate

>  <URL> (2,997)
http://www.selleckchem.com/products/calcium-gluconate.html

>  <CAS Number> (2,997)
66905-23-5

$$$$
Colchicine.cdx
csChFnd80/07171813082D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.6958    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  8  2  0  0  0  0
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  6 24  1  0  0  0  0
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M  END
>  <Mol_ID> (2,998)
3444

>  <Formula> (2,998)
C22H25NO6

>  <MolWeight> (2,998)
399.437

>  <Item Name> (2,998)
Colchicine

>  <Catalog Number> (2,998)
S2284

>  <Synonyms> (2,998)
Colchineos, Colchisol, Colcin

>  <Target> (2,998)
Microtubule Associated inhibitor 

>  <Form> (2,998)
free base

>  <URL> (2,998)
http://www.selleckchem.com/products/colchicine.html

>  <CAS Number> (2,998)
64-86-8

$$$$
Cinchonine.cdx
csChFnd80/07171813082D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (2,999)
3446

>  <Formula> (2,999)
C19H22N2O

>  <MolWeight> (2,999)
294.39078

>  <Catalog Number> (2,999)
S2283

>  <Synonyms> (2,999)
N/A

>  <Target> (2,999)
Others

>  <Form> (2,999)
free base

>  <URL> (2,999)
http://www.selleckchem.com/products/cinchonine.html

>  <CAS Number> (2,999)
118-10-5

$$$$
octocrylene.cdx
csChFnd80/07171813082D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,000)
3447

>  <Formula> (3,000)
C24H27NO2

>  <MolWeight> (3,000)
361.47668

>  <Item Name> (3,000)
Octocrylene

>  <Catalog Number> (3,000)
S1750

>  <Synonyms> (3,000)
N/A

>  <Target> (3,000)
Others

>  <Form> (3,000)
free base

>  <URL> (3,000)
http://www.selleckchem.com/products/octocrylene.html

>  <CAS Number> (3,000)
6197-30-4

$$$$
S4760 (2-Hydroxypropyl)-¦Â-cyclodextrin (HP-¦Â-CD.cdx
csChFnd80/07171813082D

105112  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (3,001)
C63H112O42

>  <MolWeight> (3,001)
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>  <Item Name> (3,001)
(2-Hydroxypropyl)-¦Â-cyclodextrin (HP-¦Â-CD)

>  <Catalog Number> (3,001)
S4760

>  <Synonyms> (3,001)
HP-¦Â-cyclodextrin

>  <Target> (3,001)
amyloid-¦Â aggregation

>  <Form> (3,001)
free base

>  <URL> (3,001)
http://www.selleckchem.com/products/2-hydroxypropyl-beta-cyclodextrin-hp-beta-cd.html

>  <CAS Number> (3,001)
128446-35-5

$$$$
S3666 Ilaprazole.cdx
csChFnd80/07171813082D

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3449

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C19H18N4O2S

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Ilaprazole

>  <Catalog Number> (3,002)
S3666

>  <Synonyms> (3,002)
IY-81149

>  <Target> (3,002)
Proton pump,TOPK 

>  <Form> (3,002)
free base

>  <URL> (3,002)
http://www.selleckchem.com/products/ilaprazole.html

>  <CAS Number> (3,002)
172152-36-2

$$$$
S3678 PTP Inhibitor II.cdx
csChFnd80/07171813082D

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3450

>  <Formula> (3,003)
C9H9BrO2

>  <MolWeight> (3,003)
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PTP Inhibitor II

>  <Catalog Number> (3,003)
S3678

>  <Synonyms> (3,003)
NSC 129010, 4-(Bromoacetyl)anisole

>  <Target> (3,003)
PTP

>  <Form> (3,003)
free base

>  <URL> (3,003)
http://www.selleckchem.com/products/ptp-inhibitor-2.html

>  <CAS Number> (3,003)
2632-13-5

$$$$
S3643 Amitraz.cdx
csChFnd80/07171813082D

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3455

>  <Formula> (3,008)
C24H32N6O3

>  <MolWeight> (3,008)
452.54928

>  <Item Name> (3,008)
GSK3326595 (EPZ015938)

>  <Catalog Number> (3,008)
S8664

>  <Synonyms> (3,008)
N/A

>  <Target> (3,008)
PRMT5

>  <Form> (3,008)
free base

>  <URL> (3,008)
http://www.selleckchem.com/products/gsk3326595-epz015938.html

>  <CAS Number> (3,008)
1616392-22-3

$$$$
S4759 p-Coumaric Acid.cdx
csChFnd80/07171813082D

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3456

>  <Formula> (3,009)
C9H8O3

>  <MolWeight> (3,009)
164.15802

>  <Item Name> (3,009)
p-Coumaric Acid

>  <Catalog Number> (3,009)
S4759

>  <Synonyms> (3,009)
4-Hydroxycinnamic acid, P-Hydroxycinnamic acid, 4-Coumaric acid, Trans-p-Coumaric acid

>  <Target> (3,009)
Antifection

>  <Form> (3,009)
free base

>  <URL> (3,009)
http://www.selleckchem.com/products/p-coumaric-acid.html

>  <CAS Number> (3,009)
501-98-4

$$$$
S3686 Thioisonicotinamide.cdx
csChFnd80/07171813082D

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3457

>  <Formula> (3,010)
C6H6N2S

>  <MolWeight> (3,010)
138.19024

>  <Item Name> (3,010)
Thioisonicotinamide

>  <Catalog Number> (3,010)
S3686

>  <Synonyms> (3,010)
Pyridine-4-carbothioamide, Isothionicotinamide, 4-Pyridylthiocarboxamide

>  <Target> (3,010)
Others

>  <Form> (3,010)
free base

>  <URL> (3,010)
http://www.selleckchem.com/products/thioisonicotinamide.html

>  <CAS Number> (3,010)
2196-13-6

$$$$
S3614 Lupeol.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,011)
3458

>  <Formula> (3,011)
C30H50O

>  <MolWeight> (3,011)
426.7174

>  <Item Name> (3,011)
Lupeol

>  <Catalog Number> (3,011)
S3614

>  <Synonyms> (3,011)
(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (3,011)
Others

>  <Form> (3,011)
free base

>  <URL> (3,011)
http://www.selleckchem.com/products/lupeol.html

>  <CAS Number> (3,011)
545-47-1

$$$$
iCRT3.cdx
csChFnd80/07171813082D

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>  <Formula> (3,012)
C23H26N2O2S

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>  <Item Name> (3,012)
iCRT3

>  <Catalog Number> (3,012)
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>  <Synonyms> (3,012)
N/A

>  <Target> (3,012)
Wnt/¦Â-catenin

>  <Form> (3,012)
free base

>  <URL> (3,012)
http://www.selleckchem.com/products/icrt3.html

>  <CAS Number> (3,012)
901751-47-1

$$$$
C188-9.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,017)
3471

>  <Formula> (3,017)
C21H25ClN2O2

>  <MolWeight> (3,017)
372.8884

>  <Item Name> (3,017)
CBL0137(CBL-0137)

>  <Catalog Number> (3,017)
S8483

>  <Synonyms> (3,017)
CBLC137, Curaxin 137

>  <Target> (3,017)
FACT,p53,NF-¦ÊB 

>  <Form> (3,017)
hydrochloride

>  <URL> (3,017)
http://www.selleckchem.com/products/cbl0137-cbl-0137.html

>  <CAS Number> (3,017)
1197397-89-9

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,018)
3472

>  <Formula> (3,018)
C26H45NO6S

>  <MolWeight> (3,018)
499.7036

>  <Item Name> (3,018)
Tauroursodeoxycholic Acid

>  <Catalog Number> (3,018)
S3654

>  <Synonyms> (3,018)
N/A

>  <Target> (3,018)
Others

>  <Form> (3,018)
free base

>  <URL> (3,018)
http://www.selleckchem.com/products/tauroursodeoxycholic-acid.html

>  <CAS Number> (3,018)
14605-22-2

$$$$
S3938 Bisdemethoxycurcumin.cdx
csChFnd80/07171813082D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,019)
3474

>  <Formula> (3,019)
C19H16O4

>  <MolWeight> (3,019)
308.32794

>  <Item Name> (3,019)
Bisdemethoxycurcumin

>  <Catalog Number> (3,019)
S3938

>  <Synonyms> (3,019)
N/A

>  <Target> (3,019)
Others

>  <Form> (3,019)
free base

>  <URL> (3,019)
http://www.selleckchem.com/products/bisdemethoxycurcumin.html

>  <CAS Number> (3,019)
33171-05-0

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,020)
3475

>  <Formula> (3,020)
C15H14O3

>  <MolWeight> (3,020)
242.26986

>  <Item Name> (3,020)
4'-Methoxyresveratrol

>  <Catalog Number> (3,020)
S3939

>  <Synonyms> (3,020)
N/A

>  <Target> (3,020)
Others

>  <Form> (3,020)
free base

>  <URL> (3,020)
http://www.selleckchem.com/products/4-methoxyresveratrol.html

>  <CAS Number> (3,020)
33626-08-3

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,021)
3476

>  <Formula> (3,021)
C16H16O4

>  <MolWeight> (3,021)
272.29584

>  <Item Name> (3,021)
3'-Hydroxypterostilbene

>  <Catalog Number> (3,021)
S3940

>  <Synonyms> (3,021)
3'-HPT

>  <Target> (3,021)
Others

>  <Form> (3,021)
free base

>  <URL> (3,021)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

>  <CAS Number> (3,021)
475231-21-1

$$$$
S3941 Pinocembrin.cdx
csChFnd80/07171813082D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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    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
  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
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  4 10  1  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,022)
3477

>  <Formula> (3,022)
C15H12O4

>  <MolWeight> (3,022)
256.25338

>  <Item Name> (3,022)
Pinocembrin

>  <Catalog Number> (3,022)
S3941

>  <Synonyms> (3,022)
Pinocembrin

>  <Target> (3,022)
Antifection

>  <Form> (3,022)
free base

>  <URL> (3,022)
http://www.selleckchem.com/products/pinocembrin.html

>  <CAS Number> (3,022)
480-39-7

$$$$
S3942 Cardamonin.cdx
csChFnd80/07171813082D

 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
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    8.4871    4.2000    0.0000 O   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
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,023)
3478

>  <Formula> (3,023)
C16H14O4

>  <MolWeight> (3,023)
270.27996

>  <Item Name> (3,023)
Cardamonin

>  <Catalog Number> (3,023)
S3942

>  <Synonyms> (3,023)
Alpinetin chalcone

>  <Target> (3,023)
TRPV1

>  <Form> (3,023)
free base

>  <URL> (3,023)
http://www.selleckchem.com/products/cardamonin.html

>  <CAS Number> (3,023)
18956-16-6

$$$$
S3981 Sinapinic Acid.cdx
csChFnd80/07171813082D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2131    4.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    4.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    4.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    6.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    0.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    4.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4487    4.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    6.2982    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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  3  7  2  0  0  0  0
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M  END
>  <Mol_ID> (3,024)
3479

>  <Formula> (3,024)
C11H12O5

>  <MolWeight> (3,024)
224.20998

>  <Item Name> (3,024)
Sinapinic Acid

>  <Catalog Number> (3,024)
S3981

>  <Synonyms> (3,024)
Sinapic acid

>  <Target> (3,024)
Others

>  <Form> (3,024)
free base

>  <URL> (3,024)
http://www.selleckchem.com/products/sinapinic-acid.html

>  <CAS Number> (3,024)
530-59-6

$$$$
S3983 Caryophyllene oxide.cdx
csChFnd80/07171813082D

 19 21  0  0  0  0  0  0  0  0999 V2000
    5.9962    4.3655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4693    3.0770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4087    4.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8049    5.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6571    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962    1.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225    4.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8049    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435    3.7682    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4225    1.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435    2.3556    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1307    3.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1307    2.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
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  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
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 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,025)
3480

>  <Formula> (3,025)
C15H24O

>  <MolWeight> (3,025)
220.35046

>  <Item Name> (3,025)
Caryophyllene oxide

>  <Catalog Number> (3,025)
S3983

>  <Synonyms> (3,025)
N/A

>  <Target> (3,025)
Others

>  <Form> (3,025)
free base

>  <URL> (3,025)
http://www.selleckchem.com/products/caryophyllene-oxide.html

>  <CAS Number> (3,025)
1139-30-6

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/07171813082D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    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  6  1  0  0  0  0
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  7 12  2  0  0  0  0
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  4  7  1  0  0  0  0
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 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,026)
3481

>  <Formula> (3,026)
C18H22O4

>  <MolWeight> (3,026)
302.36488

>  <Item Name> (3,026)
Nordihydroguaiaretic acid

>  <Catalog Number> (3,026)
S3984

>  <Synonyms> (3,026)
N/A

>  <Target> (3,026)
lipoxygenase

>  <Form> (3,026)
free base

>  <URL> (3,026)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

>  <CAS Number> (3,026)
500-38-9

$$$$
S3944 Valproic acid.cdx
csChFnd80/07171813082D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.1078    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    4.8416    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
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,027)
3486

>  <Formula> (3,027)
C8H16O2

>  <MolWeight> (3,027)
144.21144

>  <Item Name> (3,027)
Valproic acid

>  <Catalog Number> (3,027)
S3944

>  <Synonyms> (3,027)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (3,027)
HDAC1

>  <Form> (3,027)
free base

>  <URL> (3,027)
http://www.selleckchem.com/products/valproic-acid.html

>  <CAS Number> (3,027)
99-66-1

$$$$
S3965 Vanillyl Butyl Ether.cdx
csChFnd80/07171813082D

 15 15  0  0  0  0  0  0  0  0999 V2000
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    3.6881    2.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    4.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9108    4.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2032    4.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1140    4.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2032    2.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    0.7707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3171    4.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1087    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5045    4.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    4.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9217    4.1093    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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  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,028)
3487

>  <Formula> (3,028)
C12H18O3

>  <MolWeight> (3,028)
210.26952

>  <Item Name> (3,028)
Vanillyl Butyl Ether

>  <Catalog Number> (3,028)
S3965

>  <Synonyms> (3,028)
4-(Butoxymethyl)-2-methoxyphenol

>  <Target> (3,028)
Others

>  <URL> (3,028)
http://www.selleckchem.com/products/vanillyl-butyl-ether.html

>  <CAS Number> (3,028)
82654-98-6

$$$$
S3959 (+)-Borneol.cdx
csChFnd80/07171813082D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    1.6574    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7041    1.2941    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4060    2.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    2.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    2.8686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3545    4.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7168    5.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520    0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383    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  1  0  0  0  0
M  END
>  <Mol_ID> (3,029)
3488

>  <Formula> (3,029)
C10H18O

>  <MolWeight> (3,029)
154.24932

>  <Item Name> (3,029)
(+)-Borneol

>  <Catalog Number> (3,029)
S3959

>  <Synonyms> (3,029)
N/A

>  <Target> (3,029)
Others

>  <Form> (3,029)
free base

>  <URL> (3,029)
http://www.selleckchem.com/products/positive-rotation-borneol.html

>  <CAS Number> (3,029)
464-43-7

$$$$
Solanesol.cdx
csChFnd80/07171813082D

 46 45  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.5171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    9.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    8.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    7.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    8.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5661    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7786    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4159    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6283    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8407    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0532    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2656    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4780    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6905    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9029    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1153    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3278    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5402    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7527    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9651    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1775    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1775    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3900    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3278    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4780    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    6.0748    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
  4  6  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
  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
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 17 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
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 22 23  1  0  0  0  0
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 25 26  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
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 34 35  1  0  0  0  0
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 30 42  1  0  0  0  0
 26 43  1  0  0  0  0
 22 44  1  0  0  0  0
 18 45  1  0  0  0  0
 14 46  1  0  0  0  0
M  END
>  <Mol_ID> (3,030)
3490

>  <Formula> (3,030)
C45H74O

>  <MolWeight> (3,030)
631.06846

>  <Item Name> (3,030)
Solanesol (Nonaisoprenol)

>  <Catalog Number> (3,030)
S2360

>  <Synonyms> (3,030)
Nonaisoprenol, Betulanonaprenol

>  <Target> (3,030)
FAK

>  <Form> (3,030)
free base

>  <URL> (3,030)
http://www.selleckchem.com/products/solanesol-nonaisoprenol.html

>  <CAS Number> (3,030)
13190-97-1

$$$$
S3956 Tetramethylpyrazine.cdx
csChFnd80/07171813082D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2130    2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    2.7858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,031)
3493

>  <Formula> (3,031)
C8H12N2

>  <MolWeight> (3,031)
136.19428

>  <Item Name> (3,031)
Tetramethylpyrazine

>  <Catalog Number> (3,031)
S3956

>  <Synonyms> (3,031)
ligustrazine

>  <Target> (3,031)
PDE

>  <Form> (3,031)
free base

>  <URL> (3,031)
http://www.selleckchem.com/products/tetramethylpyrazine.html

>  <CAS Number> (3,031)
1124-11-4

$$$$
S3960 Higenamine hydrochloride.cdx
csChFnd80/07171813082D

 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
    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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  3  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
    0.0000    0.0000    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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    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    7.0000    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
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9811    1.1620    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
  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
 10 13  1  0  0  0  0
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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,032)
3494

>  <Formula> (3,032)
C16H18ClNO3

>  <MolWeight> (3,032)
307.77202

>  <Item Name> (3,032)
Higenamine hydrochloride

>  <Catalog Number> (3,032)
S3960

>  <Synonyms> (3,032)
Higenamine hydrochloride

>  <Target> (3,032)
¦Â2-adrenoceptor,¦Á1-adrenoceptor

>  <Form> (3,032)
hydrochloride

>  <URL> (3,032)
http://www.selleckchem.com/products/higenamine-hydrochloride.html

>  <CAS Number> (3,032)
11041-94-4

$$$$
S3961 Homoveratrumic acid.cdx
csChFnd80/07171813082D

 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
    6.0367    4.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2489    4.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    4.8889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2489    2.7886    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
  6 10  1  0  0  0  0
  7  9  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
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,033)
3495

>  <Formula> (3,033)
C10H12O4

>  <MolWeight> (3,033)
196.19988

>  <Item Name> (3,033)
Homoveratrumic acid

>  <Catalog Number> (3,033)
S3961

>  <Synonyms> (3,033)
Homoveratrumic acid

>  <Target> (3,033)
Others

>  <Form> (3,033)
free base

>  <URL> (3,033)
http://www.selleckchem.com/products/homoveratrumic-acid.html

>  <CAS Number> (3,033)
93-40-3

$$$$
S3761 Eucalyptol.cdx
csChFnd80/07171813082D

 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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  5  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  7  1  0  0  0  0
  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> (3,034)
3499

>  <Formula> (3,034)
C10H18O

>  <MolWeight> (3,034)
154.24932

>  <Item Name> (3,034)
Eucalyptol

>  <Catalog Number> (3,034)
S3761

>  <Synonyms> (3,034)
1,8-cineol; 1,8-cineole|cajeputol; 1,8-epoxy-p-menthane; 1,8-oxido-p-menthane; cineol; cineole

>  <Target> (3,034)
Others

>  <Form> (3,034)
free base

>  <URL> (3,034)
http://www.selleckchem.com/products/eucalyptol.html

>  <CAS Number> (3,034)
470-82-6

$$$$
S3756 Methyl salicylate.cdx
csChFnd80/07171813082D

 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
    1.1702    0.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.3931    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2252    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
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,035)
3500

>  <Formula> (3,035)
C8H8O3

>  <MolWeight> (3,035)
152.14732

>  <Item Name> (3,035)
Methyl salicylate

>  <Catalog Number> (3,035)
S3756

>  <Synonyms> (3,035)
2-Carbomethoxyphenol, Betula oil, Gaultheria oil, Methyl 2-hydroxybenzoate, Natural wintergreen oil

>  <Target> (3,035)
TRPA1,TRPV1

>  <Form> (3,035)
free base

>  <URL> (3,035)
http://www.selleckchem.com/products/methyl-salicylate.html

>  <CAS Number> (3,035)
119-36-8

$$$$
S3763 Cinnamaldehyde.cdx
csChFnd80/07171813082D

 11 11  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
    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
    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
    1.2124    2.8000    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    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  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> (3,036)
3501

>  <Formula> (3,036)
C9H8O

>  <MolWeight> (3,036)
132.15922

>  <Item Name> (3,036)
Cinnamaldehyde

>  <Catalog Number> (3,036)
S3763

>  <Synonyms> (3,036)
N/A

>  <Target> (3,036)
TRPA1

>  <Form> (3,036)
free base

>  <URL> (3,036)
http://www.selleckchem.com/products/cinnamaldehyde.html

>  <CAS Number> (3,036)
14371-10-9

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/07171813082D

 11 11  0  0  0  0  0  0  0  0999 V2000
    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
    2.0900    1.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7  9  1  0  0  0  0
  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (3,037)
3502

>  <Formula> (3,037)
C6H13NO4

>  <MolWeight> (3,037)
163.17172

>  <Item Name> (3,037)
1-Deoxynojirimycin

>  <Catalog Number> (3,037)
S3839

>  <Synonyms> (3,037)
duvoglustat, moranolin

>  <Target> (3,037)
¦Á-glucosidase

>  <Form> (3,037)
free base

>  <URL> (3,037)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

>  <CAS Number> (3,037)
19130-96-2

$$$$
S3814 Tubeimoside I.cdx
csChFnd80/07171813082D

 95105  0  0  0  0  0  0  0  0999 V2000
   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
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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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   19.4792    7.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3231    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3231   10.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6570   10.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    8.6116    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5349    6.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8239   11.4895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,038)
3504

>  <Formula> (3,038)
C63H98O29

>  <MolWeight> (3,038)
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>  <Item Name> (3,038)
Tubeimoside I

>  <Catalog Number> (3,038)
S3814

>  <Synonyms> (3,038)
Lobatoside H

>  <Target> (3,038)
Others

>  <Form> (3,038)
free base

>  <URL> (3,038)
http://www.selleckchem.com/products/tubeimoside-i.html

>  <CAS Number> (3,038)
102040-03-9

$$$$
S3815 Mogroside V.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,039)
3505

>  <Formula> (3,039)
C60H102O29

>  <MolWeight> (3,039)
1287.43448

>  <Item Name> (3,039)
Mogroside V

>  <Catalog Number> (3,039)
S3815

>  <Synonyms> (3,039)
N/A

>  <Target> (3,039)
Others

>  <Form> (3,039)
free base

>  <URL> (3,039)
http://www.selleckchem.com/products/mogroside-v.html

>  <CAS Number> (3,039)
88901-36-4

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,040)
3506

>  <Formula> (3,040)
C13H13ClN2O

>  <MolWeight> (3,040)
248.70812

>  <Item Name> (3,040)
Harmine hydrochloride

>  <Catalog Number> (3,040)
S3817

>  <Synonyms> (3,040)
telepathine hydrochloride

>  <Target> (3,040)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (3,040)
hydrochloride

>  <URL> (3,040)
http://www.selleckchem.com/products/harmine-hydrochloride.html

>  <CAS Number> (3,040)
343-27-1

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/07171813082D

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 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
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 18  3  2  0  0  0  0
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 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,041)
3507

>  <Formula> (3,041)
C19H20O5

>  <MolWeight> (3,041)
328.3591

>  <Item Name> (3,041)
Decursinol angelate

>  <Catalog Number> (3,041)
S3819

>  <Synonyms> (3,041)
N/A

>  <Target> (3,041)
PKC

>  <Form> (3,041)
free base

>  <URL> (3,041)
http://www.selleckchem.com/products/decursinol-angelate.html

>  <CAS Number> (3,041)
130848-06-5

$$$$
S3820 Dehydroevodiamine hydrochloride.cdx
csChFnd80/07171813082D

 24 27  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
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    2.4249    3.5000    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
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    3.6373    4.2000    0.0000 N   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
    7.2746    3.5000    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
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    6.3533    5.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5302    5.4231    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 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
  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  2  0  0  0  0
 13 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 14  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 10 22  1  0  0  0  0
  7 23  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,042)
3508

>  <Formula> (3,042)
C19H16ClN3O

>  <MolWeight> (3,042)
337.80284

>  <Item Name> (3,042)
Dehydroevodiamine hydrochloride

>  <Catalog Number> (3,042)
S3820

>  <Synonyms> (3,042)
N/A

>  <Target> (3,042)
AChE

>  <Form> (3,042)
hydrochloride

>  <URL> (3,042)
http://www.selleckchem.com/products/dehydroevodiamine-hydrochloride.html

>  <CAS Number> (3,042)
111664-82-5

$$$$
S3821 Nuciferine.cdx
csChFnd80/07171813082D

 23 26  0  0  0  0  0  0  0  0999 V2000
    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
    2.4362    3.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6735    5.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    2.0563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0841    4.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280    2.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    4.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    6.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4611    6.2980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6722    1.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0891    8.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    0.6564    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  2  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 23  1  1  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 11  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
  9 13  1  0  0  0  0
 10 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 19  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
M  END
>  <Mol_ID> (3,043)
3509

>  <Formula> (3,043)
C19H21NO2

>  <MolWeight> (3,043)
295.37554

>  <Item Name> (3,043)
Nuciferine

>  <Catalog Number> (3,043)
S3821

>  <Synonyms> (3,043)
Sanjoinine E, (-)-Nuciferine, VLT 049|

>  <Target> (3,043)
Others

>  <Form> (3,043)
free base

>  <URL> (3,043)
http://www.selleckchem.com/products/nuciferine.html

>  <CAS Number> (3,043)
475-83-2

$$$$
S3822 Schisandrin A.cdx
csChFnd80/07171813082D

 30 32  0  0  0  0  0  0  0  0999 V2000
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    4.9063    7.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5779    5.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3134    4.0620    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  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
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 25 28  1  0  0  0  0
 22 29  1  6  0  0  0
 18 30  1  6  0  0  0
M  END
>  <Mol_ID> (3,044)
3510

>  <Formula> (3,044)
C24H32O6

>  <MolWeight> (3,044)
416.50728

>  <Item Name> (3,044)
Schisandrin A

>  <Catalog Number> (3,044)
S3822

>  <Synonyms> (3,044)
Deoxyschizandrin, Wuweizisu A

>  <Target> (3,044)
AdipoR2

>  <Form> (3,044)
free base

>  <URL> (3,044)
http://www.selleckchem.com/products/schisandrin-a.html

>  <CAS Number> (3,044)
61281-38-7

$$$$
S3823 Schizandrol A.cdx
csChFnd80/07171813082D

 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
    3.9134    6.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913    4.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5222    2.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2913    4.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831    3.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674    5.6855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5 12  1  0  0  0  0
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  9 15  1  0  0  0  0
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 11 19  2  0  0  0  0
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 20 28  1  6  0  0  0
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 23 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,045)
3511

>  <Formula> (3,045)
C24H32O7

>  <MolWeight> (3,045)
432.50668

>  <Item Name> (3,045)
Schizandrol A

>  <Catalog Number> (3,045)
S3823

>  <Synonyms> (3,045)
N/A

>  <Target> (3,045)
Others

>  <Form> (3,045)
free base

>  <URL> (3,045)
http://www.selleckchem.com/products/schizandrol-a.html

>  <CAS Number> (3,045)
7432-28-2

$$$$
S3824 Quercitrin.cdx
csChFnd80/07171813082D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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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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 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (3,046)
3512

>  <Formula> (3,046)
C21H20O11

>  <MolWeight> (3,046)
448.3769

>  <Item Name> (3,046)
Quercitrin

>  <Catalog Number> (3,046)
S3824

>  <Synonyms> (3,046)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (3,046)
Others

>  <Form> (3,046)
free base

>  <URL> (3,046)
http://www.selleckchem.com/products/quercitrin.html

>  <CAS Number> (3,046)
522-12-3

$$$$
S3825 Glycitin.cdx
csChFnd80/07171813082D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.5223    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    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> (3,047)
3513

>  <Formula> (3,047)
C22H22O10

>  <MolWeight> (3,047)
446.40408

>  <Item Name> (3,047)
Glycitin

>  <Catalog Number> (3,047)
S3825

>  <Synonyms> (3,047)
Glycitein-7-¦Â-O-glucoside

>  <Target> (3,047)
Others

>  <Form> (3,047)
free base

>  <URL> (3,047)
http://www.selleckchem.com/products/glycitin.html

>  <CAS Number> (3,047)
40246-10-4

$$$$
S3826 Hydroxytyrosol.cdx
csChFnd80/07171813082D

 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
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  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,048)
3514

>  <Formula> (3,048)
C8H10O3

>  <MolWeight> (3,048)
154.1632

>  <Item Name> (3,048)
Hydroxytyrosol

>  <Catalog Number> (3,048)
S3826

>  <Synonyms> (3,048)
3-Hydroxytyrosol; 3,4-dihydroxyphenylethanol; Dihydroxyphenylethanol

>  <Target> (3,048)
Others

>  <Form> (3,048)
free base

>  <URL> (3,048)
http://www.selleckchem.com/products/hydroxytyrosol.html

>  <CAS Number> (3,048)
10597-60-1

$$$$
S3827 Royal jelly acid.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (3,049)
3515

>  <Formula> (3,049)
C10H18O3

>  <MolWeight> (3,049)
186.24812

>  <Item Name> (3,049)
Royal jelly acid

>  <Catalog Number> (3,049)
S3827

>  <Synonyms> (3,049)
10-Hydroxy-trans-2-decenoic acid, 10H2DA|

>  <Target> (3,049)
Others

>  <Form> (3,049)
free base

>  <URL> (3,049)
http://www.selleckchem.com/products/royal-jelly-acid.html

>  <CAS Number> (3,049)
14113-05-4

$$$$
S3828 Orcinol glucoside.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (3,050)
3516

>  <Formula> (3,050)
C13H18O7

>  <MolWeight> (3,050)
286.27782

>  <Item Name> (3,050)
Orcinol glucoside

>  <Catalog Number> (3,050)
S3828

>  <Synonyms> (3,050)
Sakakin

>  <Target> (3,050)
Others

>  <Form> (3,050)
free base

>  <URL> (3,050)
http://www.selleckchem.com/products/orcinol-glucoside.html

>  <CAS Number> (3,050)
21082-33-7

$$$$
S3829 Isoalantolactone.cdx
csChFnd80/07171813082D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,051)
3517

>  <Formula> (3,051)
C15H20O2

>  <MolWeight> (3,051)
232.3181

>  <Item Name> (3,051)
Isoalantolactone

>  <Catalog Number> (3,051)
S3829

>  <Synonyms> (3,051)
N/A

>  <Target> (3,051)
Others

>  <URL> (3,051)
http://www.selleckchem.com/products/isoalantolactone.html

>  <CAS Number> (3,051)
470-17-7

$$$$
S3833 Amentoflavone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,052)
3518

>  <Formula> (3,052)
C30H18O10

>  <MolWeight> (3,052)
538.45792

>  <Item Name> (3,052)
Amentoflavone

>  <Catalog Number> (3,052)
S3833

>  <Synonyms> (3,052)
Didemethyl Ginkgetin

>  <Target> (3,052)
Others

>  <Form> (3,052)
free base

>  <URL> (3,052)
http://www.selleckchem.com/products/amentoflavone.html

>  <CAS Number> (3,052)
1617-53-4

$$$$
S3834 Astaxanthin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,053)
3519

>  <Formula> (3,053)
C40H52O4

>  <MolWeight> (3,053)
596.83848

>  <Item Name> (3,053)
Astaxanthin

>  <Catalog Number> (3,053)
S3834

>  <Synonyms> (3,053)
¦Â-Carotene-4,4'-dione, trans-Astaxanthin

>  <Target> (3,053)
Others

>  <Form> (3,053)
free base

>  <URL> (3,053)
http://www.selleckchem.com/products/astaxanthin.html

>  <CAS Number> (3,053)
472-61-7

$$$$
S3835 Loganin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,054)
3520

>  <Formula> (3,054)
C17H26O10

>  <MolWeight> (3,054)
390.38234

>  <Item Name> (3,054)
Loganin

>  <Catalog Number> (3,054)
S3835

>  <Synonyms> (3,054)
Loganoside

>  <Target> (3,054)
AChE,BACE1,BChE

>  <Form> (3,054)
free base

>  <URL> (3,054)
http://www.selleckchem.com/products/loganin.html

>  <CAS Number> (3,054)
18524-94-2

$$$$
S3836 6-Gingerol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,055)
3521

>  <Formula> (3,055)
C17H26O4

>  <MolWeight> (3,055)
294.38594

>  <Item Name> (3,055)
6-Gingerol

>  <Catalog Number> (3,055)
S3836

>  <Synonyms> (3,055)
CI-1011

>  <Target> (3,055)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (3,055)
free base

>  <URL> (3,055)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

>  <CAS Number> (3,055)
23513-14-6

$$$$
S3838 Carnosic acid.cdx
csChFnd80/07171813082D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0439    4.2039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,056)
3522

>  <Formula> (3,056)
C20H28O4

>  <MolWeight> (3,056)
332.43392

>  <Item Name> (3,056)
Carnosic acid

>  <Catalog Number> (3,056)
S3838

>  <Synonyms> (3,056)
salvin

>  <Target> (3,056)
Others

>  <Form> (3,056)
free base

>  <URL> (3,056)
http://www.selleckchem.com/products/carnosic-acid.html

>  <CAS Number> (3,056)
3650-09-7

$$$$
S3840 Baohuoside I.cdx
csChFnd80/07171813082D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,057)
3523

>  <Formula> (3,057)
C27H30O10

>  <MolWeight> (3,057)
514.5211

>  <Item Name> (3,057)
Baohuoside I

>  <Catalog Number> (3,057)
S3840

>  <Synonyms> (3,057)
Icariside II

>  <Target> (3,057)
ROS

>  <URL> (3,057)
http://www.selleckchem.com/products/baohuoside-i.html

>  <CAS Number> (3,057)
113558-15-9

$$$$
S3841 Eleutheroside B.cdx
csChFnd80/07171813082D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,058)
3524

>  <Formula> (3,058)
C17H24O9

>  <MolWeight> (3,058)
372.36706

>  <Item Name> (3,058)
Eleutheroside B

>  <Catalog Number> (3,058)
S3841

>  <Synonyms> (3,058)
syringin, Syringoside, Lilacin

>  <Target> (3,058)
Others

>  <Form> (3,058)
free base

>  <URL> (3,058)
http://www.selleckchem.com/products/eleutheroside-b.html

>  <CAS Number> (3,058)
118-34-3

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/07171813082D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,059)
3525

>  <Formula> (3,059)
C21H20O12

>  <MolWeight> (3,059)
464.3763

>  <Item Name> (3,059)
Isoquercitrin

>  <Catalog Number> (3,059)
S3842

>  <Synonyms> (3,059)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (3,059)
Wnt/¦Â-catenin

>  <Form> (3,059)
free base

>  <URL> (3,059)
http://www.selleckchem.com/products/isoquercitrin.html

>  <CAS Number> (3,059)
482-35-9

$$$$
S3957 Gamma-Oryzanol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,060)
3526

>  <Formula> (3,060)
C40H58O4

>  <MolWeight> (3,060)
602.88612

>  <Item Name> (3,060)
Gamma-Oryzanol

>  <Catalog Number> (3,060)
S3957

>  <Synonyms> (3,060)
N/A

>  <Target> (3,060)
Others

>  <Form> (3,060)
free base

>  <URL> (3,060)
http://www.selleckchem.com/products/gamma-oryzanol.html

>  <CAS Number> (3,060)
11042-64-1

$$$$
S3962 Dihydroactinidiolide.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (3,061)
3527

>  <Formula> (3,061)
C11H16O2

>  <MolWeight> (3,061)
180.24354

>  <Item Name> (3,061)
Dihydroactinidiolide

>  <Catalog Number> (3,061)
S3962

>  <Synonyms> (3,061)
N/A

>  <Target> (3,061)
Others

>  <Form> (3,061)
free base

>  <URL> (3,061)
http://www.selleckchem.com/products/dihydroactinidiolide.html

>  <CAS Number> (3,061)
17092-92-1

$$$$
S3968 Histamine.cdx
csChFnd80/07171813082D

  8  8  0  0  0  0  0  0  0  0999 V2000
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    4.6406    1.6834    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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  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,062)
3528

>  <Formula> (3,062)
C5H9N3

>  <MolWeight> (3,062)
111.14506

>  <Item Name> (3,062)
Histamine

>  <Catalog Number> (3,062)
S3968

>  <Synonyms> (3,062)
N/A

>  <Target> (3,062)
Histamine receptor

>  <Form> (3,062)
free base

>  <URL> (3,062)
http://www.selleckchem.com/products/histamine.html

>  <CAS Number> (3,062)
51-45-6

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/07171813082D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  3  1  2  0  0  0  0
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  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
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M  END
>  <Mol_ID> (3,063)
3531

>  <Formula> (3,063)
C19H17NaO6S

>  <MolWeight> (3,063)
396.38945

>  <Item Name> (3,063)
Tanshinone IIA sulfonate (sodium)

>  <Catalog Number> (3,063)
S3766

>  <Synonyms> (3,063)
N/A

>  <Target> (3,063)
CYP3A4

>  <Form> (3,063)
sodium salt

>  <URL> (3,063)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

>  <CAS Number> (3,063)
69659-80-9

$$$$
S3769 Palmatine.cdx
csChFnd80/07171813082D

 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
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    6.0657    4.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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M  END
>  <Mol_ID> (3,064)
3532

>  <Formula> (3,064)
C21H22NO4+

>  <MolWeight> (3,064)
352.40368

>  <Item Name> (3,064)
Palmatine

>  <Catalog Number> (3,064)
S3769

>  <Synonyms> (3,064)
Berbericinine, Burasaine

>  <Target> (3,064)
AChE,BChE 

>  <Form> (3,064)
free base

>  <URL> (3,064)
http://www.selleckchem.com/products/palmatine.html

>  <CAS Number> (3,064)
3486-67-7

$$$$
ONC212.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,065)
3533

>  <Formula> (3,065)
C24H23F3N4O

>  <MolWeight> (3,065)
440.4608296

>  <Item Name> (3,065)
ONC212

>  <Catalog Number> (3,065)
S8673

>  <Synonyms> (3,065)
N/A

>  <Target> (3,065)
Others

>  <Form> (3,065)
free base

>  <URL> (3,065)
http://www.selleckchem.com/products/onc212.html

>  <CAS Number> (3,065)
1807861-48-8

$$$$
S3770 Sodium Aescinate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,066)
3534

>  <Formula> (3,066)
C54H83NaO23

>  <MolWeight> (3,066)
1123.21279

>  <Item Name> (3,066)
Sodium Aescinate

>  <Catalog Number> (3,066)
S3770

>  <Synonyms> (3,066)
Escin sodium salt

>  <Target> (3,066)
Others

>  <Form> (3,066)
sodium salt

>  <URL> (3,066)
http://www.selleckchem.com/products/sodium-aescinate.html

>  <CAS Number> (3,066)
20977-05-3

$$$$
S3771 Stachydrine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,067)
3535

>  <Formula> (3,067)
C7H13NO2

>  <MolWeight> (3,067)
143.18362

>  <Item Name> (3,067)
Stachydrine

>  <Catalog Number> (3,067)
S3771

>  <Synonyms> (3,067)
	Proline betaine, L-stachydrine, Methyl hygrate betaine

>  <Target> (3,067)
Others

>  <Form> (3,067)
inner salt

>  <URL> (3,067)
http://www.selleckchem.com/products/stachydrine.html

>  <CAS Number> (3,067)
471-87-4

$$$$
S3773 Tyrosol.cdx
csChFnd80/07171813082D

 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> (3,068)
3536

>  <Formula> (3,068)
C8H10O2

>  <MolWeight> (3,068)
138.1638

>  <Item Name> (3,068)
Tyrosol

>  <Catalog Number> (3,068)
S3773

>  <Synonyms> (3,068)
4-Hydroxyphenylethanol, 4-Hydroxyphenethyl alcohol, 2-(4-Hydroxyphenyl)ethanol

>  <Target> (3,068)
Others

>  <Form> (3,068)
free base

>  <URL> (3,068)
http://www.selleckchem.com/products/tyrosol.html

>  <CAS Number> (3,068)
501-94-0

$$$$
S3774 Dehydroandrographolide Succinate Potasium Salt.cdx
csChFnd80/07171813082D

 40 41  0  0  0  0  0  0  0  0999 V2000
    8.4854    6.7480    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4834    9.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922    8.8433    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6729    7.4369    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8965    6.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1169    7.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    8.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9124    9.5392    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9124   10.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1277   11.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1277   13.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2635   13.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8348   15.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4301   15.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9923   13.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5940   13.4235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9171    6.0585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922   10.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1853    5.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4936    5.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8696    4.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2209    4.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    7.4308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2709    8.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600    6.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365    6.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    7.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    6.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    9.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.3286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5945    2.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9488    2.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3223    0.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2108    5.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3325    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6736    0.6388    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.9960    0.6495    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1 19  1  1  0  0  0
  1 20  1  6  0  0  0
 23  1  1  0  0  0  0
  1  4  1  0  0  0  0
 24  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3 18  1  6  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  2  0  0  0  0
  8  9  1  6  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 15 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 34  1  0  0  0  0
 22 37  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  6  0  0  0
 26 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 28  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
 31 33  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (3,069)
3537

>  <Formula> (3,069)
C28H35KO10

>  <MolWeight> (3,069)
570.6698

>  <Item Name> (3,069)
Dehydroandrographolide Succinate Potasium Sa

>  <Catalog Number> (3,069)
S3774

>  <Synonyms> (3,069)
N/A

>  <Target> (3,069)
Immunology & Inflammation

>  <Form> (3,069)
potassium salt

>  <URL> (3,069)
http://www.selleckchem.com/products/dehydroandrographolide-succinate-potasium-salt.html

>  <CAS Number> (3,069)
76958-99-1

$$$$
S3775 Ligustrazine hydrochloride.cdx
csChFnd80/07171813082D

 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
    3.6387    2.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    2.8209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    2.1081    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
    0.0000    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2373    1.3237    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
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,070)
3538

>  <Formula> (3,070)
C8H13ClN2

>  <MolWeight> (3,070)
172.65522

>  <Item Name> (3,070)
Ligustrazine hydrochloride

>  <Catalog Number> (3,070)
S3775

>  <Synonyms> (3,070)
Tetramethylpyrazine HCl, Tetrapyrazine HCl

>  <Target> (3,070)
Immunology & Inflammation

>  <Form> (3,070)
hydrochloride

>  <URL> (3,070)
http://www.selleckchem.com/products/ligustrazine-hydrochloride.html

>  <CAS Number> (3,070)
76494-51-4

$$$$
Lappaconitine.cdx
csChFnd80/07171813082D

 46 52  0  0  0  0  0  0  0  0999 V2000
    2.2213    8.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213    6.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4338    6.0580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6462    6.7580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6462    8.1580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4338    8.8580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7408    5.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1057    6.1966    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7131    7.4580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1057    8.7193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7408    9.0309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4338   10.2531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213   10.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1338    4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8237    9.9212    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9026   10.9755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6153   10.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7338    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    7.6038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0669   11.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5057    8.7193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8584   12.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8684   13.5856    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
  6  1  1  0  0  0  0
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 11  5  1  0  0  0  0
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 15  8  1  0  0  0  0
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 30 24  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 11 34  1  1  0  0  0
 17 35  1  1  0  0  0
 32 36  2  0  0  0  0
  8 37  1  1  0  0  0
 17 38  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  1  0  0  0
 16 41  1  6  0  0  0
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 38 39  1  0  0  0  0
 10 43  1  1  0  0  0
  4 44  1  1  0  0  0
 38 45  1  1  0  0  0
 45 46  1  0  0  0  0
M  END
>  <Mol_ID> (3,071)
3540

>  <Formula> (3,071)
C32H44N2O8

>  <MolWeight> (3,071)
584.70036

>  <Item Name> (3,071)
Lappaconitine

>  <Catalog Number> (3,071)
S2318

>  <Synonyms> (3,071)
N/A

>  <Target> (3,071)
Sodium channel 

>  <Form> (3,071)
free base

>  <URL> (3,071)
http://www.selleckchem.com/products/lappaconitine.html

>  <CAS Number> (3,071)
32854-75-4

$$$$
S3759 Norcantharidin.cdx
csChFnd80/07171813082D

 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
    1.2081    1.4028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5609    1.7635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5640    3.1635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2213    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168    2.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    4.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    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
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  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,072)
3541

>  <Formula> (3,072)
C8H8O4

>  <MolWeight> (3,072)
168.14672

>  <Item Name> (3,072)
Norcantharidin

>  <Catalog Number> (3,072)
S3759

>  <Synonyms> (3,072)
Endothall anhydride

>  <Target> (3,072)
c-Met,EGFR

>  <Form> (3,072)
free base

>  <URL> (3,072)
http://www.selleckchem.com/products/norcantharidin.html

>  <CAS Number> (3,072)
29745-04-8

$$$$
S3914 ¦Á-Hederin.cdx
csChFnd80/07171813082D

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   13.4188    7.4883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
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  2  7  1  0  0  0  0
  2  8  1  6  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 54  1  6  0  0  0
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 16 21  1  0  0  0  0
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 18 23  1  1  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  6  0  0  0
 20 27  1  1  0  0  0
 21 25  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 23 30  2  0  0  0  0
 24 31  1  0  0  0  0
 24 32  1  0  0  0  0
 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> (3,073)
3542

>  <Formula> (3,073)
C41H66O12

>  <MolWeight> (3,073)
750.95554

>  <Item Name> (3,073)
¦Á-Hederin

>  <Catalog Number> (3,073)
S3914

>  <Synonyms> (3,073)
N/A

>  <Target> (3,073)
Others

>  <Form> (3,073)
free base

>  <URL> (3,073)
http://www.selleckchem.com/products/alpha-hederin.html

>  <CAS Number> (3,073)
27013-91-8

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/07171813082D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6000    4.8497    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  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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  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
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 14  8  1  0  0  0  0
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  1 16  1  0  0  0  0
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  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> (3,074)
3543

>  <Formula> (3,074)
C19H24ClNO4

>  <MolWeight> (3,074)
365.85116

>  <Item Name> (3,074)
Sinomenine hydrochloride

>  <Catalog Number> (3,074)
S3758

>  <Synonyms> (3,074)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (3,074)
Immunology & Inflammation

>  <Form> (3,074)
hydrochloride

>  <URL> (3,074)
http://www.selleckchem.com/products/sinomenine-hydrochloride.html

>  <CAS Number> (3,074)
6080-33-7

$$$$
S3760 Stachydrine hydrochloride.cdx
csChFnd80/07171813082D

 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
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    0.1871    3.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (3,075)
3544

>  <Formula> (3,075)
C7H14ClNO2

>  <MolWeight> (3,075)
179.64456

>  <Item Name> (3,075)
Stachydrine hydrochloride

>  <Catalog Number> (3,075)
S3760

>  <Synonyms> (3,075)
N/A

>  <Target> (3,075)
Others

>  <Form> (3,075)
chloride

>  <URL> (3,075)
http://www.selleckchem.com/products/stachydrine-hydrochloride.html

>  <CAS Number> (3,075)
4136-37-2

$$$$
S3764 Isoferulic Acid.cdx
csChFnd80/07171813082D

 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> (3,076)
3545

>  <Formula> (3,076)
C10H10O4

>  <MolWeight> (3,076)
194.184

>  <Item Name> (3,076)
Isoferulic Acid

>  <Catalog Number> (3,076)
S3764

>  <Synonyms> (3,076)
Hesperetic acid, Hesperetate, Isoferulate

>  <Target> (3,076)
Others

>  <Form> (3,076)
free base

>  <URL> (3,076)
http://www.selleckchem.com/products/isoferulic-acid.html

>  <CAS Number> (3,076)
537-73-5

$$$$
S3788 Carvacrol.cdx
csChFnd80/07171813082D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.2000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    3.6373    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
  1  6  2  0  0  0  0
  2  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  5  8  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,077)
3546

>  <Formula> (3,077)
C10H14O

>  <MolWeight> (3,077)
150.21756

>  <Item Name> (3,077)
Carvacrol

>  <Catalog Number> (3,077)
S3788

>  <Synonyms> (3,077)
cymophenol

>  <Target> (3,077)
Others

>  <Form> (3,077)
free base

>  <URL> (3,077)
http://www.selleckchem.com/products/carvacrol.html

>  <CAS Number> (3,077)
499-75-2

$$$$
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csChFnd80/07171813082D

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C16H20O9

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Gentiopicroside

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Gentiopicrin

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CYP2A6,CYP2E1

>  <Form> (3,078)
free base

>  <URL> (3,078)
http://www.selleckchem.com/products/gentiopicroside.html

>  <CAS Number> (3,078)
20831-76-9

$$$$
S3779 cis-Anethol.cdx
csChFnd80/07171813082D

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cis-Anethole

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(Z)-Anethole, Cis-p-Propenylanisole, Cis-p-Anethole

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free base

>  <URL> (3,079)
http://www.selleckchem.com/products/cis-anethole.html

>  <CAS Number> (3,079)
104-46-1

$$$$
S3782 Neomangiferin.cdx
csChFnd80/07171813082D

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>  <Formula> (3,080)
C25H28O16

>  <MolWeight> (3,080)
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>  <Item Name> (3,080)
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>  <Synonyms> (3,080)
Mangiferin 7-glucoside

>  <Target> (3,080)
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>  <Form> (3,080)
free base

>  <URL> (3,080)
http://www.selleckchem.com/products/neomangiferin.html

>  <CAS Number> (3,080)
64809-67-2

$$$$
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M  END
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>  <Formula> (3,081)
C35H46O20

>  <MolWeight> (3,081)
786.72774

>  <Item Name> (3,081)
Echinacoside

>  <Catalog Number> (3,081)
S3783

>  <Synonyms> (3,081)
N/A

>  <Target> (3,081)
Others

>  <Form> (3,081)
free base

>  <URL> (3,081)
http://www.selleckchem.com/products/echinacoside.html

>  <CAS Number> (3,081)
82854-37-3

$$$$
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csChFnd80/07171813082D

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>  <Formula> (3,082)
C26H30O7

>  <MolWeight> (3,082)
454.5122

>  <Item Name> (3,082)
Obacunone

>  <Catalog Number> (3,082)
S3784

>  <Synonyms> (3,082)
N/A

>  <Target> (3,082)
Nrf2,Aromatase

>  <Form> (3,082)
free base

>  <URL> (3,082)
http://www.selleckchem.com/products/obacunone.html

>  <CAS Number> (3,082)
751-03-1

$$$$
S3786 Glabridin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,083)
3552

>  <Formula> (3,083)
C20H20O4

>  <MolWeight> (3,083)
324.3704

>  <Item Name> (3,083)
Glabridin

>  <Catalog Number> (3,083)
S3786

>  <Synonyms> (3,083)
Q-100692, KB-289522, LS-176045

>  <Target> (3,083)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (3,083)
free base

>  <URL> (3,083)
http://www.selleckchem.com/products/glabridin.html

>  <CAS Number> (3,083)
59870-68-7

$$$$
S3787 Picroside I.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,084)
3553

>  <Formula> (3,084)
C24H28O11

>  <MolWeight> (3,084)
492.47252

>  <Item Name> (3,084)
Picroside I

>  <Catalog Number> (3,084)
S3787

>  <Synonyms> (3,084)
6'-Cinnamoylcatalpol

>  <Target> (3,084)
Antifection

>  <Form> (3,084)
free base

>  <URL> (3,084)
http://www.selleckchem.com/products/picroside-i.html

>  <CAS Number> (3,084)
27409-30-9

$$$$
S3780 Secoisolariciresinol diglucoside.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,085)
3554

>  <Formula> (3,085)
C32H46O16

>  <MolWeight> (3,085)
686.69804

>  <Item Name> (3,085)
Secoisolariciresinol diglucoside

>  <Catalog Number> (3,085)
S3780

>  <Synonyms> (3,085)
N/A

>  <Target> (3,085)
Others

>  <Form> (3,085)
free base

>  <URL> (3,085)
http://www.selleckchem.com/products/secoisolariciresinol-diglucoside.html

>  <CAS Number> (3,085)
148244-82-0

$$$$
S3911 Veratramine.cdx
csChFnd80/07171813082D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,086)
3555

>  <Formula> (3,086)
C27H39NO2

>  <MolWeight> (3,086)
409.60406

>  <Item Name> (3,086)
Veratramine

>  <Catalog Number> (3,086)
S3911

>  <Synonyms> (3,086)
NSC 17821, NSC 23880

>  <Target> (3,086)
Sodium Channel

>  <Form> (3,086)
free base

>  <URL> (3,086)
http://www.selleckchem.com/products/veratramine.html

>  <CAS Number> (3,086)
60-70-8

$$$$
S3912 Cephalotaxine.cdx
csChFnd80/07171813082D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,087)
3556

>  <Formula> (3,087)
C18H21NO4

>  <MolWeight> (3,087)
315.36364

>  <Item Name> (3,087)
Cephalotaxine

>  <Catalog Number> (3,087)
S3912

>  <Synonyms> (3,087)
N/A

>  <Target> (3,087)
Others

>  <Form> (3,087)
free base

>  <URL> (3,087)
http://www.selleckchem.com/products/cephalotaxine.html

>  <CAS Number> (3,087)
24316-19-6

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/07171813082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (3,088)
3557

>  <Formula> (3,088)
C17H14O5

>  <MolWeight> (3,088)
298.29006

>  <Item Name> (3,088)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Catalog Number> (3,088)
S3918

>  <Synonyms> (3,088)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (3,088)
Others

>  <Form> (3,088)
free base

>  <URL> (3,088)
http://www.selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

>  <CAS Number> (3,088)
5128-44-9

$$$$
S3929 Liquiritigenin.cdx
csChFnd80/07171813082D

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  1 12  1  1  0  0  0
  8 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,089)
3558

>  <Formula> (3,089)
C15H12O4

>  <MolWeight> (3,089)
256.25338

>  <Item Name> (3,089)
Liquiritigenin

>  <Catalog Number> (3,089)
S3929

>  <Synonyms> (3,089)
4',7-Dihydroxyflavanone

>  <Target> (3,089)
ER¦Â,VEGF

>  <Form> (3,089)
free base

>  <URL> (3,089)
http://www.selleckchem.com/products/liquiritigenin.html

>  <CAS Number> (3,089)
578-86-9

$$$$
S3930 Liquiritin.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (3,090)
3559

>  <Formula> (3,090)
C21H22O9

>  <MolWeight> (3,090)
418.39398

>  <Item Name> (3,090)
Liquiritin

>  <Catalog Number> (3,090)
S3930

>  <Synonyms> (3,090)
Liquiritoside, Liquiritigenin-4'-O-glucoside

>  <Target> (3,090)
Others

>  <Form> (3,090)
free base

>  <URL> (3,090)
http://www.selleckchem.com/products/liquiritin.html

>  <CAS Number> (3,090)
551-15-5

$$$$
S3932 Astilbin.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (3,091)
3560

>  <Formula> (3,091)
C21H22O11

>  <MolWeight> (3,091)
450.39278

>  <Item Name> (3,091)
Astilbin

>  <Catalog Number> (3,091)
S3932

>  <Synonyms> (3,091)
Isoastilbin, Neoastilbin, Neoisoastilbin, Taxifolin 3-O-rhamnoside, Taxifolin 3-rhamnoside

>  <Target> (3,091)
Immunology & Inflammation related

>  <Form> (3,091)
free base

>  <URL> (3,091)
http://www.selleckchem.com/products/astilbin.html

>  <CAS Number> (3,091)
29838-67-3

$$$$
S3933 10-deacetyl-paclitaxel,10-DAT.cdx
csChFnd80/07171813082D

 61 67  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,092)
3561

>  <Formula> (3,092)
C45H49NO13

>  <MolWeight> (3,092)
811.86946

>  <Item Name> (3,092)
10-deacetyl-paclitaxel

>  <Catalog Number> (3,092)
S3933

>  <Synonyms> (3,092)
10-DAT, Deacetyl Paclitaxel

>  <Target> (3,092)
Others

>  <Form> (3,092)
free base

>  <URL> (3,092)
http://www.selleckchem.com/products/10-deacetyl-paclitaxel.html

>  <CAS Number> (3,092)
78432-77-6

$$$$
S3754 4-Hydroxybenzoic acid.cdx
csChFnd80/07171813082D

 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> (3,093)
3564

>  <Formula> (3,093)
C7H6O3

>  <MolWeight> (3,093)
138.12074

>  <Item Name> (3,093)
4-Hydroxybenzoic acid

>  <Catalog Number> (3,093)
S3754

>  <Synonyms> (3,093)
p-hydroxybenzoic acid, PHBA, para-Hydroxybenzoic acid, 4-hydroxybenzoate

>  <Target> (3,093)
Others

>  <Form> (3,093)
free base

>  <URL> (3,093)
http://www.selleckchem.com/products/4-hydroxybenzoic-acid.html

>  <CAS Number> (3,093)
99-96-7

$$$$
S3755 Betaine.cdx
csChFnd80/07171813082D

  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> (3,094)
3565

>  <Formula> (3,094)
C5H11NO2

>  <MolWeight> (3,094)
117.14634

>  <Item Name> (3,094)
Betaine

>  <Catalog Number> (3,094)
S3755

>  <Synonyms> (3,094)
trimethylglycine, glycine betaine, lycine, oxyneurine

>  <Target> (3,094)
Others

>  <Form> (3,094)
inner salt

>  <URL> (3,094)
http://www.selleckchem.com/products/betaine.html

>  <CAS Number> (3,094)
107-43-7

$$$$
S3757 2'-Deoxyinosine.cdx
csChFnd80/07171813082D

 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
    2.4196    5.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650    3.8724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5849    6.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    7.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    4.9600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3473    2.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4872    3.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670    7.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    7.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1623    1.6064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4829    2.0314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0163    7.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    9.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178    0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6115    1.2030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  1  0  0  0
 12 13  1  0  0  0  0
 13 17  1  6  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,095)
3566

>  <Formula> (3,095)
C10H12N4O4

>  <MolWeight> (3,095)
252.22668

>  <Item Name> (3,095)
2'-Deoxyinosine

>  <Catalog Number> (3,095)
S3757

>  <Synonyms> (3,095)
Guanine deoxyriboside, Deoxyinosine

>  <Target> (3,095)
Others

>  <Form> (3,095)
free base

>  <URL> (3,095)
http://www.selleckchem.com/products/2-deoxyinosine.html

>  <CAS Number> (3,095)
890-38-0

$$$$
S3853 Perillyl alcohol.cdx
csChFnd80/07171813082D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4227    2.0938    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4299    3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    4.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8543    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0950    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
    4.8615    3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0718    4.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2842    3.4781    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  1  0  0  0  0
M  END
>  <Mol_ID> (3,096)
3567

>  <Formula> (3,096)
C10H16O

>  <MolWeight> (3,096)
152.23344

>  <Item Name> (3,096)
Perillyl alcohol

>  <Catalog Number> (3,096)
S3853

>  <Synonyms> (3,096)
Perilla alcohol, Isocarveol

>  <Target> (3,096)
Others

>  <Form> (3,096)
free base

>  <URL> (3,096)
http://www.selleckchem.com/products/perillyl-alcohol.html

>  <CAS Number> (3,096)
536-59-4

$$$$
S3860 Allicin.cdx
csChFnd80/07171813082D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.7322    0.8980    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    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
    7.3278    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5877    0.5768    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  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,097)
3568

>  <Formula> (3,097)
C6H10OS2

>  <MolWeight> (3,097)
162.273

>  <Item Name> (3,097)
Allicin

>  <Catalog Number> (3,097)
S3860

>  <Synonyms> (3,097)
diallyl thiosulfinate

>  <Target> (3,097)
Others

>  <Form> (3,097)
free base

>  <URL> (3,097)
http://www.selleckchem.com/products/allicin.html

>  <CAS Number> (3,097)
539-86-6

$$$$
S3871 Muscone.cdx
csChFnd80/07171813082D

 17 17  0  0  0  0  0  0  0  0999 V2000
    5.2250    2.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1389    3.1270    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4454    2.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7973    2.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517    4.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6659    2.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4454    4.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9938    3.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6659    0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5951    3.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4756    0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2552    0.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7867    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7839    0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,098)
3569

>  <Formula> (3,098)
C16H30O

>  <MolWeight> (3,098)
238.4088

>  <Item Name> (3,098)
Muscone

>  <Catalog Number> (3,098)
S3871

>  <Synonyms> (3,098)
3-Methylcyclopentadecanone, Methylexaltone

>  <Target> (3,098)
Immunology & Inflammation

>  <Form> (3,098)
free base

>  <URL> (3,098)
http://www.selleckchem.com/products/muscone.html

>  <CAS Number> (3,098)
541-91-3

$$$$
S3762 methylnonylketone.cdx
csChFnd80/07171813082D

 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> (3,099)
3570

>  <Formula> (3,099)
C11H22O

>  <MolWeight> (3,099)
170.29178

>  <Item Name> (3,099)
Methylnonylketone

>  <Catalog Number> (3,099)
S3762

>  <Synonyms> (3,099)
2-Undecanone, IBI-246

>  <Target> (3,099)
Others

>  <Form> (3,099)
free base

>  <URL> (3,099)
http://www.selleckchem.com/products/methylnonylketone.html

>  <CAS Number> (3,099)
112-12-9

$$$$
S3837 Echinocystic acid.cdx
csChFnd80/07171813082D

 37 41  0  0  0  0  0  0  0  0999 V2000
    9.7780    5.5715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5296    6.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7780    4.1614    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9728    6.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9728    4.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3299    5.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5296    7.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5099    3.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9925    7.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1492    3.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0648    5.4052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2956    4.1811    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1059    6.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7780    8.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1059    3.5053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2956    2.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9650    5.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3706    9.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    9.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9650    4.1811    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1059    2.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6969    3.4858    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9306    1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164    2.0755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4826    4.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164    4.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4826    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2340    3.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.0755    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5099    4.6805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9846    2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (3,100)
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Echinocystic acid

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S3837

>  <Synonyms> (3,100)
N/A

>  <Target> (3,100)
Immunology & Inflammation

>  <Form> (3,100)
free base

>  <URL> (3,100)
http://www.selleckchem.com/products/echinocystic-acid.html

>  <CAS Number> (3,100)
510-30-5

$$$$
S3844 Rosavin.cdx
csChFnd80/07171813082D

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3574

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C20H28O10

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Rosavin

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S3844

>  <Synonyms> (3,101)
N/A

>  <Target> (3,101)
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>  <Form> (3,101)
free base

>  <URL> (3,101)
http://www.selleckchem.com/products/rosavin.html

>  <CAS Number> (3,101)
84954-92-7

$$$$
S3846 Eupatilin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,102)
3575

>  <Formula> (3,102)
C18H16O7

>  <MolWeight> (3,102)
344.31544

>  <Item Name> (3,102)
Eupatilin

>  <Catalog Number> (3,102)
S3846

>  <Synonyms> (3,102)
NSC 122413

>  <Target> (3,102)
Others

>  <Form> (3,102)
free base

>  <URL> (3,102)
http://www.selleckchem.com/products/eupatilin.html

>  <CAS Number> (3,102)
22368-21-4

$$$$
S3848 Hydroxytyrosol Acetate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,103)
3576

>  <Formula> (3,103)
C10H12O4

>  <MolWeight> (3,103)
196.19988

>  <Item Name> (3,103)
Hydroxytyrosol Acetate

>  <Catalog Number> (3,103)
S3848

>  <Synonyms> (3,103)
HTy-Ac

>  <Target> (3,103)
Others

>  <Form> (3,103)
free base

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

>  <CAS Number> (3,103)
69039-02-7

$$$$
S4766 Gibberellic acid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,104)
3577

>  <Formula> (3,104)
C19H22O6

>  <MolWeight> (3,104)
346.37438

>  <Item Name> (3,104)
Gibberellic acid

>  <Catalog Number> (3,104)
S4766

>  <Synonyms> (3,104)
Gibberellin, Gibberellin A3, GA3

>  <Target> (3,104)
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>  <Form> (3,104)
free base

>  <URL> (3,104)
http://www.selleckchem.com/products/gibberellic-acid.html

>  <CAS Number> (3,104)
77-06-5

$$$$
S3948 Spermine.cdx
csChFnd80/07171813082D

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    6.0622    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  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> (3,105)
3578

>  <Formula> (3,105)
C10H26N4

>  <MolWeight> (3,105)
202.34024

>  <Item Name> (3,105)
Spermine

>  <Catalog Number> (3,105)
S3948

>  <Synonyms> (3,105)
4,9-Diaza-1,12-dodecanediamine

>  <Target> (3,105)
Others

>  <Form> (3,105)
free base

>  <URL> (3,105)
http://www.selleckchem.com/products/spermine.html

>  <CAS Number> (3,105)
71-44-3

$$$$
S3947 Hydroumbellic acid.cdx
csChFnd80/07171813082D

 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> (3,106)
3579

>  <Formula> (3,106)
C9H10O4

>  <MolWeight> (3,106)
182.1733

>  <Item Name> (3,106)
Hydroumbellic acid

>  <Catalog Number> (3,106)
S3947

>  <Synonyms> (3,106)
2,4-Dihydroxyhydrocinnamic acid

>  <Target> (3,106)
Others

>  <Form> (3,106)
free base

>  <URL> (3,106)
http://www.selleckchem.com/products/hydroumbellic-acid.html

>  <CAS Number> (3,106)
5631-68-5

$$$$
S3946 Mesterolone.cdx
csChFnd80/07171813082D

 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> (3,107)
3580

>  <Formula> (3,107)
C20H32O2

>  <MolWeight> (3,107)
304.46688

>  <Item Name> (3,107)
Mesterolone

>  <Catalog Number> (3,107)
S3946

>  <Synonyms> (3,107)
Androviron, Mesteranum, Proviron

>  <Target> (3,107)
Androgen receptor

>  <Form> (3,107)
free base

>  <URL> (3,107)
http://www.selleckchem.com/products/mesterolone.html

>  <CAS Number> (3,107)
1424-00-6

$$$$
S3945 L-Cycloserine.cdx
csChFnd80/07171813082D

  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> (3,108)
3581

>  <Formula> (3,108)
C3H6N2O2

>  <MolWeight> (3,108)
102.09194

>  <Item Name> (3,108)
L-Cycloserine

>  <Catalog Number> (3,108)
S3945

>  <Synonyms> (3,108)
Levcycloserine, Levcicloserina, Levcycloserinum, (-)-Cycloserine, (S)-Cycloserine

>  <Target> (3,108)
3-ketodihydrosphingosine synthetase

>  <Form> (3,108)
free base

>  <URL> (3,108)
http://www.selleckchem.com/products/l-cycloserine.html

>  <CAS Number> (3,108)
339-72-0

$$$$
S3893 Bornyl acetate.cdx
csChFnd80/07171813082D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4135    2.8407    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0127    1.9180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6825    4.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4957    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581    3.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3335    2.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648    2.1206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6052    5.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815    5.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3200    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6676    1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9590    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5992    0.6804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,109)
3582

>  <Formula> (3,109)
C12H20O2

>  <MolWeight> (3,109)
196.286

>  <Item Name> (3,109)
Bornyl acetate

>  <Catalog Number> (3,109)
S3893

>  <Synonyms> (3,109)
 Isobornyl acetate, Bornyl acetic ether, 2-Camphanol acetate

>  <Target> (3,109)
Immunology & Inflammation

>  <Form> (3,109)
free base

>  <URL> (3,109)
http://www.selleckchem.com/products/bornyl-acetate.html

>  <CAS Number> (3,109)
76-49-3

$$$$
S3979 Zinc Undecylenate.cdx
csChFnd80/07171813082D

 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> (3,110)
3584

>  <Formula> (3,110)
C22H38O4Zn

>  <MolWeight> (3,110)
431.92472

>  <Item Name> (3,110)
Zinc Undecylenate

>  <Catalog Number> (3,110)
S3979

>  <Synonyms> (3,110)
Zinc diundec-10-enoate, Zinc 10-undecenoate

>  <Target> (3,110)
Antifection

>  <Form> (3,110)
zinc salt

>  <URL> (3,110)
http://www.selleckchem.com/products/zinc-undecylenate.html

>  <CAS Number> (3,110)
557-08-4

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/07171813082D

 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
    9.7004    8.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    7.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7019    5.6025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2777    4.2013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234   13.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114   12.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121   10.9181    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249   10.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   10.9194    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497   10.2200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0618   10.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,111)
3585

>  <Formula> (3,111)
C48H82O18

>  <MolWeight> (3,111)
947.15388

>  <Item Name> (3,111)
Ginsenoside Re

>  <Catalog Number> (3,111)
S3811

>  <Synonyms> (3,111)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (3,111)
Others

>  <Form> (3,111)
free base

>  <URL> (3,111)
http://www.selleckchem.com/products/ginsenoside-re.html

>  <CAS Number> (3,111)
52286-59-6

$$$$
S3812 Monocrotaline.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,112)
3586

>  <Formula> (3,112)
C16H23NO6

>  <MolWeight> (3,112)
325.35692

>  <Item Name> (3,112)
Monocrotaline

>  <Catalog Number> (3,112)
S3812

>  <Synonyms> (3,112)
Crotaline

>  <Target> (3,112)
Others

>  <Form> (3,112)
free base

>  <URL> (3,112)
http://www.selleckchem.com/products/monocrotaline.html

>  <CAS Number> (3,112)
315-22-0

$$$$
S3885 Pyrogallol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,113)
3587

>  <Formula> (3,113)
C6H6O3

>  <MolWeight> (3,113)
126.11004

>  <Item Name> (3,113)
Pyrogallol

>  <Catalog Number> (3,113)
S3885

>  <Synonyms> (3,113)
1,2,3-trihydroxybenzene

>  <Target> (3,113)
ROS

>  <Form> (3,113)
free base

>  <URL> (3,113)
http://www.selleckchem.com/products/pyrogallol.html

>  <CAS Number> (3,113)
87-66-1

$$$$
S3886 Quinic acid.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,114)
3588

>  <Formula> (3,114)
C7H12O6

>  <MolWeight> (3,114)
192.16658

>  <Item Name> (3,114)
Quinic acid

>  <Catalog Number> (3,114)
S3886

>  <Synonyms> (3,114)
Chinic acid, Kinic acid

>  <Target> (3,114)
Others

>  <Form> (3,114)
free base

>  <URL> (3,114)
http://www.selleckchem.com/products/quinic-acid.html

>  <CAS Number> (3,114)
77-95-2

$$$$
S3887 L-Rhamnose monohydrate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,115)
3589

>  <Formula> (3,115)
C6H14O6

>  <MolWeight> (3,115)
182.17176

>  <Item Name> (3,115)
L-Rhamnose monohydrate

>  <Catalog Number> (3,115)
S3887

>  <Synonyms> (3,115)
6-deoxy-L-mannose monohydrate

>  <Target> (3,115)
Others

>  <Form> (3,115)
hydrate

>  <URL> (3,115)
http://www.selleckchem.com/products/l-rhamnose-monohydrate.html

>  <CAS Number> (3,115)
6155-35-7

$$$$
S3888 3,4`,5-Trimethoxy-trans-stilbene.cdx
csChFnd80/07171813082D

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3,4',5-Trimethoxy-trans-stilbene

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MR-3

>  <Target> (3,116)
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free base

>  <URL> (3,116)
http://www.selleckchem.com/products/3-4-5-trimethoxy-trans-stilbene.html

>  <CAS Number> (3,116)
22255-22-7

$$$$
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csChFnd80/07171813082D

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>  <Formula> (3,117)
C17H28O5

>  <MolWeight> (3,117)
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>  <Item Name> (3,117)
Arteether

>  <Catalog Number> (3,117)
S3889

>  <Synonyms> (3,117)
N/A

>  <Target> (3,117)
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>  <Form> (3,117)
free base

>  <URL> (3,117)
http://www.selleckchem.com/products/arteether.html

>  <CAS Number> (3,117)
75887-54-6

$$$$
S3890 Leonurine.cdx
csChFnd80/07171813082D

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3592

>  <Formula> (3,118)
C14H21N3O5

>  <MolWeight> (3,118)
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>  <Item Name> (3,118)
Leonurine

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S3890

>  <Synonyms> (3,118)
N/A

>  <Target> (3,118)
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>  <Form> (3,118)
free base

>  <URL> (3,118)
http://www.selleckchem.com/products/leonurine.html

>  <CAS Number> (3,118)
24697-74-3

$$$$
S3891 Vincamine.cdx
csChFnd80/07171813082D

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3593

>  <Formula> (3,119)
C21H26N2O3

>  <MolWeight> (3,119)
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>  <Item Name> (3,119)
Vincamine

>  <Catalog Number> (3,119)
S3891

>  <Synonyms> (3,119)
Angiopac, Devincan, Equipur, Minorin, Novicet, Oxybral, Perval, Sostenil, Tripervan

>  <Target> (3,119)
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>  <Form> (3,119)
free base

>  <URL> (3,119)
http://www.selleckchem.com/products/vincamine.html

>  <CAS Number> (3,119)
1617-90-9

$$$$
S3892 Isopsoralen.cdx
csChFnd80/07171813082D

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>  <Formula> (3,120)
C11H6O3

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Isopsoralen

>  <Catalog Number> (3,120)
S3892

>  <Synonyms> (3,120)
angelicin

>  <Target> (3,120)
Immunology & Inflammation related

>  <Form> (3,120)
free base

>  <URL> (3,120)
http://www.selleckchem.com/products/isopsoralen.html

>  <CAS Number> (3,120)
523-50-2

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/07171813082D

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  1 10  1  0  0  0  0
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 18 13  2  0  0  0  0
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 25 10  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,121)
3595

>  <Formula> (3,121)
C17H15N9

>  <MolWeight> (3,121)
345.3613

>  <Item Name> (3,121)
Savolitinib(AZD6094, HMPL-504)

>  <Catalog Number> (3,121)
S7674

>  <Synonyms> (3,121)
Volitinib

>  <Target> (3,121)
MET

>  <Form> (3,121)
free base

>  <URL> (3,121)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

>  <CAS Number> (3,121)
1313725-88-0

$$$$
S3873 Methyl 4-hydroxycinnamate.cdx
csChFnd80/07171813082D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6332    2.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6352    0.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460    2.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0617    2.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    2.8355    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
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    7.2731    4.2368    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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  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,122)
3596

>  <Formula> (3,122)
C10H10O3

>  <MolWeight> (3,122)
178.1846

>  <Item Name> (3,122)
Methyl 4-hydroxycinnamate

>  <Catalog Number> (3,122)
S3873

>  <Synonyms> (3,122)
OMpCA

>  <Target> (3,122)
Others

>  <Form> (3,122)
free base

>  <URL> (3,122)
http://www.selleckchem.com/products/methyl-4-hydroxycinnamate.html

>  <CAS Number> (3,122)
19367-38-5

$$$$
S3874 Curcumenol.cdx
csChFnd80/07171813082D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.7647    2.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7647    4.3230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4640    4.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6693    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0963    2.5261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6968    5.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    4.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183    3.6623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3070    2.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9212    3.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3311    4.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    6.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  2 18  1  1  0  0  0
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  4  9  1  0  0  0  0
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M  END
>  <Mol_ID> (3,123)
3597

>  <Formula> (3,123)
C15H22O2

>  <MolWeight> (3,123)
234.33398

>  <Item Name> (3,123)
Curcumenol

>  <Catalog Number> (3,123)
S3874

>  <Synonyms> (3,123)
N/A

>  <Target> (3,123)
NF-¦ÊB

>  <Form> (3,123)
free base

>  <URL> (3,123)
http://www.selleckchem.com/products/curcumenol.html

>  <CAS Number> (3,123)
19431-84-6

$$$$
S3875 Alpinetin.cdx
csChFnd80/07171813082D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6848    2.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1205    2.7652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1218    4.1729    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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  3  7  1  0  0  0  0
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  7 11  1  0  0  0  0
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 13 16  1  0  0  0  0
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 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (3,124)
3598

>  <Formula> (3,124)
C16H14O4

>  <MolWeight> (3,124)
270.27996

>  <Item Name> (3,124)
Alpinetin

>  <Catalog Number> (3,124)
S3875

>  <Synonyms> (3,124)
N/A

>  <Target> (3,124)
Others

>  <Form> (3,124)
free base

>  <URL> (3,124)
http://www.selleckchem.com/products/alpinetin.html

>  <CAS Number> (3,124)
36052-37-6

$$$$
S3877 Lysionotin.cdx
csChFnd80/07171813082D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0615    2.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4251    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    4.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    6.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  7  1  0  0  0  0
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 10 12  1  0  0  0  0
 14 15  2  0  0  0  0
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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (3,125)
3599

>  <Formula> (3,125)
C18H16O7

>  <MolWeight> (3,125)
344.31544

>  <Item Name> (3,125)
Lysionotin

>  <Catalog Number> (3,125)
S3877

>  <Synonyms> (3,125)
N/A

>  <Target> (3,125)
Immunology & Inflammation related

>  <Form> (3,125)
free base

>  <URL> (3,125)
http://www.selleckchem.com/products/lysionotin.html

>  <CAS Number> (3,125)
152743-19-6

$$$$
S3878 Bavachinin.cdx
csChFnd80/07171813082D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.2761    2.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2761    4.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4953    2.0979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0613    4.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7086    2.7984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8531    2.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9183    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1308    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> (3,126)
3600

>  <Formula> (3,126)
C21H22O4

>  <MolWeight> (3,126)
338.39698

>  <Item Name> (3,126)
Bavachinin

>  <Catalog Number> (3,126)
S3878

>  <Synonyms> (3,126)
7-O-Methylbavachin

>  <Target> (3,126)
PPAR

>  <Form> (3,126)
free base

>  <URL> (3,126)
http://www.selleckchem.com/products/bavachinin.html

>  <CAS Number> (3,126)
19879-30-2

$$$$
S3881 Scopoletin.cdx
csChFnd80/07171813082D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8567    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4241    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    2.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2810    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4938    0.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,127)
3601

>  <Formula> (3,127)
C10H8O4

>  <MolWeight> (3,127)
192.16812

>  <Item Name> (3,127)
Scopoletin

>  <Catalog Number> (3,127)
S3881

>  <Synonyms> (3,127)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (3,127)
Immunology & Inflammation related

>  <Form> (3,127)
free base

>  <URL> (3,127)
http://www.selleckchem.com/products/scopoletin.html

>  <CAS Number> (3,127)
92-61-5

$$$$
S3883 Protopine.cdx
csChFnd80/07171813082D

 26 30  0  0  0  0  0  0  0  0999 V2000
    4.5804    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    4.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690    1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1533    3.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1555    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8211    3.9267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8247    1.6614    0.0000 O   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
    5.7939    1.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0052    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0052    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    4.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2177    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4301    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2177    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6425    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6425    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4301    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2177    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9740    3.7674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7969    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9740    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7945    5.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2177    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
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  1  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  2  0  0  0  0
 17 12  1  0  0  0  0
 16 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 17  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 19  1  0  0  0  0
 13 25  2  0  0  0  0
 14 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,128)
3602

>  <Formula> (3,128)
C20H19NO5

>  <MolWeight> (3,128)
353.36856

>  <Item Name> (3,128)
Protopine

>  <Catalog Number> (3,128)
S3883

>  <Synonyms> (3,128)
Corydinine, Fumarine, Biflorine, Macleyine

>  <Target> (3,128)
Calcium channel/Histamine Receptor

>  <Form> (3,128)
free base

>  <URL> (3,128)
http://www.selleckchem.com/products/protopine.html

>  <CAS Number> (3,128)
130-86-9

$$$$
S3884 Jatrorrhizine.cdx
csChFnd80/07171813082D

 25 28  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
    8.4871    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
    8.4871    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
    8.4871    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
    9.6995    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
    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
    9.6995    8.4000    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (3,129)
3603

>  <Formula> (3,129)
C20H20NO4+

>  <MolWeight> (3,129)
338.3771

>  <Item Name> (3,129)
Jatrorrhizine

>  <Catalog Number> (3,129)
S3884

>  <Synonyms> (3,129)
neprotin, Yatrorizine

>  <Target> (3,129)
AChE

>  <Form> (3,129)
free base

>  <URL> (3,129)
http://www.selleckchem.com/products/jatrorrhizine.html

>  <CAS Number> (3,129)
3621-38-3

$$$$
S3800 Lycorine hydrochloride.cdx
csChFnd80/07171813082D

 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
    0.8226    0.2669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5624    3.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    3.5133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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> (3,130)
3604

>  <Formula> (3,130)
C16H18ClNO4

>  <MolWeight> (3,130)
323.77142

>  <Item Name> (3,130)
Lycorine hydrochloride

>  <Catalog Number> (3,130)
S3800

>  <Synonyms> (3,130)
Galanthidine hydrochloride, Amarylline hydrochloride, Narcissine hydrochloride, Licorine hydrochlorid

>  <Target> (3,130)
HCV proteases

>  <Form> (3,130)
hydrochloride

>  <URL> (3,130)
http://www.selleckchem.com/products/lycorine-hydrochloride.html

>  <CAS Number> (3,130)
2188-68-3

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/07171813082D

 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
   10.9119    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8865    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4865    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.9124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4871    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    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.5124    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
    2.4249    0.5124    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
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6496    1.9007    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
  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
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 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> (3,131)
3605

>  <Formula> (3,131)
C14H27NaO5S

>  <MolWeight> (3,131)
330.41595

>  <Item Name> (3,131)
Sodium Houttuyfonate

>  <Catalog Number> (3,131)
S3801

>  <Synonyms> (3,131)
N/A

>  <Target> (3,131)
Antifection

>  <Form> (3,131)
sodium salt

>  <URL> (3,131)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

>  <CAS Number> (3,131)
1847-58-1

$$$$
S3802 Trigonelline Hydrochloride.cdx
csChFnd80/07171813082D

 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> (3,132)
3606

>  <Formula> (3,132)
C7H8ClNO2

>  <MolWeight> (3,132)
173.59692

>  <Item Name> (3,132)
Trigonelline Hydrochloride

>  <Catalog Number> (3,132)
S3802

>  <Synonyms> (3,132)
Nicotinic acid N-methylbetaine Hydrochloride, Coffearine Hydrochloride, Coffearine Hydrochloride

>  <Target> (3,132)
Others

>  <Form> (3,132)
chloride

>  <URL> (3,132)
http://www.selleckchem.com/products/trigonelline-hydrochloride.html

>  <CAS Number> (3,132)
6138-41-6

$$$$
S3803 Angelic acid.cdx
csChFnd80/07171813082D

  7  6  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,133)
3607

>  <Formula> (3,133)
C5H8O2

>  <MolWeight> (3,133)
100.11582

>  <Catalog Number> (3,133)
S3803

>  <Synonyms> (3,133)
(Z)-2-Methylbut-2-enoic acid

>  <Target> (3,133)
Others

>  <Form> (3,133)
free base

>  <URL> (3,133)
http://www.selleckchem.com/products/angelic-acid.html

>  <CAS Number> (3,133)
565-63-9

$$$$
S3804 Alpha-Mangostin.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (3,134)
3608

>  <Formula> (3,134)
C24H26O6

>  <MolWeight> (3,134)
410.45964

>  <Item Name> (3,134)
Alpha-Mangostin

>  <Catalog Number> (3,134)
S3804

>  <Synonyms> (3,134)
N/A

>  <Target> (3,134)
Others

>  <Form> (3,134)
free base

>  <URL> (3,134)
http://www.selleckchem.com/products/alpha-mangostin.html

>  <CAS Number> (3,134)
6147-11-1

$$$$
S3807 Dehydroandrographolide.cdx
csChFnd80/07171813082D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,135)
3609

>  <Formula> (3,135)
C20H28O4

>  <MolWeight> (3,135)
332.43392

>  <Item Name> (3,135)
Dehydroandrographolide

>  <Catalog Number> (3,135)
S3807

>  <Synonyms> (3,135)
N/A

>  <Target> (3,135)
Others

>  <Form> (3,135)
free base

>  <URL> (3,135)
http://www.selleckchem.com/products/dehydroandrographolide.html

>  <CAS Number> (3,135)
134418-28-3

$$$$
S3808 Mangiferin.cdx
csChFnd80/07171813082D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  1  0  0  0
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M  END
>  <Mol_ID> (3,136)
3610

>  <Formula> (3,136)
C19H18O11

>  <MolWeight> (3,136)
422.33962

>  <Item Name> (3,136)
Mangiferin

>  <Catalog Number> (3,136)
S3808

>  <Synonyms> (3,136)
Alpizarin, Chinomin, Hedysarid

>  <Target> (3,136)
Others

>  <Form> (3,136)
free base

>  <URL> (3,136)
http://www.selleckchem.com/products/mangiferin.html

>  <CAS Number> (3,136)
4773-96-0

$$$$
S3809 Imperatorin.cdx
csChFnd80/07171813082D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,137)
3611

>  <Formula> (3,137)
C16H14O4

>  <MolWeight> (3,137)
270.27996

>  <Item Name> (3,137)
Imperatorin

>  <Catalog Number> (3,137)
S3809

>  <Synonyms> (3,137)
Ammidin, Marmelosin, Pentosalen, 8-Isoamylenoxypsoralen, 8-Isopentenyloxypsoralene

>  <Target> (3,137)
Calcium channel

>  <Form> (3,137)
free base

>  <URL> (3,137)
http://www.selleckchem.com/products/imperatorin.html

>  <CAS Number> (3,137)
482-44-0

$$$$
S3810 Scutellarin.cdx
csChFnd80/07171813082D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,138)
3612

>  <Formula> (3,138)
C21H18O12

>  <MolWeight> (3,138)
462.36042

>  <Item Name> (3,138)
Scutellarin

>  <Catalog Number> (3,138)
S3810

>  <Synonyms> (3,138)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (3,138)
Others

>  <Form> (3,138)
free base

>  <URL> (3,138)
http://www.selleckchem.com/products/scutellarin.html

>  <CAS Number> (3,138)
27740-01-8

$$$$
S3847 Panaxatriol.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,139)
3614

>  <Formula> (3,139)
C30H52O4

>  <MolWeight> (3,139)
476.73148

>  <Item Name> (3,139)
Panaxatriol

>  <Catalog Number> (3,139)
S3847

>  <Synonyms> (3,139)
N/A

>  <Target> (3,139)
Others

>  <Form> (3,139)
free base

>  <URL> (3,139)
http://www.selleckchem.com/products/panaxatriol.html

>  <CAS Number> (3,139)
32791-84-7

$$$$
S3915 Gracillin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,140)
3615

>  <Formula> (3,140)
C45H72O17

>  <MolWeight> (3,140)
885.04298

>  <Item Name> (3,140)
Gracillin

>  <Catalog Number> (3,140)
S3915

>  <Synonyms> (3,140)
N/A

>  <Target> (3,140)
Others

>  <Form> (3,140)
free base

>  <URL> (3,140)
http://www.selleckchem.com/products/gracillin.html

>  <CAS Number> (3,140)
19083-00-2

$$$$
S3916 Macranthoidin B.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,141)
3616

>  <Formula> (3,141)
C65H106O32

>  <MolWeight> (3,141)
1399.51794

>  <Item Name> (3,141)
Macranthoidin B

>  <Catalog Number> (3,141)
S3916

>  <Synonyms> (3,141)
 Macranthoiside I

>  <Target> (3,141)
Others

>  <Form> (3,141)
free base

>  <URL> (3,141)
http://www.selleckchem.com/products/macranthoidin-b.html

>  <CAS Number> (3,141)
136849-88-2

$$$$
S3919 Hederacoside C.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,142)
3617

>  <Formula> (3,142)
C59H96O26

>  <MolWeight> (3,142)
1221.37794

>  <Item Name> (3,142)
Hederacoside C

>  <Catalog Number> (3,142)
S3919

>  <Synonyms> (3,142)
Kalopanaxsaponin B

>  <Target> (3,142)
Others

>  <Form> (3,142)
free base

>  <URL> (3,142)
http://www.selleckchem.com/products/hederacoside-c.html

>  <CAS Number> (3,142)
14216-03-6

$$$$
S3813 Bakuchiol.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,143)
3618

>  <Formula> (3,143)
C18H24O

>  <MolWeight> (3,143)
256.38256

>  <Item Name> (3,143)
Bakuchiol

>  <Catalog Number> (3,143)
S3813

>  <Synonyms> (3,143)
(S)-(+)-Bakuchiol

>  <Target> (3,143)
Immunology & Inflammation related

>  <Form> (3,143)
free base

>  <URL> (3,143)
http://www.selleckchem.com/products/bakuchiol.html

>  <CAS Number> (3,143)
10309-37-2

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/07171813082D

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 49 54  1  6  0  0  0
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M  END
>  <Mol_ID> (3,144)
3619

>  <Formula> (3,144)
C41H68O14

>  <MolWeight> (3,144)
784.97022

>  <Item Name> (3,144)
Astragaloside IV

>  <Catalog Number> (3,144)
S3901

>  <Synonyms> (3,144)
AST-IV, AS-IV

>  <Target> (3,144)
Others

>  <Form> (3,144)
free base

>  <URL> (3,144)
http://www.selleckchem.com/products/sastragaloside-iv.html

>  <CAS Number> (3,144)
84687-43-4

$$$$
Tat-beclin 1 (Tat-BECN1).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,145)
3620

>  <Formula> (3,145)
C164H251N57O45

>  <MolWeight> (3,145)
3741.10264

>  <Item Name> (3,145)
Tat-beclin 1 (Tat-BECN1)

>  <Catalog Number> (3,145)
S8595

>  <Synonyms> (3,145)
N/A

>  <Target> (3,145)
Beclin 1

>  <Form> (3,145)
free base

>  <URL> (3,145)
http://www.selleckchem.com/products/tat-beclin-1-tat-becn1.html

>  <CAS Number> (3,145)
No

$$$$
S3778 Patchouli alcohol.cdx
csChFnd80/07171813082D

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(-)-Patchouli Alcohol, Patchoulol, Patchouli camphor

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Immunology & Inflammation related

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free base

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5986-55-0

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314761-14-3

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S8627

>  <Synonyms> (3,150)
SIRT6-IN-1

>  <Target> (3,150)
SIRT6,SIRT1,SIRT2

>  <Form> (3,150)
free base

>  <URL> (3,150)
http://www.selleckchem.com/products/oss-128167.html

>  <CAS Number> (3,150)
887686-02-4

$$$$
S3789 Tiglic acid.cdx
csChFnd80/07171813082D

  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> (3,151)
3626

>  <Formula> (3,151)
C5H8O2

>  <MolWeight> (3,151)
100.11582

>  <Item Name> (3,151)
Tiglic acid

>  <Catalog Number> (3,151)
S3789

>  <Synonyms> (3,151)
Cevadic acid, Sabadillic acid, Tiglinic acid

>  <Target> (3,151)
Others

>  <Form> (3,151)
free base

>  <URL> (3,151)
http://www.selleckchem.com/products/tiglic-acid.html

>  <CAS Number> (3,151)
80-59-1

$$$$
S3790 Methyl gallate.cdx
csChFnd80/07171813082D

 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> (3,152)
3627

>  <Formula> (3,152)
C8H8O5

>  <MolWeight> (3,152)
184.14612

>  <Item Name> (3,152)
Methyl gallate

>  <Catalog Number> (3,152)
S3790

>  <Synonyms> (3,152)
Methylgallate, Gallic acid methyl ester, Gallicin

>  <Target> (3,152)
Immunology & Inflammation related

>  <Form> (3,152)
free base

>  <URL> (3,152)
http://www.selleckchem.com/products/methyl-gallate.html

>  <CAS Number> (3,152)
99-24-1

$$$$
S3791 Succinic acid.cdx
csChFnd80/07171813082D

  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> (3,153)
3628

>  <Formula> (3,153)
C4H6O4

>  <MolWeight> (3,153)
118.08804

>  <Item Name> (3,153)
Succinic acid

>  <Catalog Number> (3,153)
S3791

>  <Synonyms> (3,153)
1,4-Butandioic Acid; 1,2-Ethanedicarboxylic acid; Amber acid; Asuccin; Butanedioic acid

>  <Target> (3,153)
Others

>  <Form> (3,153)
free base

>  <URL> (3,153)
http://www.selleckchem.com/products/succinic-acid.html

>  <CAS Number> (3,153)
110-15-6

$$$$
S3794 Palmitic acid.cdx
csChFnd80/07171813082D

 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> (3,154)
3630

>  <Formula> (3,154)
C16H32O2

>  <MolWeight> (3,154)
256.42408

>  <Item Name> (3,154)
Palmitic acid

>  <Catalog Number> (3,154)
S3794

>  <Synonyms> (3,154)
hexadecanoic acid, Cetylic acid

>  <Target> (3,154)
Others

>  <Form> (3,154)
free base

>  <URL> (3,154)
http://www.selleckchem.com/products/palmitic-acid.html

>  <CAS Number> (3,154)
57-10-3

$$$$
S3795 Phloretic acid.cdx
csChFnd80/07171813082D

 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> (3,155)
3631

>  <Formula> (3,155)
C9H10O3

>  <MolWeight> (3,155)
166.1739

>  <Item Name> (3,155)
Phloretic acid

>  <Catalog Number> (3,155)
S3795

>  <Synonyms> (3,155)
Desaminotyrosine, Hydro-p-coumaric acid, Phloretate, 3-(4-Hydroxyphenyl)propanoic acid

>  <Target> (3,155)
Others

>  <Form> (3,155)
free base

>  <URL> (3,155)
http://www.selleckchem.com/products/phloretic-acid.html

>  <CAS Number> (3,155)
501-97-3

$$$$
S3796 Rebaudioside A.cdx
csChFnd80/07171813082D

 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
  6 13  1  6  0  0  0
  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
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 12 18  1  0  0  0  0
 19 15  1  1  0  0  0
 17 20  1  0  0  0  0
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 17 22  1  1  0  0  0
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 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
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 30 25  1  1  0  0  0
 27 31  1  1  0  0  0
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M  END
>  <Mol_ID> (3,156)
3632

>  <Formula> (3,156)
C44H70O23

>  <MolWeight> (3,156)
967.0128

>  <Item Name> (3,156)
Rebaudioside A

>  <Catalog Number> (3,156)
S3796

>  <Synonyms> (3,156)
Reb A, Glycoside A3, Stevioside A3

>  <Target> (3,156)
Others

>  <Form> (3,156)
free base

>  <URL> (3,156)
http://www.selleckchem.com/products/rebaudioside-a.html

>  <CAS Number> (3,156)
58543-16-1

$$$$
S3797 Helicide.cdx
csChFnd80/07171813082D

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    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
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    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
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  1  4  1  0  0  0  0
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  3  6  1  0  0  0  0
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  7 13  1  6  0  0  0
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  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  6  0  0  0
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 14 18  2  0  0  0  0
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 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> (3,157)
3633

>  <Formula> (3,157)
C13H16O7

>  <MolWeight> (3,157)
284.26194

>  <Item Name> (3,157)
Helicide

>  <Catalog Number> (3,157)
S3797

>  <Synonyms> (3,157)
4-formylphenyl-O-¦Â-d-allopyranoside

>  <Target> (3,157)
Others

>  <Form> (3,157)
free base

>  <URL> (3,157)
http://www.selleckchem.com/products/helicide.html

>  <CAS Number> (3,157)
80154-34-3

$$$$
S3799 Gentisic acid.cdx
csChFnd80/07171813082D

 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
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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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M  END
>  <Mol_ID> (3,158)
3635

>  <Formula> (3,158)
C7H6O4

>  <MolWeight> (3,158)
154.12014

>  <Item Name> (3,158)
Gentisic acid

>  <Catalog Number> (3,158)
S3799

>  <Synonyms> (3,158)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (3,158)
Immunology & Inflammation related

>  <Form> (3,158)
free base

>  <URL> (3,158)
http://www.selleckchem.com/products/gentisic-acid.html

>  <CAS Number> (3,158)
490-79-9

$$$$
H3B-6527.cdx
csChFnd80/07171813082D

 43 46  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    7.0000    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
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.3000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  7  1  0  0  0  0
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  9 21  1  0  0  0  0
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 26 21  1  0  0  0  0
 23 27  1  0  0  0  0
 27 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
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
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 36 37  2  0  0  0  0
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 36 40  1  0  0  0  0
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 41 42  1  0  0  0  0
 40 43  1  0  0  0  0
M  END
>  <Mol_ID> (3,159)
3636

>  <Formula> (3,159)
C29H34Cl2N8O4

>  <MolWeight> (3,159)
629.53746

>  <Item Name> (3,159)
H3B-6527

>  <Catalog Number> (3,159)
S8675

>  <Synonyms> (3,159)
N/A

>  <Target> (3,159)
FGFR4

>  <Form> (3,159)
free base

>  <URL> (3,159)
http://www.selleckchem.com/products/h3b-6527.html

>  <CAS Number> (3,159)
1702259-66-2

$$$$
S3806 Angelic anhydride.cdx
csChFnd80/07171813082D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4284    2.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8567    2.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0689    1.3815    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
  5  8  1  0  0  0  0
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  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,160)
3637

>  <Formula> (3,160)
C10H14O3

>  <MolWeight> (3,160)
182.21636

>  <Item Name> (3,160)
Angelic anhydride

>  <Catalog Number> (3,160)
S3806

>  <Synonyms> (3,160)
2-Methylisocrotonic Anhydride, (Z)-2-Methylbut-2-enoic anhydride

>  <Target> (3,160)
Others

>  <Form> (3,160)
free base

>  <URL> (3,160)
http://www.selleckchem.com/products/angelic-anhydride.html

>  <CAS Number> (3,160)
94487-74-8

$$$$
S3920 7¦Â-Hydroxylathyrol.cdx
csChFnd80/07171813082D

 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
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    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
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$$$$
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csChFnd80/07171813082D

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free base

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

>  <CAS Number> (3,162)
34420-19-4

$$$$
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csChFnd80/07171813082D

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52705-93-8

$$$$
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  7 38  1  6  0  0  0
M  END
>  <Mol_ID> (3,164)
3641

>  <Formula> (3,164)
C23H28O13

>  <MolWeight> (3,164)
512.46062

>  <Item Name> (3,164)
Picroside II

>  <Catalog Number> (3,164)
S3765

>  <Synonyms> (3,164)
6-Vanilloylcatalpol, Vanilloyl catalpol

>  <Target> (3,164)
Immunology & Inflammation related

>  <Form> (3,164)
free base

>  <URL> (3,164)
http://www.selleckchem.com/products/picroside-ii.html

>  <CAS Number> (3,164)
39012-20-9

$$$$
S3767 10,11-Dimethoxystrychnine.cdx
csChFnd80/07171813082D

 32 38  0  0  0  0  0  0  0  0999 V2000
    6.8157    4.6794    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4181    3.5971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2869    4.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4847    5.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2726    2.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1888    4.7048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0422    1.0194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    4.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
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 23 27  1  0  0  0  0
 25 26  1  0  0  0  0
 24 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (3,165)
3642

>  <Formula> (3,165)
C23H26N2O4

>  <MolWeight> (3,165)
394.46354

>  <Item Name> (3,165)
10,11-Dimethoxystrychnine

>  <Catalog Number> (3,165)
S3767

>  <Synonyms> (3,165)
Brucine anhydrous, Brucine

>  <Target> (3,165)
Others

>  <Form> (3,165)
free base

>  <URL> (3,165)
http://www.selleckchem.com/products/10-11-dimethoxystrychnine.html

>  <CAS Number> (3,165)
357-57-3

$$$$
S3681.cdx
csChFnd80/07171813082D

 34 35  0  0  0  0  0  0  0  0999 V2000
    6.1163    2.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1163    3.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3307    1.4168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116    1.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3307    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5354    2.1301    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6876    2.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6876    3.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5354    3.4600    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
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 23 24  1  0  0  0  0
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 25 27  1  0  0  0  0
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 29 30  1  0  0  0  0
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 32 33  2  0  0  0  0
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M  END
>  <Mol_ID> (3,166)
3643

>  <Formula> (3,166)
C31H52O3

>  <MolWeight> (3,166)
472.74278

>  <Item Name> (3,166)
Vitamin E Acetate

>  <Catalog Number> (3,166)
S3681

>  <Synonyms> (3,166)
Tocopherol acetate

>  <Target> (3,166)
Others

>  <Form> (3,166)
free base

>  <URL> (3,166)
http://www.selleckchem.com/products/vitamin-e-acetate.html

>  <CAS Number> (3,166)
58-95-7

$$$$
S4754 Betulin.cdx
csChFnd80/07171813082D

 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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   11.8847    5.4307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15 19  1  0  0  0  0
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 19 35  1  6  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  1  0  0  0
 23 24  1  0  0  0  0
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 24 36  1  6  0  0  0
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 27 30  1  6  0  0  0
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 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (3,167)
3644

>  <Formula> (3,167)
C30H50O2

>  <MolWeight> (3,167)
442.7168

>  <Item Name> (3,167)
Betulin

>  <Catalog Number> (3,167)
S4754

>  <Synonyms> (3,167)
betulinol, betuline, betulinic alcohol

>  <Target> (3,167)
Others

>  <Form> (3,167)
free base

>  <URL> (3,167)
http://www.selleckchem.com/products/betulin.html

>  <CAS Number> (3,167)
473-98-3

$$$$
S3925 (-)-Epicatechin gallate.cdx
csChFnd80/07171813082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (3,168)
3650

>  <Formula> (3,168)
C22H18O10

>  <MolWeight> (3,168)
442.37232

>  <Item Name> (3,168)
(-)-Epicatechin gallate

>  <Catalog Number> (3,168)
S3925

>  <Synonyms> (3,168)
(-)-ECG, (-)-Epicatechin 3-gallate, (-)-Epicatechin-3-O-gallate

>  <Target> (3,168)
Others

>  <Form> (3,168)
free base

>  <URL> (3,168)
http://www.selleckchem.com/products/epicatechin-gallate.html

>  <CAS Number> (3,168)
1257-08-5

$$$$
S3926 Forsythin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,169)
3651

>  <Formula> (3,169)
C27H34O11

>  <MolWeight> (3,169)
534.55226

>  <Item Name> (3,169)
Forsythin

>  <Catalog Number> (3,169)
S3926

>  <Synonyms> (3,169)
Phillyrin

>  <Target> (3,169)
Others

>  <Form> (3,169)
free base

>  <URL> (3,169)
http://www.selleckchem.com/products/forsythin.html

>  <CAS Number> (3,169)
487-41-2

$$$$
S3927 Swertiamarin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,170)
3652

>  <Formula> (3,170)
C16H22O10

>  <MolWeight> (3,170)
374.33988

>  <Item Name> (3,170)
Swertiamarin

>  <Catalog Number> (3,170)
S3927

>  <Synonyms> (3,170)
Swertiamarin

>  <Target> (3,170)
Others

>  <Form> (3,170)
free base

>  <URL> (3,170)
http://www.selleckchem.com/products/swertiamarin.html

>  <CAS Number> (3,170)
17388-39-5

$$$$
S3928 Baccatin ¢ó.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,171)
3653

>  <Formula> (3,171)
C31H38O11

>  <MolWeight> (3,171)
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>  <Item Name> (3,171)
Baccatin ¢ó

>  <Catalog Number> (3,171)
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>  <Synonyms> (3,171)
N/A

>  <Target> (3,171)
Others

>  <Form> (3,171)
free base

>  <URL> (3,171)
http://www.selleckchem.com/products/Baccatin-iii.html

>  <CAS Number> (3,171)
27548-93-2

$$$$
S3982 Batyl alcohol.cdx
csChFnd80/07171813082D

 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
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   23.0363    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  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  3  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
   25.4611    2.1000    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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    1.4000    0.0000 O   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    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
    4.8497    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    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
  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  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
 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
M  END
>  <Mol_ID> (3,172)
3658

>  <Formula> (3,172)
C21H44O3

>  <MolWeight> (3,172)
344.57226

>  <Item Name> (3,172)
Batyl alcohol

>  <Catalog Number> (3,172)
S3982

>  <Synonyms> (3,172)
Batilol, Stearyl monoglyceride, 1-O-Octadecylglycerol, Batilolum

>  <Target> (3,172)
Immunology & Inflammation related

>  <Form> (3,172)
free base

>  <URL> (3,172)
http://www.selleckchem.com/products/batyl-alcohol.html

>  <CAS Number> (3,172)
544-62-7

$$$$
S3872 Guaiacol.cdx
csChFnd80/07171813082D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4266    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,173)
3659

>  <Formula> (3,173)
C7H8O2

>  <MolWeight> (3,173)
124.13722

>  <Item Name> (3,173)
Guaiacol

>  <Catalog Number> (3,173)
S3872

>  <Synonyms> (3,173)
o-methoxyphenol, 2-hydroxyanisole, O-methylcatechol

>  <Target> (3,173)
Others

>  <Form> (3,173)
free base

>  <URL> (3,173)
http://www.selleckchem.com/products/guaiacol.html

>  <CAS Number> (3,173)
90-05-1

$$$$
S3906 2,3,5,4-tetrahydroxyl diphenylethylene-2-o-glucoside.cdx
csChFnd80/07171813082D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  7  8  1  0  0  0  0
  5  9  1  1  0  0  0
  4 10  1  6  0  0  0
  3 11  1  1  0  0  0
  2 12  1  6  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,174)
3660

>  <Formula> (3,174)
C20H22O9

>  <MolWeight> (3,174)
406.38328

>  <Item Name> (3,174)
Astragalus polyphenols

>  <Catalog Number> (3,174)
S3906

>  <Synonyms> (3,174)
N/A

>  <Target> (3,174)
Immunology & Inflammation related

>  <Form> (3,174)
free base

>  <URL> (3,174)
http://www.selleckchem.com/products/astragalus-polyphenols.html

>  <CAS Number> (3,174)
82373-94-2

$$$$
S3907 Bulleyaconi cine A.cdx
csChFnd80/07171813082D

 49 55  0  0  0  0  0  0  0  0999 V2000
    3.8321    5.2897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5325    3.9457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0774    6.4974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0808    5.8891    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8241    6.2113    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2385    3.5506    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4044    2.8878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7620    2.8878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9388    5.1035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3023    5.2761    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3034    7.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5348    5.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240    7.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    2.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215    4.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8050    1.5801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6156    3.9594    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8807    6.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2830    6.2660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6337    7.4646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4996    8.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713    1.1852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    0.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411    4.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7688    2.8740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1670    7.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0085    6.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411    6.7472    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6337    8.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5261    5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5112    0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9267    0.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8972    4.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6543    3.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6314    8.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4421    3.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    2.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6021    2.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1470    1.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3024    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
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  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
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  4 11  1  0  0  0  0
  4 47  1  1  0  0  0
  5 12  1  0  0  0  0
  5 13  1  6  0  0  0
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  6 16  1  0  0  0  0
  7 17  1  6  0  0  0
  7  8  1  0  0  0  0
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 13 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
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 18 26  1  1  0  0  0
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 20 21  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  1  0  0  0
 23 31  1  0  0  0  0
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 26 32  1  0  0  0  0
 28 33  1  0  0  0  0
 28 34  2  0  0  0  0
 29 35  1  1  0  0  0
 32 36  1  0  0  0  0
 32 37  2  0  0  0  0
 33 38  2  0  0  0  0
 33 39  1  0  0  0  0
 35 40  1  0  0  0  0
 38 41  1  0  0  0  0
 39 42  2  0  0  0  0
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 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
>  <Mol_ID> (3,175)
3661

>  <Formula> (3,175)
C35H49NO9

>  <MolWeight> (3,175)
627.76486

>  <Item Name> (3,175)
Bulleyaconi cine A

>  <Catalog Number> (3,175)
S3907

>  <Synonyms> (3,175)
Bulleyaconitine A, Bulleyaconi cine A

>  <Target> (3,175)
Sodium channel

>  <Form> (3,175)
free base

>  <URL> (3,175)
http://www.selleckchem.com/products/bulleyaconi-cine-a.html

>  <CAS Number> (3,175)
107668-79-1

$$$$
S3908 4'-Demethylpodophyllotoxin.cdx
csChFnd80/07171813082D

 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
    4.5874    7.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.9973    3.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8013    8.4107    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3519    8.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    6.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <MolWeight> (3,176)
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>  <Item Name> (3,176)
4'-Demethylpodophyllotoxin

>  <Catalog Number> (3,176)
S3908

>  <Synonyms> (3,176)
N/A

>  <Target> (3,176)
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>  <Form> (3,176)
free base

>  <URL> (3,176)
http://www.selleckchem.com/products/4-demethylpodophyllotoxin.html

>  <CAS Number> (3,176)
40505-27-9

$$$$
S3909 Catalpol.cdx
csChFnd80/07171813082D

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>  <Item Name> (3,177)
Catalpol

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S3909

>  <Synonyms> (3,177)
Catalpol, catalpinoside, Digitalis purpurea L

>  <Target> (3,177)
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>  <Form> (3,177)
free base

>  <URL> (3,177)
http://www.selleckchem.com/products/catalpol.html

>  <CAS Number> (3,177)
2415-24-9

$$$$
S3910 4',7-Dimethoxyisoflavone.cdx
csChFnd80/07171813082D

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3664

>  <Formula> (3,178)
C17H14O4

>  <MolWeight> (3,178)
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>  <Item Name> (3,178)
4',7-Dimethoxyisoflavone

>  <Catalog Number> (3,178)
S3910

>  <Synonyms> (3,178)
N/A

>  <Target> (3,178)
Others

>  <Form> (3,178)
free base

>  <URL> (3,178)
http://www.selleckchem.com/products/4-7-dimethoxyisoflavone.html

>  <CAS Number> (3,178)
1157-39-7

$$$$
S3922 (-)-epigallocatechin.cdx
csChFnd80/07171813082D

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3665

>  <Formula> (3,179)
C15H14O7

>  <MolWeight> (3,179)
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>  <Item Name> (3,179)
(-)-epigallocatechin

>  <Catalog Number> (3,179)
S3922

>  <Synonyms> (3,179)
N/A

>  <Target> (3,179)
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>  <Form> (3,179)
free base

>  <URL> (3,179)
http://www.selleckchem.com/products/neg-rotation-epigallocatechin.html

>  <CAS Number> (3,179)
970-74-1

$$$$
S3923 Ginsenoside Rg1.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,180)
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>  <Formula> (3,180)
C42H72O14

>  <MolWeight> (3,180)
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>  <Item Name> (3,180)
Ginsenoside Rg1

>  <Catalog Number> (3,180)
S3923

>  <Synonyms> (3,180)
Ginsenoside A2, Panaxoside A, Panaxoside Rg1, Sanchinoside C1, Sanchinoside Rg1

>  <Target> (3,180)
Others

>  <Form> (3,180)
free base

>  <URL> (3,180)
http://www.selleckchem.com/products/ginsenoside-rg1.html

>  <CAS Number> (3,180)
22427-39-0

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,181)
3667

>  <Formula> (3,181)
C54H92O23

>  <MolWeight> (3,181)
1109.29448

>  <Item Name> (3,181)
Ginsenoside Rb1

>  <Catalog Number> (3,181)
S3924

>  <Synonyms> (3,181)
Gypenoside ¢ó

>  <Target> (3,181)
Others

>  <Form> (3,181)
free base

>  <URL> (3,181)
http://www.selleckchem.com/products/ginsenoside-rb1.html

>  <CAS Number> (3,181)
41753-43-9

$$$$
4'-Demethylepipodophyllotoxin.cdx
csChFnd80/07171813082D

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 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  9  1  0  0  0  0
  9 14  1  6  0  0  0
  7 15  1  6  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
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 11 26  2  0  0  0  0
  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  2  1  0  0  0  0
 10 30  1  1  0  0  0
  8 31  1  1  0  0  0
M  END
>  <Mol_ID> (3,182)
3668

>  <Formula> (3,182)
C21H20O8

>  <MolWeight> (3,182)
400.3787

>  <Item Name> (3,182)
4'-Demethylepipodophyllotoxin

>  <Catalog Number> (3,182)
S2254

>  <Synonyms> (3,182)
DMEP

>  <Target> (3,182)
Microtubule Associated

>  <Form> (3,182)
free base

>  <URL> (3,182)
http://www.selleckchem.com/products/4-Demethylepipodophyllotoxin.html

>  <CAS Number> (3,182)
6559-91-7

$$$$
S3862 Gallic acid trimethyl ether.cdx
csChFnd80/07171813082D

 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
  7 10  2  0  0  0  0
  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> (3,183)
3670

>  <Formula> (3,183)
C10H12O5

>  <MolWeight> (3,183)
212.19928

>  <Item Name> (3,183)
Gallic acid trimethyl ether

>  <Catalog Number> (3,183)
S3862

>  <Synonyms> (3,183)
Eudesmic acid; Tri-O-methylgallic acid; Benzoic acid; 3,4,5-Trimethoxybenzoic acid

>  <Target> (3,183)
Others

>  <Form> (3,183)
free base

>  <URL> (3,183)
http://www.selleckchem.com/products/gallic-acid-trimethyl-ether.html

>  <CAS Number> (3,183)
118-41-2

$$$$
S3863 Methyl EudesMate.cdx
csChFnd80/07171813082D

 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
    0.0000    4.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    0.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    4.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    4.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    4.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    6.3189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    4.9047    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 10  2  0  0  0  0
  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
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,184)
3671

>  <Formula> (3,184)
C11H14O5

>  <MolWeight> (3,184)
226.22586

>  <Item Name> (3,184)
Methyl EudesMate

>  <Catalog Number> (3,184)
S3863

>  <Synonyms> (3,184)
3,4,5-Trimethoxybenzoic acid methyl ester; Trimethylgallic acid methyl ester

>  <Target> (3,184)
Others

>  <Form> (3,184)
free base

>  <URL> (3,184)
http://www.selleckchem.com/products/methyl-eudesMate.html

>  <CAS Number> (3,184)
1916-07-0

$$$$
S3864 Dulcitol.cdx
csChFnd80/07171813082D

 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
    3.6373    1.4000    0.0000 C   0  0  2  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
    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> (3,185)
3672

>  <Formula> (3,185)
C6H14O6

>  <MolWeight> (3,185)
182.17176

>  <Item Name> (3,185)
Dulcitol

>  <Catalog Number> (3,185)
S3864

>  <Synonyms> (3,185)
Galactitol, D-Galactitol, Dulcose

>  <Target> (3,185)
Others

>  <Form> (3,185)
free base

>  <URL> (3,185)
http://www.selleckchem.com/products/dulcitol.html

>  <CAS Number> (3,185)
608-66-2

$$$$
S3865 Taurochenodeoxycholic acid.cdx
csChFnd80/07171813082D

 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
    7.0113    4.9188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4707    3.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (3,186)
3673

>  <Formula> (3,186)
C26H45NO6S

>  <MolWeight> (3,186)
499.7036

>  <Item Name> (3,186)
Taurochenodeoxycholic acid

>  <Catalog Number> (3,186)
S3865

>  <Synonyms> (3,186)
Taurochenodeoxycholate, TCDCA, 12-Deoxycholyltaurine, Chenodeoxycholyltaurine, Chenyltaurine

>  <Target> (3,186)
Others

>  <Form> (3,186)
free base

>  <URL> (3,186)
http://www.selleckchem.com/products/taurochenodeoxycholic-acid.html

>  <CAS Number> (3,186)
516-35-8

$$$$
S3866 Galanthamine.cdx
csChFnd80/07171813082D

 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> (3,187)
3674

>  <Formula> (3,187)
C17H21NO3

>  <MolWeight> (3,187)
287.35354

>  <Item Name> (3,187)
Galanthamine

>  <Catalog Number> (3,187)
S3866

>  <Synonyms> (3,187)
Nivalin, Razadyne, Razadyne ER, Reminyl, Lycoremine

>  <Target> (3,187)
acetylcholinesterase

>  <Form> (3,187)
free base

>  <URL> (3,187)
http://www.selleckchem.com/products/galanthamine.html

>  <CAS Number> (3,187)
357-70-0

$$$$
S3867 Cardamoni.cdx
csChFnd80/07171813082D

 20 21  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
    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
    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
    8.4870    4.2000    0.0000 O   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
   10.9119    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
  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
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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
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 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,188)
3675

>  <Formula> (3,188)
C16H14O4

>  <MolWeight> (3,188)
270.27996

>  <Item Name> (3,188)
Cardamonin

>  <Catalog Number> (3,188)
S3867

>  <Synonyms> (3,188)
Alpinetin chalcone

>  <Target> (3,188)
hTRPA1

>  <Form> (3,188)
free base

>  <URL> (3,188)
http://www.selleckchem.com/products/cardamonin.html

>  <CAS Number> (3,188)
19309-14-9

$$$$
S3868 Harmine.cdx
csChFnd80/07171813082D

 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> (3,189)
3676

>  <Formula> (3,189)
C13H12N2O

>  <MolWeight> (3,189)
212.24718

>  <Item Name> (3,189)
Harmine

>  <Catalog Number> (3,189)
S3868

>  <Synonyms> (3,189)
telepathine

>  <Target> (3,189)
PPAR¦Ã,MAO-A

>  <Form> (3,189)
free base

>  <URL> (3,189)
http://www.selleckchem.com/products/harmine.html

>  <CAS Number> (3,189)
442-51-3

$$$$
S3869 Methyl protocatechuate.cdx
csChFnd80/07171813082D

 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> (3,190)
3677

>  <Formula> (3,190)
C8H8O4

>  <MolWeight> (3,190)
168.14672

>  <Item Name> (3,190)
Methyl protocatechuate

>  <Catalog Number> (3,190)
S3869

>  <Synonyms> (3,190)
Methyl 3,4-dihydroxybenzoate; 3,4-Dihydroxybenzoic acid methyl ester

>  <Target> (3,190)
Others

>  <Form> (3,190)
free base

>  <URL> (3,190)
http://www.selleckchem.com/products/methyl-protocatechuate.html

>  <CAS Number> (3,190)
2150-43-8

$$$$
S3870 D-Pinitol.cdx
csChFnd80/07171813082D

 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> (3,191)
3678

>  <Formula> (3,191)
C7H14O6

>  <MolWeight> (3,191)
194.18246

>  <Item Name> (3,191)
D-Pinitol

>  <Catalog Number> (3,191)
S3870

>  <Synonyms> (3,191)
Methylinositol, Pinitol, 3-O-Methyl-D-chiro-inositol, D-(+)-Pinitol, Inzitol

>  <Target> (3,191)
Others

>  <Form> (3,191)
free base

>  <URL> (3,191)
http://www.selleckchem.com/products/d-pinitol.html

>  <CAS Number> (3,191)
10284-63-6

$$$$
S3849 D-Galactose.cdx
csChFnd80/07171813082D

 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> (3,192)
3679

>  <Formula> (3,192)
C6H12O6

>  <MolWeight> (3,192)
180.15588

>  <Item Name> (3,192)
D-Galactose

>  <Catalog Number> (3,192)
S3849

>  <Synonyms> (3,192)
D-Galactopyranose, D-(+)-Galactose

>  <Target> (3,192)
Others

>  <Form> (3,192)
free base

>  <URL> (3,192)
http://www.selleckchem.com/products/d-galactose.html

>  <CAS Number> (3,192)
59-23-4

$$$$
S3851 Camphor.cdx
csChFnd80/07171813082D

 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> (3,193)
3681

>  <Formula> (3,193)
C10H16O

>  <MolWeight> (3,193)
152.23344

>  <Item Name> (3,193)
Camphor

>  <Catalog Number> (3,193)
S3851

>  <Synonyms> (3,193)
2-Bornanone, Bornan-2-one, 2-Camphanone, Formosa

>  <Target> (3,193)
Others

>  <Form> (3,193)
free base

>  <URL> (3,193)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (3,193)
76-22-2

$$$$
S3854 Tetrahydropalmatine hydrochloride.cdx
csChFnd80/07171813082D

 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> (3,194)
3683

>  <Formula> (3,194)
C21H26ClNO4

>  <MolWeight> (3,194)
391.88844

>  <Item Name> (3,194)
Tetrahydropalmatine hydrochloride

>  <Catalog Number> (3,194)
S3854

>  <Synonyms> (3,194)
Gindarine hydrochloride, 1-Tetrahydropalmitine HCl

>  <Target> (3,194)
Others

>  <Form> (3,194)
hydrochloride

>  <URL> (3,194)
http://www.selleckchem.com/products/tetrahydropalmatine-hydrochloride.html

>  <CAS Number> (3,194)
6024-85-7

$$$$
S3855 Ethyl ferulate.cdx
csChFnd80/07171813082D

 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> (3,195)
3684

>  <Formula> (3,195)
C12H14O4

>  <MolWeight> (3,195)
222.23716

>  <Item Name> (3,195)
Ethyl ferulate

>  <Catalog Number> (3,195)
S3855

>  <Synonyms> (3,195)
Ferulic acid ethyl ester, Ethyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (3,195)
Others

>  <Form> (3,195)
free base

>  <URL> (3,195)
http://www.selleckchem.com/products/ethyl-ferulate.html

>  <CAS Number> (3,195)
4046-02-0

$$$$
S3856 Allantoin.cdx
csChFnd80/07171813082D

 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> (3,196)
3685

>  <Formula> (3,196)
C4H6N4O3

>  <MolWeight> (3,196)
158.11544

>  <Item Name> (3,196)
Allantoin

>  <Catalog Number> (3,196)
S3856

>  <Synonyms> (3,196)
Glyoxyldiureide, 5-Ureidohydantoin

>  <Target> (3,196)
Others

>  <Form> (3,196)
free base

>  <URL> (3,196)
http://www.selleckchem.com/products/allantoin.html

>  <CAS Number> (3,196)
97-59-6

$$$$
S3857 4-Hydroxybenzyl alcohol.cdx
csChFnd80/07171813082D

  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> (3,197)
3686

>  <Formula> (3,197)
C7H8O2

>  <MolWeight> (3,197)
124.13722

>  <Item Name> (3,197)
4-Hydroxybenzyl alcohol

>  <Catalog Number> (3,197)
S3857

>  <Synonyms> (3,197)
P-Methylolphenol, 4-Methylolphenol

>  <Target> (3,197)
Others

>  <Form> (3,197)
free base

>  <URL> (3,197)
http://www.selleckchem.com/products/4-hydroxybenzyl-alcohol.html

>  <CAS Number> (3,197)
623-05-2

$$$$
S3858 Lawsone.cdx
csChFnd80/07171813082D

 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> (3,198)
3687

>  <Formula> (3,198)
C10H6O3

>  <MolWeight> (3,198)
174.15284

>  <Item Name> (3,198)
Lawsone

>  <Catalog Number> (3,198)
S3858

>  <Synonyms> (3,198)
Hennotannic acid; 2-hydroxy-1,4-naphthoquinone

>  <Target> (3,198)
Others

>  <Form> (3,198)
free base

>  <URL> (3,198)
http://www.selleckchem.com/products/lawsone.html

>  <CAS Number> (3,198)
83-72-7

$$$$
S3859 Vanillyl Alcohol.cdx
csChFnd80/07171813082D

 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> (3,199)
3688

>  <Formula> (3,199)
C8H10O3

>  <MolWeight> (3,199)
154.1632

>  <Item Name> (3,199)
Vanillyl Alcohol

>  <Catalog Number> (3,199)
S3859

>  <Synonyms> (3,199)
4-Hydroxy-3-methoxybenzyl alcohol, Vanillin alcohol, Vanillic alcohol

>  <Target> (3,199)
Others

>  <Form> (3,199)
free base

>  <URL> (3,199)
http://www.selleckchem.com/products/vanillyl-alcohol.html

>  <CAS Number> (3,199)
498-00-0

$$$$
S3894 Cycloastragenol.cdx
csChFnd80/07171813082D

 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
    3.0226    0.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548    0.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813    4.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2761    7.9910    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5453    7.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4998    8.4238    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8207    9.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4466    9.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8894    8.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0597    9.6431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7192    6.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2790    8.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    0.6995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0582    4.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9544    6.3944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9120    8.3057    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
  4  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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  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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 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
 12 18  1  1  0  0  0
  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
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 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> (3,200)
3689

>  <Formula> (3,200)
C30H50O5

>  <MolWeight> (3,200)
490.715

>  <Item Name> (3,200)
Cycloastragenol

>  <Catalog Number> (3,200)
S3894

>  <Synonyms> (3,200)
Cyclogalegigenin, Astramembrangenin

>  <Target> (3,200)
telomerase

>  <Form> (3,200)
free base

>  <URL> (3,200)
http://www.selleckchem.com/products/cycloastragenol.html

>  <CAS Number> (3,200)
84605-18-5

$$$$
S3895 Sophoridine.cdx
csChFnd80/07171813082D

 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
    2.4421    0.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4421    4.9256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    4.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    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
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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 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
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  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
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M  END
>  <Mol_ID> (3,201)
3690

>  <Formula> (3,201)
C15H24N2O

>  <MolWeight> (3,201)
248.36386

>  <Item Name> (3,201)
Sophoridine

>  <Catalog Number> (3,201)
S3895

>  <Synonyms> (3,201)
5-Epidihydrosophocarpine, Dihydro-5-episophocarpine

>  <Target> (3,201)
Others

>  <Form> (3,201)
free base

>  <URL> (3,201)
http://www.selleckchem.com/products/sophoridine.html

>  <CAS Number> (3,201)
6882-68-4

$$$$
S3896 DACH-BOC.cdx
csChFnd80/07171813082D

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    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> (3,202)
3691

>  <Formula> (3,202)
C11H22N2O2

>  <MolWeight> (3,202)
214.30458

>  <Item Name> (3,202)
(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine

>  <Catalog Number> (3,202)
S3896

>  <Synonyms> (3,202)
N/A

>  <Target> (3,202)
Others

>  <Form> (3,202)
free base

>  <URL> (3,202)
http://www.selleckchem.com/products/1r-2r-trans-n-boc-1-2-cyclohexanediamine.html

>  <CAS Number> (3,202)
146504-07-6

$$$$
S3897 (-)-Arctigenin.cdx
csChFnd80/07171813082D

 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
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   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
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  2  5  1  6  0  0  0
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  3  7  1  0  0  0  0
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  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
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  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
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 21  2  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 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,203)
3692

>  <Formula> (3,203)
C21H24O6

>  <MolWeight> (3,203)
372.41166

>  <Item Name> (3,203)
(-)-Arctigenin

>  <Catalog Number> (3,203)
S3897

>  <Synonyms> (3,203)
N/A

>  <Target> (3,203)
Others

>  <Form> (3,203)
free base

>  <URL> (3,203)
http://www.selleckchem.com/products/neg-rotation-arctigenin.html

>  <CAS Number> (3,203)
7770-78-7

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/07171813082D

 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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  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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  4 10  2  0  0  0  0
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 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
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 16 18  1  0  0  0  0
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M  END
>  <Mol_ID> (3,204)
3693

>  <Formula> (3,204)
C20H16N2O5

>  <MolWeight> (3,204)
364.35144

>  <Item Name> (3,204)
Hydroxy Camptothecine

>  <Catalog Number> (3,204)
S3898

>  <Synonyms> (3,204)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (3,204)
DNA topoisomerase I

>  <Form> (3,204)
free base

>  <URL> (3,204)
http://www.selleckchem.com/products/hydroxy-camptothecine.html

>  <CAS Number> (3,204)
64439-81-2

$$$$
S3899 Hederagenin.cdx
csChFnd80/07171813082D

 37 41  0  0  0  0  0  0  0  0999 V2000
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    6.0731    4.3763    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2765    3.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4851    7.1582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0731    7.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8698    5.0654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0731    2.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7037    5.0654    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  5  1  6  0  0  0
  2  6  1  0  0  0  0
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  3  9  1  0  0  0  0
  3 10  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 35  1  1  0  0  0
  7 14  1  0  0  0  0
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  8 36  1  6  0  0  0
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 30 33  1  1  0  0  0
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M  END
>  <Mol_ID> (3,205)
3694

>  <Formula> (3,205)
C30H48O4

>  <MolWeight> (3,205)
472.69972

>  <Item Name> (3,205)
Hederagenin

>  <Catalog Number> (3,205)
S3899

>  <Synonyms> (3,205)
Caulosapogenin, Hederagenol, Hederagenic acid, Astrantiagenin E

>  <Target> (3,205)
Others

>  <Form> (3,205)
free base

>  <URL> (3,205)
http://www.selleckchem.com/products/hederagenin.html

>  <CAS Number> (3,205)
465-99-6

$$$$
S3900 Betulonic acid.cdx
csChFnd80/07171813082D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 31  9  1  0  0  0  0
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M  END
>  <Mol_ID> (3,206)
3695

>  <Formula> (3,206)
C30H46O3

>  <MolWeight> (3,206)
454.68444

>  <Item Name> (3,206)
Betulonic acid

>  <Catalog Number> (3,206)
S3900

>  <Synonyms> (3,206)
Liquidambaric acid

>  <Target> (3,206)
Others

>  <Form> (3,206)
free base

>  <URL> (3,206)
http://www.selleckchem.com/products/betulonic-acid.html

>  <CAS Number> (3,206)
4481-62-3

$$$$
S3902 Ursonic acid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,207)
3696

>  <Formula> (3,207)
C30H46O3

>  <MolWeight> (3,207)
454.68444

>  <Item Name> (3,207)
Ursonic acid

>  <Catalog Number> (3,207)
S3902

>  <Synonyms> (3,207)
Prunol, Malol, beta-Ursolic acid, NSC4060, CCRIS 7123, TOS-BB-0966

>  <Target> (3,207)
Others

>  <Form> (3,207)
free base

>  <URL> (3,207)
http://www.selleckchem.com/products/ursonic-acid.html

>  <CAS Number> (3,207)
6246-46-4

$$$$
S3903 Lycorine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,208)
3697

>  <Formula> (3,208)
C16H17NO4

>  <MolWeight> (3,208)
287.31048

>  <Item Name> (3,208)
Lycorine

>  <Catalog Number> (3,208)
S3903

>  <Synonyms> (3,208)
Galanthidine, Amarylline, Narcissine, Licorine, Belamarine

>  <Target> (3,208)
acetylcholinesterase 

>  <Form> (3,208)
free base

>  <URL> (3,208)
http://www.selleckchem.com/products/lycorine.html

>  <CAS Number> (3,208)
476-28-8

$$$$
S3904 Isoimperatorin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,209)
3698

>  <Formula> (3,209)
C16H14O4

>  <MolWeight> (3,209)
270.27996

>  <Item Name> (3,209)
Isoimperatorin

>  <Catalog Number> (3,209)
S3904

>  <Synonyms> (3,209)
N/A

>  <Target> (3,209)
Others

>  <Form> (3,209)
free base

>  <URL> (3,209)
http://www.selleckchem.com/products/isoimperatorin.html

>  <CAS Number> (3,209)
482-45-1

$$$$
S3905 Iso-Steviol.cdx
csChFnd80/07171813082D

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  1 25  1  1  0  0  0
M  END
>  <Mol_ID> (3,210)
3699

>  <Formula> (3,210)
C20H30O3

>  <MolWeight> (3,210)
318.4504

>  <Item Name> (3,210)
Iso-Steviol

>  <Catalog Number> (3,210)
S3905

>  <Synonyms> (3,210)
N/A

>  <Target> (3,210)
Others

>  <Form> (3,210)
free base

>  <URL> (3,210)
http://www.selleckchem.com/products/iso-steviol.html

>  <CAS Number> (3,210)
27975-19-5

$$$$
S5161 1-Octacosanol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,211)
3708

>  <Formula> (3,211)
C28H58O

>  <MolWeight> (3,211)
410.75952

>  <Item Name> (3,211)
1-Octacosanol

>  <Catalog Number> (3,211)
S5161

>  <Synonyms> (3,211)
n-Octacosanol, Octacosyl alcohol, Octanosol, Montanyl alcohol, Cluytyl alcohol

>  <Target> (3,211)
Others

>  <Form> (3,211)
free base

>  <URL> (3,211)
http://www.selleckchem.com/products/1-octacosanol.html

>  <CAS Number> (3,211)
557-61-9

$$$$
S3876 Indigo.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,212)
3710

>  <Formula> (3,212)
C16H10N2O2

>  <MolWeight> (3,212)
262.2628

>  <Item Name> (3,212)
Indigo

>  <Catalog Number> (3,212)
S3876

>  <Synonyms> (3,212)
Indigotin

>  <Target> (3,212)
Others

>  <Form> (3,212)
free base

>  <URL> (3,212)
http://www.selleckchem.com/products/indigo.html

>  <CAS Number> (3,212)
482-89-3

$$$$
S4761 Thymoquinone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,213)
3711

>  <Formula> (3,213)
C10H12O2

>  <MolWeight> (3,213)
164.20108

>  <Item Name> (3,213)
Thymoquinone

>  <Catalog Number> (3,213)
S4761

>  <Synonyms> (3,213)
N/A

>  <Target> (3,213)
Others

>  <Form> (3,213)
free base

>  <URL> (3,213)
http://www.selleckchem.com/products/thymoquinone.html

>  <CAS Number> (3,213)
490-91-5

$$$$
Takinib.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,214)
3712

>  <Formula> (3,214)
C18H18N4O2

>  <MolWeight> (3,214)
322.36112

>  <Item Name> (3,214)
Takinib

>  <Catalog Number> (3,214)
S8663

>  <Synonyms> (3,214)
EDHS-206

>  <Target> (3,214)
TAK1,IRAK4,IRAK1

>  <Form> (3,214)
free base

>  <URL> (3,214)
http://www.selleckchem.com/products/takinib.html

>  <CAS Number> (3,214)
1111556-37-6

$$$$
CA3.cdx
csChFnd80/07171813082D

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M  END
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>  <MolWeight> (3,215)
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CA3

>  <Catalog Number> (3,215)
S8661

>  <Synonyms> (3,215)
N/A

>  <Target> (3,215)
YAP/TEAD interaction

>  <Form> (3,215)
free base

>  <URL> (3,215)
http://www.selleckchem.com/products/ca3.html

>  <CAS Number> (3,215)
300802-28-2

$$$$
PTC-028.cdx
csChFnd80/07171813082D

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>  <Formula> (3,216)
C19H12F5N5

>  <MolWeight> (3,216)
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PTC-028

>  <Catalog Number> (3,216)
S8662

>  <Synonyms> (3,216)
N/A

>  <Target> (3,216)
BMI-1

>  <Form> (3,216)
free base

>  <URL> (3,216)
http://www.selleckchem.com/products/ptc-028.html

>  <CAS Number> (3,216)
1782970-28-8

$$$$
S3816 Dehydroevodiamine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,217)
3715

>  <Formula> (3,217)
C19H15N3O

>  <MolWeight> (3,217)
301.3419

>  <Item Name> (3,217)
Dehydroevodiamine

>  <Catalog Number> (3,217)
S3816

>  <Synonyms> (3,217)
DHED

>  <Target> (3,217)
Others

>  <Form> (3,217)
inner salt

>  <URL> (3,217)
http://www.selleckchem.com/products/dehydroevodiamine.html

>  <CAS Number> (3,217)
67909-49-3

$$$$
S3818 Tectoridin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,218)
3716

>  <Formula> (3,218)
C22H22O11

>  <MolWeight> (3,218)
462.40348

>  <Item Name> (3,218)
Tectoridin

>  <Catalog Number> (3,218)
S3818

>  <Synonyms> (3,218)
Shekanin

>  <Target> (3,218)
Others

>  <Form> (3,218)
free base

>  <URL> (3,218)
http://www.selleckchem.com/products/tectoridin.html

>  <CAS Number> (3,218)
611-40-5

$$$$
IDO inhibitor 1.cdx
csChFnd80/07171813082D

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   10.9119    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
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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
  4  8  1  0  0  0  0
  7  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  7  2  0  0  0  0
  8 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17  8  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 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
 22 24  1  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  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  2  0  0  0  0
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 31 34  1  0  0  0  0
 20 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (3,219)
3723

>  <Formula> (3,219)
C29H35N7O

>  <MolWeight> (3,219)
497.6345

>  <Item Name> (3,219)
IDO inhibitor 1

>  <Catalog Number> (3,219)
S8557

>  <Synonyms> (3,219)
N/A

>  <Target> (3,219)
IDO

>  <Form> (3,219)
free base

>  <URL> (3,219)
http://www.selleckchem.com/products/mucic-acid.html

>  <CAS Number> (3,219)
1668565-74-9

$$$$
S4779 Menadiol Diacetate.cdx
csChFnd80/07171813082D

 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
    2.4235    4.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    6.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    6.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362    3.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    3.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    5.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    7.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    4.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362    2.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029    4.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8386    8.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    3.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    7.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8386    9.7975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    2.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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  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
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,220)
3734

>  <Formula> (3,220)
C15H14O4

>  <MolWeight> (3,220)
258.26926

>  <Item Name> (3,220)
Menadiol Diacetate

>  <Catalog Number> (3,220)
S4779

>  <Synonyms> (3,220)
Vitamin K4, Acetomenaphthone, Kapilin

>  <Target> (3,220)
Others

>  <Form> (3,220)
free base

>  <URL> (3,220)
http://www.selleckchem.com/products/menadiol-diacetate.html

>  <CAS Number> (3,220)
573-20-6

$$$$
S4780 7-Methoxy-4-methylcoumarin.cdx
csChFnd80/07171813082D

 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
    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 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
    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
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
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  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,221)
3735

>  <Formula> (3,221)
C11H10O3

>  <MolWeight> (3,221)
190.1953

>  <Item Name> (3,221)
7-Methoxy-4-methylcoumarin

>  <Catalog Number> (3,221)
S4780

>  <Synonyms> (3,221)
N/A

>  <Target> (3,221)
Others

>  <Form> (3,221)
free base

>  <URL> (3,221)
http://www.selleckchem.com/products/7-methoxy-4-methylcoumarin.html

>  <CAS Number> (3,221)
2555-28-4

$$$$
S4781 Xanthoxyline.cdx
csChFnd80/07171813082D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,222)
3736

>  <Formula> (3,222)
C10H12O4

>  <MolWeight> (3,222)
196.19988

>  <Item Name> (3,222)
Xanthoxyline

>  <Catalog Number> (3,222)
S4781

>  <Synonyms> (3,222)
Brevifolin

>  <Target> (3,222)
Others

>  <Form> (3,222)
free base

>  <URL> (3,222)
http://www.selleckchem.com/products/xanthoxyline.html

>  <CAS Number> (3,222)
90-24-4

$$$$
S4769 L-5-Hydroxytryptophan.cdx
csChFnd80/07171813082D

 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
    1.2062    0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1492    6.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4915    5.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8063    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
  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
 12 13  2  0  0  0  0
  5 13  1  0  0  0  0
  8 13  1  0  0  0  0
  1 14  2  0  0  0  0
  1 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,223)
3744

>  <Formula> (3,223)
C11H12N2O3

>  <MolWeight> (3,223)
220.22458

>  <Item Name> (3,223)
L-5-Hydroxytryptophan

>  <Catalog Number> (3,223)
S4769

>  <Synonyms> (3,223)
L-oxitriptan

>  <Target> (3,223)
Others

>  <Form> (3,223)
free base

>  <URL> (3,223)
http://www.selleckchem.com/products/l-5-hydroxytryptophan.html

>  <CAS Number> (3,223)
4350-09-8

$$$$
S4771 ¦Â-thujaplicin.cdx
csChFnd80/07171813082D

 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
    2.8491    6.4263    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  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> (3,224)
3746

>  <Formula> (3,224)
C10H12O2

>  <MolWeight> (3,224)
164.20108

>  <Item Name> (3,224)
¦Â-thujaplicin

>  <Catalog Number> (3,224)
S4771

>  <Synonyms> (3,224)
Hinokitiol, 4-Isopropyltropolone

>  <Target> (3,224)
Others

>  <Form> (3,224)
free base

>  <URL> (3,224)
http://www.selleckchem.com/products/beta-thujaplicin.html

>  <CAS Number> (3,224)
499-44-5

$$$$
S4772 alpha-Asarone.cdx
csChFnd80/07171813082D

 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
    4.8497    0.0000    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 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
    7.2746    0.0000    0.0000 O   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
    8.4870    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  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 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> (3,225)
3747

>  <Formula> (3,225)
C12H16O3

>  <MolWeight> (3,225)
208.25364

>  <Item Name> (3,225)
alpha-Asarone

>  <Catalog Number> (3,225)
S4772

>  <Synonyms> (3,225)
trans-Asarone

>  <Target> (3,225)
Others

>  <Form> (3,225)
free base

>  <URL> (3,225)
http://www.selleckchem.com/products/alpha-asarone.html

>  <CAS Number> (3,225)
2883-98-9

$$$$
S4773 Adrenosterone.cdx
csChFnd80/07171813082D

 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> (3,226)
3748

>  <Formula> (3,226)
C19H24O3

>  <MolWeight> (3,226)
300.39206

>  <Item Name> (3,226)
Adrenosterone

>  <Catalog Number> (3,226)
S4773

>  <Synonyms> (3,226)
Reichstein's substance G, 11-ketoandrostenedione, 11-oxoandrostenedione

>  <Target> (3,226)
Others

>  <Form> (3,226)
free base

>  <URL> (3,226)
http://www.selleckchem.com/products/adrenosterone.html

>  <CAS Number> (3,226)
382-45-6

$$$$
S4774 Xanthurenic Acid.cdx
csChFnd80/07171813082D

 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> (3,227)
3749

>  <Formula> (3,227)
C10H7NO4

>  <MolWeight> (3,227)
205.16688

>  <Item Name> (3,227)
Xanthurenic Acid

>  <Catalog Number> (3,227)
S4774

>  <Synonyms> (3,227)
xanthurenate; 8-Hydroxykynurenic acid; 4,8-Dihydroxyquinaldic acid

>  <Target> (3,227)
mGlu2,mGlu3

>  <Form> (3,227)
free base

>  <URL> (3,227)
http://www.selleckchem.com/products/xanthurenic-acid.html

>  <CAS Number> (3,227)
59-00-7

$$$$
S4775 Cortodoxone.cdx
csChFnd80/07171813082D

 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> (3,228)
3750

>  <Formula> (3,228)
C21H30O4

>  <MolWeight> (3,228)
346.4605

>  <Item Name> (3,228)
Cortodoxone

>  <Catalog Number> (3,228)
S4775

>  <Synonyms> (3,228)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (3,228)
Glucocorticoid Receptor

>  <Form> (3,228)
free base

>  <URL> (3,228)
http://www.selleckchem.com/products/cortodoxone.html

>  <CAS Number> (3,228)
152-58-9

$$$$
S4776 Harmaline.cdx
csChFnd80/07171813082D

 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> (3,229)
3751

>  <Formula> (3,229)
C13H14N2O

>  <MolWeight> (3,229)
214.26306

>  <Item Name> (3,229)
Harmaline

>  <Catalog Number> (3,229)
S4776

>  <Synonyms> (3,229)
Others

>  <Target> (3,229)
acetylcholinesterase

>  <Form> (3,229)
free base

>  <URL> (3,229)
http://www.selleckchem.com/products/harmaline.html

>  <CAS Number> (3,229)
304-21-2

$$$$
S4777 Plumbagin.cdx
csChFnd80/07171813082D

 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> (3,230)
3752

>  <Formula> (3,230)
C11H8O3

>  <MolWeight> (3,230)
188.17942

>  <Item Name> (3,230)
Plumbagin

>  <Catalog Number> (3,230)
S4777

>  <Synonyms> (3,230)
Plumbagine, Plumbaein, Plumbagone

>  <Target> (3,230)
Others

>  <Form> (3,230)
free base

>  <URL> (3,230)
http://www.selleckchem.com/products/plumbagin.html

>  <CAS Number> (3,230)
481-42-5

$$$$
S4778 o-Veratraldehyde.cdx
csChFnd80/07171813082D

 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> (3,231)
3753

>  <Formula> (3,231)
C9H10O3

>  <MolWeight> (3,231)
166.1739

>  <Item Name> (3,231)
o-Veratraldehyde

>  <Catalog Number> (3,231)
S4778

>  <Synonyms> (3,231)
 2,3-Dimethoxybenzaldehyde

>  <Target> (3,231)
Others

>  <Form> (3,231)
free base

>  <URL> (3,231)
http://www.selleckchem.com/products/o-veratraldehyde.html

>  <CAS Number> (3,231)
86-51-1

$$$$
S3830 Protodioscin.cdx
csChFnd80/07171813082D

 78 86  0  0  0  0  0  0  0  0999 V2000
   14.9573    9.7720    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9573    8.3920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.3125   10.1894    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6693   10.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6693    7.6840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3125    7.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1057    9.0881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1598   11.2962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4827    9.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4827    8.3920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6693    6.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4005    9.5354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,235)
3767

>  <Formula> (3,235)
C20H18N2O2S

>  <MolWeight> (3,235)
350.43412

>  <Item Name> (3,235)
Coumarin 6

>  <Catalog Number> (3,235)
S5170

>  <Synonyms> (3,235)
N/A

>  <Target> (3,235)
Others

>  <Form> (3,235)
free base

>  <URL> (3,235)
http://www.selleckchem.com/products/coumarin-6.html

>  <CAS Number> (3,235)
38215-36-0

$$$$
S4762 2,4-Dihydroxyacetophenone.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,236)
3771

>  <Formula> (3,236)
C8H8O3

>  <MolWeight> (3,236)
152.14732

>  <Item Name> (3,236)
2,4-Dihydroxyacetophenone

>  <Catalog Number> (3,236)
S4762

>  <Synonyms> (3,236)
Resacetophenone, 4-Acetylresorcinol

>  <Target> (3,236)
Others

>  <Form> (3,236)
free base

>  <URL> (3,236)
http://www.selleckchem.com/products/2-4-dihydroxyacetophenone.html

>  <CAS Number> (3,236)
89-84-9

$$$$
S4763 4-Hydroxychalcone.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,237)
3772

>  <Formula> (3,237)
C15H12O2

>  <MolWeight> (3,237)
224.25458

>  <Item Name> (3,237)
4-Hydroxychalcone

>  <Catalog Number> (3,237)
S4763

>  <Synonyms> (3,237)
P-Cinnamoylphenol

>  <Target> (3,237)
Others

>  <Form> (3,237)
free base

>  <URL> (3,237)
http://www.selleckchem.com/products/4-hydroxychalcone.html

>  <CAS Number> (3,237)
20426-12-4

$$$$
S4764 Melezitose.cdx
csChFnd80/07171813082D

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A   35
xH2O
M  END
>  <Mol_ID> (3,238)
3773

>  <Formula> (3,238)
C18H32O16R

>  <MolWeight> (3,238)
504.43708

>  <Item Name> (3,238)
Melezitose

>  <Catalog Number> (3,238)
S4764

>  <Synonyms> (3,238)
melicitose

>  <Target> (3,238)
Others

>  <Form> (3,238)
hydrate

>  <URL> (3,238)
http://www.selleckchem.com/products/melezitose.html

>  <CAS Number> (3,238)
207511-10-2

$$$$
S4765 Syringaldehyde.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,239)
3774

>  <Formula> (3,239)
C9H10O4

>  <MolWeight> (3,239)
182.1733

>  <Item Name> (3,239)
Syringaldehyde

>  <Catalog Number> (3,239)
S4765

>  <Synonyms> (3,239)
Syringic aldehyde

>  <Target> (3,239)
Others

>  <Form> (3,239)
free base

>  <URL> (3,239)
http://www.selleckchem.com/products/syringaldehyde.html

>  <CAS Number> (3,239)
134-96-3

$$$$
S4767 7-Hydroxy-3,4-dihydrocarbostyril.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,240)
3775

>  <Formula> (3,240)
C9H9NO2

>  <MolWeight> (3,240)
163.17326

>  <Item Name> (3,240)
7-Hydroxy-3,4-dihydrocarbostyril

>  <Catalog Number> (3,240)
S4767

>  <Synonyms> (3,240)
N/A

>  <Target> (3,240)
Others

>  <Form> (3,240)
free base

>  <URL> (3,240)
http://www.selleckchem.com/products/7-hydroxy-3-4-dihydrocarbostyril.html

>  <CAS Number> (3,240)
22246-18-0

$$$$
S4768 Melibiose.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,241)
3776

>  <Formula> (3,241)
C12H22O11

>  <MolWeight> (3,241)
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>  <Item Name> (3,241)
Melibiose

>  <Catalog Number> (3,241)
S4768

>  <Synonyms> (3,241)
Galalpha1-6Glcbeta

>  <Target> (3,241)
Others

>  <Form> (3,241)
free base

>  <URL> (3,241)
http://www.selleckchem.com/products/melibiose.html

>  <CAS Number> (3,241)
585-99-9

$$$$
S5116 Bilibubin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,242)
3784

>  <Formula> (3,242)
C33H36N4O6

>  <MolWeight> (3,242)
584.66214

>  <Item Name> (3,242)
Bilibubin

>  <Catalog Number> (3,242)
S5116

>  <Synonyms> (3,242)
N/A

>  <Target> (3,242)
Others

>  <Form> (3,242)
free base

>  <URL> (3,242)
http://www.selleckchem.com/products/bilibubin.html

>  <CAS Number> (3,242)
635-65-4

$$$$
PF-06651600.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,243)
3786

>  <Formula> (3,243)
C15H19N5O

>  <MolWeight> (3,243)
285.34426

>  <Item Name> (3,243)
PF-06651600

>  <Catalog Number> (3,243)
S8538

>  <Synonyms> (3,243)
N/A

>  <Target> (3,243)
JAK3 

>  <Form> (3,243)
free base

>  <URL> (3,243)
http://www.selleckchem.com/products/pf-06651600.html

>  <CAS Number> (3,243)
1792180-81-4

$$$$
S3949 N-Sulfo-glucosamine sodium salt.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,244)
3787

>  <Formula> (3,244)
C6H12NNaO8S

>  <MolWeight> (3,244)
281.21615

>  <Item Name> (3,244)
N-Sulfo-glucosamine sodium salt

>  <Catalog Number> (3,244)
S3949

>  <Synonyms> (3,244)
N-sulfoglucosamine sodium salt, N-Sulfo-D-glucosamine sodium salt

>  <Target> (3,244)
Others

>  <Form> (3,244)
sodium salt

>  <URL> (3,244)
http://www.selleckchem.com/products/n-sulfo-glucosamine-sodium-salt.html

>  <CAS Number> (3,244)
38899-05-7

$$$$
S3950 Maltitol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,245)
3788

>  <Formula> (3,245)
C12H24O11

>  <MolWeight> (3,245)
344.31236

>  <Item Name> (3,245)
Maltitol

>  <Catalog Number> (3,245)
S3950

>  <Synonyms> (3,245)
Maltisorb, 4-O-¦Á-glucopyranosyl-D-sorbitol

>  <Target> (3,245)
Others

>  <Form> (3,245)
free base

>  <URL> (3,245)
http://www.selleckchem.com/products/maltitol.html

>  <CAS Number> (3,245)
585-88-6

$$$$
S3951 Tannic acid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,246)
3789

>  <Formula> (3,246)
C76H52O46

>  <MolWeight> (3,246)
1701.19848

>  <Item Name> (3,246)
Tannic acid

>  <Catalog Number> (3,246)
S3951

>  <Synonyms> (3,246)
Gallotannic acid

>  <Target> (3,246)
CXCR4 

>  <Form> (3,246)
free base

>  <URL> (3,246)
http://www.selleckchem.com/products/tannic-acid.html

>  <CAS Number> (3,246)
1401-55-4

$$$$
GO-203.cdx
csChFnd80/07171813082D

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151152  2  0  0  0  0
151153  1  0  0  0  0
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158160  1  0  0  0  0
161162  1  0  0  0  0
161163  1  0  0  0  0
161164  1  0  0  0  0
161165  1  0  0  0  0
165166  1  0  0  0  0
165167  2  0  0  0  0
M  END
>  <Mol_ID> (3,247)
3802

>  <Formula> (3,247)
C89H171F3N52O21S2

>  <MolWeight> (3,247)
2426.7710496

>  <Item Name> (3,247)
GO-203

>  <Catalog Number> (3,247)
S8674

>  <Synonyms> (3,247)
N/A

>  <Target> (3,247)
MUC-1C

>  <Form> (3,247)
trifluoroacetate

>  <URL> (3,247)
http://www.selleckchem.com/products/go-203.html

>  <CAS Number> (3,247)
1222186-26-6

$$$$
ML204.cdx
csChFnd80/07171813082D

 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    2.1000    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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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  8 12  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,248)
3803

>  <Formula> (3,248)
C15H18N2

>  <MolWeight> (3,248)
226.31682

>  <Item Name> (3,248)
ML204

>  <Catalog Number> (3,248)
S8691

>  <Synonyms> (3,248)
N/A

>  <Target> (3,248)
TRPC4

>  <Form> (3,248)
free base

>  <URL> (3,248)
http://www.selleckchem.com/products/ml204.html

>  <CAS Number> (3,248)
5465-86-1

$$$$
S3967 Flavone.cdx
csChFnd80/07171813082D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4322    4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    4.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    2.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    2.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8570    4.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    6.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074    4.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0584    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2598    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4832    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4759    0.6936    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
  6 11  2  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 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
M  END
>  <Mol_ID> (3,249)
3804

>  <Formula> (3,249)
C15H10O2

>  <MolWeight> (3,249)
222.2387

>  <Item Name> (3,249)
Flavone

>  <Catalog Number> (3,249)
S3967

>  <Synonyms> (3,249)
 2-Phenylchromone, 2-Phenyl-4-chromone, 2-Phenyl-4-benzopyron

>  <Target> (3,249)
Others

>  <Form> (3,249)
free base

>  <URL> (3,249)
http://www.selleckchem.com/products/flavone.html

>  <CAS Number> (3,249)
525-82-6

$$$$
S3975 Protocatechuic acid.cdx
csChFnd80/07171813082D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6385    3.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    4.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    3.4988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    5.5984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4010    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
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,250)
3805

>  <Formula> (3,250)
C7H6O4

>  <MolWeight> (3,250)
154.12014

>  <Item Name> (3,250)
Protocatechuic acid

>  <Catalog Number> (3,250)
S3975

>  <Synonyms> (3,250)
3,4-Dihydroxybenzoic acid, Protocatechuate

>  <Target> (3,250)
Others

>  <Form> (3,250)
free base

>  <URL> (3,250)
http://www.selleckchem.com/products/protocatechuic-acid.html

>  <CAS Number> (3,250)
99-50-3

$$$$
S3976 Acetylvanillin.cdx
csChFnd80/07171813082D

 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> (3,251)
3806

>  <Formula> (3,251)
C10H10O4

>  <MolWeight> (3,251)
194.184

>  <Item Name> (3,251)
Acetylvanillin
Acetylvanillin

>  <Catalog Number> (3,251)
S3976

>  <Synonyms> (3,251)
Acetovanillin, Vanillin acetate, 4-Acetoxy-3-methoxybenzaldehyde, 4-Formyl-2-methoxyphenyl acetate

>  <Target> (3,251)
Others

>  <Form> (3,251)
free base

>  <URL> (3,251)
http://www.selleckchem.com/products/acetylvanillin.html

>  <CAS Number> (3,251)
881-68-5

$$$$
S3977 (-)-Borneol.cdx
csChFnd80/07171813082D

 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> (3,252)
3807

>  <Formula> (3,252)
C10H18O

>  <MolWeight> (3,252)
154.24932

>  <Item Name> (3,252)
(-)-Borneol

>  <Catalog Number> (3,252)
S3977

>  <Synonyms> (3,252)
L-Borneol

>  <Target> (3,252)
Others

>  <Form> (3,252)
free base

>  <URL> (3,252)
http://www.selleckchem.com/products/l-borneol.html

>  <CAS Number> (3,252)
464-45-9

$$$$
S3978 5-Phenyl-2,4-pentadienoic acid.cdx
csChFnd80/07171813082D

 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
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  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> (3,253)
3808

>  <Formula> (3,253)
C11H10O2

>  <MolWeight> (3,253)
174.1959

>  <Item Name> (3,253)
5-Phenyl-2,4-pentadienoic acid

>  <Catalog Number> (3,253)
S3978

>  <Synonyms> (3,253)
5-Phenylpenta-2,4-dienoic acid

>  <Target> (3,253)
Others

>  <Form> (3,253)
free base

>  <URL> (3,253)
http://www.selleckchem.com/products/5-phenyl-2-4-pentadienoic-acid.html

>  <CAS Number> (3,253)
1552-94-9

$$$$
S3980 Pyridoxine.cdx
csChFnd80/07171813082D

 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> (3,254)
3809

>  <Formula> (3,254)
C8H11NO3

>  <MolWeight> (3,254)
169.17784

>  <Item Name> (3,254)
Pyridoxine

>  <Catalog Number> (3,254)
S3980

>  <Synonyms> (3,254)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (3,254)
Others

>  <Form> (3,254)
free base

>  <URL> (3,254)
http://www.selleckchem.com/products/pyridoxine.html

>  <CAS Number> (3,254)
65-23-6

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/07171813082D

 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> (3,255)
3810

>  <Formula> (3,255)
C20H22N4O10S

>  <MolWeight> (3,255)
510.47448

>  <Item Name> (3,255)
Cefuroxime axetil

>  <Catalog Number> (3,255)
S4813

>  <Synonyms> (3,255)
N/A

>  <Target> (3,255)
Antifection

>  <Form> (3,255)
free base

>  <URL> (3,255)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (3,255)
64544-07-6

$$$$
S4821 Glycine.cdx
csChFnd80/07171813082D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4255    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    2.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6995    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
M  END
>  <Mol_ID> (3,256)
3811

>  <Formula> (3,256)
C2H5NO2

>  <MolWeight> (3,256)
75.0666

>  <Item Name> (3,256)
Glycine

>  <Catalog Number> (3,256)
S4821

>  <Synonyms> (3,256)
 2-Aminoacetic acid, Aminoacetic acid, Glycocoll

>  <Target> (3,256)
Others

>  <Form> (3,256)
free base

>  <URL> (3,256)
http://www.selleckchem.com/products/glycine.html

>  <CAS Number> (3,256)
56-40-6

$$$$
S4826 Aluminium hydroxide.cdx
csChFnd80/07171813082D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.4000    1.2124    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 O   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  1  0  0  0  0
M  END
>  <Mol_ID> (3,257)
3812

>  <Formula> (3,257)
AlH3O3

>  <MolWeight> (3,257)
78.003558

>  <Item Name> (3,257)
Aluminium hydroxide

>  <Catalog Number> (3,257)
S4826

>  <Synonyms> (3,257)
Aluminic hydroxide, Aluminum trihydroxide, Aluminium(III) hydroxide

>  <Target> (3,257)
Others

>  <Form> (3,257)
free base

>  <URL> (3,257)
http://www.selleckchem.com/products/aluminium-hydroxide.html

>  <CAS Number> (3,257)
21645-51-2

$$$$
S4843 Potassium acetate.cdx
csChFnd80/07171813082D

  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> (3,258)
3813

>  <Formula> (3,258)
C2H3KO2

>  <MolWeight> (3,258)
98.14232

>  <Item Name> (3,258)
Potassium acetate

>  <Catalog Number> (3,258)
S4843

>  <Synonyms> (3,258)
Diuretic salt, Potassium ethanoate

>  <Target> (3,258)
Others

>  <Form> (3,258)
potassium salt

>  <URL> (3,258)
http://www.selleckchem.com/products/potassium-acetate.html

>  <CAS Number> (3,258)
127-08-2

$$$$
S4844 Cefcapene Pivoxil Hydrochloride.cdx
csChFnd80/07171813082D

 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> (3,259)
3814

>  <Formula> (3,259)
C23H32ClN5O9S2

>  <MolWeight> (3,259)
622.11128

>  <Item Name> (3,259)
Cefcapene Pivoxil Hydrochloride

>  <Catalog Number> (3,259)
S4844

>  <Synonyms> (3,259)
N/A

>  <Target> (3,259)
Others

>  <Form> (3,259)
hydrochloride, hydrate

>  <URL> (3,259)
http://www.selleckchem.com/products/cefcapene-pivoxil-hydrochloride.html

>  <CAS Number> (3,259)
147816-24-8

$$$$
S5005 Cefotiam hydrochloride.cdx
csChFnd80/07171813082D

 37 38  0  0  0  0  0  0  0  0999 V2000
   17.5936    5.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9836    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9575    3.7332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9836    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9836    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.1960    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5836    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5836    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.1960    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.4084    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1960    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5936    1.8101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4084    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6209    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4084    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2413    4.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8333    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.8790    3.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2514    5.8176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0457    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5267    3.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3247    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1921    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4387    3.9940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0249    1.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2615    1.6290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6158    4.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5615    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2645    3.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6269    1.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.9472    4.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1663    5.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.0783    6.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4733    6.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9836    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   27.8056    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   27.8056    0.0000 Cl  0  0  0  0  0  0  0  0  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
  5  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 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
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M  END
>  <Mol_ID> (3,260)
3815

>  <Formula> (3,260)
C18H25Cl2N9O4S3

>  <MolWeight> (3,260)
598.55

>  <Item Name> (3,260)
Cefotiam hydrochloride

>  <Catalog Number> (3,260)
S5005

>  <Synonyms> (3,260)
Cefotiam dihydrochloride, Halospor, Pansporin, Pansporine

>  <Target> (3,260)
Antifection

>  <Form> (3,260)
dihydrochloride

>  <URL> (3,260)
http://www.selleckchem.com/products/cefotiam-hydrochloride.html

>  <CAS Number> (3,260)
66309-69-1

$$$$
S5009 Brivudine.cdx
csChFnd80/07171813082D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,261)
3816

>  <Formula> (3,261)
C11H13BrN2O5

>  <MolWeight> (3,261)
333.13532

>  <Item Name> (3,261)
Brivudine

>  <Catalog Number> (3,261)
S5009

>  <Synonyms> (3,261)
BVDU

>  <Target> (3,261)
Antifection

>  <Form> (3,261)
free base

>  <URL> (3,261)
http://www.selleckchem.com/products/brivudine.html

>  <CAS Number> (3,261)
69304-47-8

$$$$
UNC0642.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,262)
3819

>  <Formula> (3,262)
C29H44F2N6O2

>  <MolWeight> (3,262)
546.6954664

>  <Item Name> (3,262)
UNC0642

>  <Catalog Number> (3,262)
S7230

>  <Synonyms> (3,262)
N/A

>  <Target> (3,262)
G9a,GLP

>  <Form> (3,262)
free base

>  <URL> (3,262)
http://www.selleckchem.com/products/unc0642.html

>  <CAS Number> (3,262)
1481677-78-4

$$$$
NGP 555.cdx
csChFnd80/07171813082D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,263)
3820

>  <Formula> (3,263)
C23H23FN4S

>  <MolWeight> (3,263)
406.5189232

>  <Item Name> (3,263)
NGP 555

>  <Catalog Number> (3,263)
S8603

>  <Synonyms> (3,263)
N/A

>  <Target> (3,263)
¦Ã-secretase

>  <Form> (3,263)
free base

>  <URL> (3,263)
http://www.selleckchem.com/products/npg-555.html

>  <CAS Number> (3,263)
1304630-27-0

$$$$
S3985 Methyl 4-hydroxybenzoate.cdx
csChFnd80/07171813082D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,264)
3821

>  <Formula> (3,264)
C8H8O3

>  <MolWeight> (3,264)
152.14732

>  <Item Name> (3,264)
Methyl 4-hydroxybenzoate

>  <Catalog Number> (3,264)
S3985

>  <Synonyms> (3,264)
Methylparaben, Methyl paraben, Methyl p-hydroxybenzoate, Nipagin, Methyl parahydroxybenzoate

>  <Target> (3,264)
Others

>  <Form> (3,264)
free base

>  <URL> (3,264)
http://www.selleckchem.com/products/methyl-4-hydroxybenzoate.html

>  <CAS Number> (3,264)
99-76-3

$$$$
S3986 L(+)-Arabinose.cdx
csChFnd80/07171813082D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,265)
3822

>  <Formula> (3,265)
C5H10O5

>  <MolWeight> (3,265)
150.1299

>  <Item Name> (3,265)
L(+)-Arabinose

>  <Catalog Number> (3,265)
S3986

>  <Synonyms> (3,265)
L(+)-Pectinose

>  <Target> (3,265)
Others

>  <Form> (3,265)
free base

>  <URL> (3,265)
http://www.selleckchem.com/products/l-arabinose.html

>  <CAS Number> (3,265)
87-72-9

$$$$
S3987 L-Tryptophan.cdx
csChFnd80/07171813082D

 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> (3,266)
3823

>  <Formula> (3,266)
C11H12N2O2

>  <MolWeight> (3,266)
204.22518

>  <Item Name> (3,266)
L-Tryptophan

>  <Catalog Number> (3,266)
S3987

>  <Synonyms> (3,266)
N/A

>  <Target> (3,266)
Others

>  <Form> (3,266)
free base

>  <URL> (3,266)
http://www.selleckchem.com/products/l-tryptophan.html

>  <CAS Number> (3,266)
73-22-3

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/07171813082D

 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> (3,267)
3824

>  <Formula> (3,267)
C9H10N4O4

>  <MolWeight> (3,267)
238.2001

>  <Item Name> (3,267)
Theophylline-7-acetic acid

>  <Catalog Number> (3,267)
S3988

>  <Synonyms> (3,267)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (3,267)
adenosine receptor

>  <Form> (3,267)
free base

>  <URL> (3,267)
http://www.selleckchem.com/products/theophylline-7-acetic.html

>  <CAS Number> (3,267)
652-37-9

$$$$
S3990 Trans-Anethole.cdx
csChFnd80/07171813082D

 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> (3,268)
3826

>  <Formula> (3,268)
C10H12O

>  <MolWeight> (3,268)
148.20168

>  <Item Name> (3,268)
Trans-Anethole

>  <Catalog Number> (3,268)
S3990

>  <Synonyms> (3,268)
4-Propenylanisole

>  <Target> (3,268)
Others

>  <Form> (3,268)
free base

>  <URL> (3,268)
http://www.selleckchem.com/products/trans-tnethole.html

>  <CAS Number> (3,268)
4180-23-8

$$$$
S3991 Ketoisophorone.cdx
csChFnd80/07171813082D

 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> (3,269)
3827

>  <Formula> (3,269)
C9H12O2

>  <MolWeight> (3,269)
152.19038

>  <Item Name> (3,269)
Ketoisophorone

>  <Catalog Number> (3,269)
S3991

>  <Synonyms> (3,269)
4-Oxoisophorone; 2,6,6-Trimethyl-2-cyclohexene-1,4-dione

>  <Target> (3,269)
Others

>  <Form> (3,269)
free base

>  <URL> (3,269)
http://www.selleckchem.com/products/ketoisophorone.html

>  <CAS Number> (3,269)
1125-21-9

$$$$
S3992 D-(+)-Trehalose dihydrate.cdx
csChFnd80/07171813082D

 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> (3,270)
3828

>  <Formula> (3,270)
C12H26O13

>  <MolWeight> (3,270)
378.32704

>  <Item Name> (3,270)
D-(+)-Trehalose dihydrate

>  <Catalog Number> (3,270)
S3992

>  <Synonyms> (3,270)
N/A

>  <Target> (3,270)
Others

>  <Form> (3,270)
dihydrate

>  <URL> (3,270)
http://www.selleckchem.com/products/d-trehalose-dihyd.html

>  <CAS Number> (3,270)
6138-23-4

$$$$
S3993 Ethyl Vanillate.cdx
csChFnd80/07171813082D

 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> (3,271)
3829

>  <Formula> (3,271)
C10H12O4

>  <MolWeight> (3,271)
196.19988

>  <Item Name> (3,271)
Ethyl Vanillate

>  <Catalog Number> (3,271)
S3993

>  <Synonyms> (3,271)
Bourbonal, Ethylprotal

>  <Target> (3,271)
Others

>  <Form> (3,271)
free base

>  <URL> (3,271)
http://www.selleckchem.com/products/ethylvanillate.html

>  <CAS Number> (3,271)
617-05-0

$$$$
S3994 Methyl Cholate.cdx
csChFnd80/07171813082D

 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
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 18 22  1  0  0  0  0
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M  END
>  <Mol_ID> (3,272)
3830

>  <Formula> (3,272)
C25H42O5

>  <MolWeight> (3,272)
422.59798

>  <Item Name> (3,272)
Methyl Cholate

>  <Catalog Number> (3,272)
S3994

>  <Synonyms> (3,272)
Cholic acid methyl ester

>  <Target> (3,272)
Others

>  <Form> (3,272)
free base

>  <URL> (3,272)
http://www.selleckchem.com/products/methyl-cholate.html

>  <CAS Number> (3,272)
1448-36-8

$$$$
S3995 Guaiazulene.cdx
csChFnd80/07171813082D

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    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
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  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
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  7 13  1  0  0  0  0
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M  END
>  <Mol_ID> (3,273)
3831

>  <Formula> (3,273)
C15H18

>  <MolWeight> (3,273)
198.30342

>  <Item Name> (3,273)
Guaiazulene

>  <Catalog Number> (3,273)
S3995

>  <Synonyms> (3,273)
azulon, Vetivazulen

>  <Target> (3,273)
Others

>  <Form> (3,273)
free base

>  <URL> (3,273)
http://www.selleckchem.com/products/guaiazulene.html

>  <CAS Number> (3,273)
489-84-9

$$$$
S3996 Thioctic acid.cdx
csChFnd80/07171813082D

 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
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    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
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    5.8472    2.3752    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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  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (3,274)
3832

>  <Formula> (3,274)
C8H14O2S2

>  <MolWeight> (3,274)
206.32556

>  <Item Name> (3,274)
Thioctic acid

>  <Catalog Number> (3,274)
S3996

>  <Synonyms> (3,274)
DL-¦Á-Lipoic Acid

>  <Target> (3,274)
Others

>  <Form> (3,274)
free base

>  <URL> (3,274)
http://www.selleckchem.com/products/thioctic-acid.html

>  <CAS Number> (3,274)
1077-28-7

$$$$
S3997 Oxaceprol.cdx
csChFnd80/07171813082D

 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
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    4.9939    3.3793    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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  4  8  1  0  0  0  0
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  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> (3,275)
3833

>  <Formula> (3,275)
C7H11NO4

>  <MolWeight> (3,275)
173.16654

>  <Item Name> (3,275)
Oxaceprol

>  <Catalog Number> (3,275)
S3997

>  <Synonyms> (3,275)
N-acetyl-L-hydroxyproline

>  <Target> (3,275)
Others

>  <Form> (3,275)
free base

>  <URL> (3,275)
http://www.selleckchem.com/products/oxaceprol.html

>  <CAS Number> (3,275)
33996-33-7

$$$$
S3998 Lipoic acid.cdx
csChFnd80/07171813082D

 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
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (3,276)
3834

>  <Formula> (3,276)
C8H14O2S2

>  <MolWeight> (3,276)
206.32556

>  <Item Name> (3,276)
(+)-¦Á-Lipoic acid

>  <Catalog Number> (3,276)
S3998

>  <Synonyms> (3,276)
(R)-(+)-¦Á-Lipoic acid, ¦Á-Lipoic acid, Alpha-Lipoic acid

>  <Target> (3,276)
Others

>  <Form> (3,276)
free base

>  <URL> (3,276)
http://www.selleckchem.com/products/alpha-lipoic-acid.html

>  <CAS Number> (3,276)
1200-22-2

$$$$
S3999 ¦Á-santonin.cdx
csChFnd80/07171813082D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8068    2.7493    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6254    3.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0026    3.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4038    2.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0233    4.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4735    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,277)
3835

>  <Formula> (3,277)
C15H18O3

>  <MolWeight> (3,277)
246.30162

>  <Item Name> (3,277)
¦Á-santonin

>  <Catalog Number> (3,277)
S3999

>  <Synonyms> (3,277)
N/A

>  <Target> (3,277)
Others

>  <Form> (3,277)
free base

>  <URL> (3,277)
http://www.selleckchem.com/products/alpha-santonin.html

>  <CAS Number> (3,277)
481-06-1

$$$$
S4812 Ceftizoxime.cdx
csChFnd80/07171813082D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.9527    2.7402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3991    2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3991    4.1455    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9527    4.1455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4293    7.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0358    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669    5.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7407    7.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092    5.1354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0358    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,278)
3836

>  <Formula> (3,278)
C13H13N5O5S2

>  <MolWeight> (3,278)
383.40282

>  <Item Name> (3,278)
Ceftizoxime

>  <Catalog Number> (3,278)
S4812

>  <Synonyms> (3,278)
N/A

>  <Target> (3,278)
Others

>  <Form> (3,278)
free base

>  <URL> (3,278)
http://www.selleckchem.com/products/ceftizoxime.html

>  <CAS Number> (3,278)
68401-81-0

$$$$
S4817 Atenolol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,279)
3837

>  <Formula> (3,279)
C14H22N2O3

>  <MolWeight> (3,279)
266.33608

>  <Item Name> (3,279)
Atenolol

>  <Catalog Number> (3,279)
S4817

>  <Synonyms> (3,279)
Tenormin, Normiten, Blokium

>  <Target> (3,279)
¦Â1 receptor,¦Â2 receptor

>  <Form> (3,279)
free base

>  <URL> (3,279)
http://www.selleckchem.com/products/atenolol.html

>  <CAS Number> (3,279)
29122-68-7

$$$$
S4838 Acotiamide hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,280)
3838

>  <Formula> (3,280)
C21H37ClN4O8S

>  <MolWeight> (3,280)
541.05848

>  <Item Name> (3,280)
Acotiamide hydrochloride

>  <Catalog Number> (3,280)
S4838

>  <Synonyms> (3,280)
YM-443 HCl, Z-338 HCl

>  <Target> (3,280)
acetylcholinesterase

>  <Form> (3,280)
hydrochloride trihydrate

>  <URL> (3,280)
http://www.selleckchem.com/products/acotiamide-hydrochloride.html

>  <CAS Number> (3,280)
773092-05-0

$$$$
S4854 Bedaquiline fumarate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,281)
3839

>  <Formula> (3,281)
C36H35BrN2O6

>  <MolWeight> (3,281)
671.5769

>  <Item Name> (3,281)
Bedaquiline fumarate

>  <Catalog Number> (3,281)
S4854

>  <Synonyms> (3,281)
TMC-207

>  <Target> (3,281)
Antifection

>  <Form> (3,281)
fumarate

>  <URL> (3,281)
http://www.selleckchem.com/products/bedaquiline-fumarate.html

>  <CAS Number> (3,281)
845533-86-0

$$$$
S4927 Cyclen.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,282)
3840

>  <Formula> (3,282)
C8H20N4

>  <MolWeight> (3,282)
172.2712

>  <Item Name> (3,282)
Cyclen

>  <Catalog Number> (3,282)
S4927

>  <Synonyms> (3,282)
1,4,7,10-tetraazacyclododecane

>  <Target> (3,282)
Others

>  <Form> (3,282)
free base

>  <URL> (3,282)
http://www.selleckchem.com/products/cyclen.html

>  <CAS Number> (3,282)
294-90-6

$$$$
S4928 Brivaracetam.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,283)
3841

>  <Formula> (3,283)
C11H20N2O2

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UCB34714

>  <Target> (3,283)
Others

>  <Form> (3,283)
free base

>  <URL> (3,283)
http://www.selleckchem.com/products/brivaracetam.html

>  <CAS Number> (3,283)
357336-20-0

$$$$
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>  <Formula> (3,284)
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>  <Item Name> (3,284)
Cetilistat

>  <Catalog Number> (3,284)
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>  <Synonyms> (3,284)
ATL962

>  <Target> (3,284)
pancreatic lipase

>  <Form> (3,284)
free base

>  <URL> (3,284)
http://www.selleckchem.com/products/cetilistat.html

>  <CAS Number> (3,284)
282526-98-1

$$$$
S4935 Asunaprevir.cdx
csChFnd80/07171813082D

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>  <Formula> (3,285)
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>  <MolWeight> (3,285)
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>  <Item Name> (3,285)
Asunaprevir

>  <Catalog Number> (3,285)
S4935

>  <Synonyms> (3,285)
BMS-650032

>  <Target> (3,285)
hepatitis C virus enzyme serine protease NS

>  <Form> (3,285)
free base

>  <URL> (3,285)
http://www.selleckchem.com/products/asunaprevir.html

>  <CAS Number> (3,285)
630420-16-5

$$$$
S5007 Delamanid.cdx
csChFnd80/07171813082D

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>  <Formula> (3,286)
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>  <Catalog Number> (3,286)
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>  <Synonyms> (3,286)
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>  <Target> (3,286)
Others

>  <Form> (3,286)
free base

>  <URL> (3,286)
http://www.selleckchem.com/products/delamanid.html

>  <CAS Number> (3,286)
681492-22-8

$$$$
S5015 Simeprevir.cdx
csChFnd80/07171813082D

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    8.4870    0.0000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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M  END
>  <Mol_ID> (3,290)
3848

>  <Formula> (3,290)
C16H12O6

>  <MolWeight> (3,290)
300.26288

>  <Item Name> (3,290)
kaempferide

>  <Catalog Number> (3,290)
S3879

>  <Synonyms> (3,290)
4'-Methylkaempferol, 4'-O-Methylkaempferol, Kaempferol 4'-methyl ether

>  <Target> (3,290)
Others

>  <Form> (3,290)
free base

>  <URL> (3,290)
http://selleckchem.com/products/kaempferide.html

>  <CAS Number> (3,290)
491-54-3
491-54-3

$$$$
S4971 Buparvaquone.cdx
csChFnd80/07171813082D

 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
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    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
    3.5768    1.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    1.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7836    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7836    2.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5768    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0829    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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  7 13  1  0  0  0  0
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 10 14  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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M  END
>  <Mol_ID> (3,291)
3850

>  <Formula> (3,291)
C21H26O3

>  <MolWeight> (3,291)
326.42934

>  <Item Name> (3,291)
Buparvaquone

>  <Catalog Number> (3,291)
S4971

>  <Synonyms> (3,291)
Butalex

>  <Target> (3,291)
Anti-infection

>  <Form> (3,291)
free base

>  <URL> (3,291)
http://selleckchem.com/products/buparvaquone.html

>  <CAS Number> (3,291)
491-54-3

$$$$
S4978 Azathramycin.cdx
csChFnd80/07171813082D

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    9.6836    8.4500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,292)
3851

>  <Formula> (3,292)
C37H70N2O12

>  <MolWeight> (3,292)
734.9579

>  <Item Name> (3,292)
Azathramycin

>  <Catalog Number> (3,292)
S4978

>  <Synonyms> (3,292)
Azaerythromycin A, Azaerythromycin

>  <Target> (3,292)
Anti-infection

>  <URL> (3,292)
http://selleckchem.com/products/azathramycin.html

>  <CAS Number> (3,292)
76801-85-9

$$$$
S4980 Anamorelin.cdx
csChFnd80/07171813082D

 40 43  0  0  0  0  0  0  0  0999 V2000
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    8.9902    3.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1002    4.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7198    3.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8020    8.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0451    7.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020    8.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,293)
3852

>  <Formula> (3,293)
C31H42N6O3

>  <MolWeight> (3,293)
546.70358

>  <Item Name> (3,293)
Anamorelin

>  <Catalog Number> (3,293)
S4980

>  <Synonyms> (3,293)
ONO-7643, RC-1291, ST-1291

>  <Target> (3,293)
Others

>  <Form> (3,293)
free base

>  <URL> (3,293)
http://selleckchem.com/products/anamorelin.html

>  <CAS Number> (3,293)
249921-19-5

$$$$
S4981 Cyclogalegenol.cdx
csChFnd80/07171813082D

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   10.0428    6.4943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,294)
3853

>  <Formula> (3,294)
C30H50O5

>  <MolWeight> (3,294)
490.715

>  <Item Name> (3,294)
Cyclogalegenol

>  <Catalog Number> (3,294)
S4981

>  <Synonyms> (3,294)
Astramembrangenin, Cyclosieversigenin

>  <Target> (3,294)
Telomerase

>  <URL> (3,294)
http://selleckchem.com/products/cyclogalegenol.html

>  <CAS Number> (3,294)
78574-94-4

$$$$
S5033 Terconazole.cdx
csChFnd80/07171813082D

 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
   15.4554    7.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3877   11.0932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6228    8.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   16.3495    9.9605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    2.1022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7801   11.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,295)
3854

>  <Formula> (3,295)
C26H31Cl2N5O3

>  <MolWeight> (3,295)
532.46204

>  <Item Name> (3,295)
Terconazole

>  <Catalog Number> (3,295)
S5033

>  <Synonyms> (3,295)
Terazol 3, Terazol 7, Triaconazole, Gyno-Terazol 

>  <Target> (3,295)
Anti-infection

>  <Form> (3,295)
free base

>  <URL> (3,295)
http://selleckchem.com/products/terconazole.html

>  <CAS Number> (3,295)
67915-31-5

$$$$
S5049 Thiocolchicoside.cdx
csChFnd80/07171813082D

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    8.3692    5.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,296)
3855

>  <Formula> (3,296)
C27H33NO10S

>  <MolWeight> (3,296)
563.61662

>  <Item Name> (3,296)
Thiocolchicoside

>  <Catalog Number> (3,296)
S5049

>  <Synonyms> (3,296)
Thiocolchicine 2-glucoside analog, Coltramyl

>  <Target> (3,296)
GABA Receptor

>  <URL> (3,296)
http://selleckchem.com/products/thiocolchicoside.html

>  <CAS Number> (3,296)
602-41-5

$$$$
2-D08.cdx
csChFnd80/07171813082D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,297)
3856

>  <Formula> (3,297)
C15H10O5

>  <MolWeight> (3,297)
270.2369

>  <Item Name> (3,297)
2-D08
2-D08

>  <Catalog Number> (3,297)
S8696

>  <Synonyms> (3,297)
2',3',4'-trihydroxy flavone

>  <Target> (3,297)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (3,297)
free base

>  <URL> (3,297)
http://selleckchem.com/products/2-d08.html

>  <CAS Number> (3,297)
144707-18-6

$$$$
S3074 Chlortalidone.cdx
csChFnd80/07171813082D

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 18 21  2  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,298)
3857

>  <Formula> (3,298)
C14H11ClN2O4S

>  <MolWeight> (3,298)
338.76614

>  <Item Name> (3,298)
Chlorthalidone

>  <Catalog Number> (3,298)
S3074

>  <Synonyms> (3,298)
Chlortalidone

>  <Target> (3,298)
Others

>  <Form> (3,298)
free base

>  <URL> (3,298)
http://selleckchem.com/products/chlorthalidone-chlortalidone.html

>  <CAS Number> (3,298)
77-36-1

$$$$
S3843 Madecassoside.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,299)
3858

>  <Formula> (3,299)
C48H78O20

>  <MolWeight> (3,299)
975.12092

>  <Item Name> (3,299)
Madecassoside

>  <Catalog Number> (3,299)
S3843

>  <Synonyms> (3,299)
Asiaticoside A

>  <Target> (3,299)
Others

>  <Form> (3,299)
free base
free base
free bas

>  <URL> (3,299)
http://selleckchem.com/products/madecassoside.html

>  <CAS Number> (3,299)
34540-22-2

$$$$
S4867 Propacetamol hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,300)
3859

>  <Formula> (3,300)
C14H21ClN2O3

>  <MolWeight> (3,300)
300.78114

>  <Item Name> (3,300)
Propacetamol hydrochloride

>  <Catalog Number> (3,300)
S4867

>  <Synonyms> (3,300)
N/A

>  <Target> (3,300)
Others

>  <Form> (3,300)
hydrochloride 

>  <URL> (3,300)
http://selleckchem.com/products/propacetamol-hydrochloride.html

>  <CAS Number> (3,300)
66532-86-3

$$$$
S4896 Elagolix Sodium.cdx
csChFnd80/07171813082D

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   12.0263    7.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6057    2.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1850    4.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9768    4.9558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5224    4.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1427    2.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5215    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0003    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1004    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7217    0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2428    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8181    9.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8181   10.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6057   11.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3932   10.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3932    9.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1850    8.4533    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1850   11.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1850   12.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7686    4.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9768    6.3509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7686    7.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7686    8.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603    9.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603   10.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521   11.2339    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7686   11.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5561    4.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3437    4.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3437    2.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5561    2.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7686    2.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4182    3.4568    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8477    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8477    2.9538    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8477    0.1635    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4525    1.5587    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.1361    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  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  2  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  3 10  2  0  0  0  0
  2 11  1  0  0  0  0
 12 11  1  1  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  8 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  2  0  0  0  0
 24  8  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
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 28 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 28  1  0  0  0  0
 15 41  1  0  0  0  0
 19 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
M  END
>  <Mol_ID> (3,301)
3860

>  <Formula> (3,301)
C32H29F5N3NaO5

>  <MolWeight> (3,301)
653.571546

>  <Item Name> (3,301)
Elagolix Sodium

>  <Catalog Number> (3,301)
S4896

>  <Synonyms> (3,301)
NBI-56418, ABT-620

>  <Target> (3,301)
Estrogen/progestogen Receptor

>  <URL> (3,301)
http://selleckchem.com/products/elagolix-sodium.html

>  <CAS Number> (3,301)
832720-36-2

$$$$
S4985 Dimetghyl4-Hydroxyisophthalate.cdx
csChFnd80/07171813082D

 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> (3,302)
3861

>  <Formula> (3,302)
C10H10O5

>  <MolWeight> (3,302)
210.1834

>  <Item Name> (3,302)
Dimetghyl 4-Hydroxyisophthalate

>  <Catalog Number> (3,302)
S4985

>  <Synonyms> (3,302)
4-Hydroxyisophthalic acid dimethyl ester

>  <Target> (3,302)
Others

>  <Form> (3,302)
free base

>  <URL> (3,302)
http://selleckchem.com/products/dimetghyl4-hydroxyisophthalate.html

>  <CAS Number> (3,302)
5985-24-0

$$$$
S4989 Aminooxyacetic acid hemihydrochloride.cdx
csChFnd80/07171813082D

  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> (3,303)
3863

>  <Formula> (3,303)
C2H5NO3R

>  <MolWeight> (3,303)
91.066

>  <Item Name> (3,303)
AOA hemihydrochloride

>  <Catalog Number> (3,303)
S4989

>  <Synonyms> (3,303)
Carboxymethoxylamine hemihydrochloride, AOAA hemihydrochloride, AOA hemihydrochloride

>  <Target> (3,303)
Transferase

>  <Form> (3,303)
hemihydrochloride

>  <URL> (3,303)
http://selleckchem.com/products/aminooxyacetic-acid-hemihydrochloride.html

>  <CAS Number> (3,303)
2921-14-4

$$$$
S4990 TBHQ.cdx
csChFnd80/07171813082D

 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> (3,304)
3864

>  <Formula> (3,304)
C10H14O2

>  <MolWeight> (3,304)
166.21696

>  <Item Name> (3,304)
TBHQ

>  <Catalog Number> (3,304)
S4990

>  <Synonyms> (3,304)
Tert-butylhydroquinone

>  <Target> (3,304)
Nrf2

>  <Form> (3,304)
free base

>  <URL> (3,304)
http://selleckchem.com/products/tbhq.html

>  <CAS Number> (3,304)
1948-33-0

$$$$
S5023 Nadolol.cdx
csChFnd80/07171813082D

 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
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    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> (3,305)
3865

>  <Formula> (3,305)
C17H27NO4

>  <MolWeight> (3,305)
309.40058

>  <Item Name> (3,305)
Nadolol

>  <Catalog Number> (3,305)
S5023

>  <Synonyms> (3,305)
Corgard, Solgol, Anabet

>  <Target> (3,305)
Androgen Receptor

>  <Form> (3,305)
free base

>  <URL> (3,305)
http://selleckchem.com/products/nadolol.html

>  <CAS Number> (3,305)
42200-33-9

$$$$
S5025 Efinaconazole.cdx
csChFnd80/07171813082D

 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
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  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> (3,306)
3866

>  <Formula> (3,306)
C18H22F2N4O

>  <MolWeight> (3,306)
348.3902864

>  <Item Name> (3,306)
Efinaconazole

>  <Catalog Number> (3,306)
S5025

>  <Synonyms> (3,306)
KP-103

>  <Target> (3,306)
Anti-infection

>  <Form> (3,306)
free base

>  <URL> (3,306)
http://selleckchem.com/products/efinaconazole.html

>  <CAS Number> (3,306)
164650-44-6

$$$$
S5030 Dihydralazine sulphate.cdx
csChFnd80/07171813082D

 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
    1.2124    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.9998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5819    2.2051    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3696    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7944    1.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2819    3.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
 13 14  1  0  0  0  0
  1 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,307)
3867

>  <Formula> (3,307)
C8H12N6O4S

>  <MolWeight> (3,307)
288.28368

>  <Item Name> (3,307)
Dihydralazine sulphate

>  <Catalog Number> (3,307)
S5030

>  <Synonyms> (3,307)
Nepresol; Depressan; 1,4-Dihydrazinophthalazine sulfate; Hydralazine sulfate

>  <Target> (3,307)
Others

>  <URL> (3,307)
http://selleckchem.com/products/dihydralazine-sulphate.html

>  <CAS Number> (3,307)
7327-87-9

$$$$
S5031 Sulfaquinoxaline sodium.cdx
csChFnd80/07171813082D

 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
    8.4870    0.0000    0.0000 N   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 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
    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
    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
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598    1.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8397    1.1101    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
  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> (3,308)
3868

>  <Formula> (3,308)
C14H11N4NaO2S

>  <MolWeight> (3,308)
322.31751

>  <Item Name> (3,308)
Sulfaquinoxaline sodium

>  <Catalog Number> (3,308)
S5031

>  <Synonyms> (3,308)
SQ-Na

>  <Target> (3,308)
Anti-infection

>  <Form> (3,308)
sodium salt

>  <URL> (3,308)
http://selleckchem.com/products/sulfaquinoxaline-sodium.html

>  <CAS Number> (3,308)
967-80-6

$$$$
S5036 Nisin.cdx
csChFnd80/07171813082D

229236  0  0  0  0  0  0  0  0999 V2000
   34.4708   13.4816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.4840   14.9094    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   33.2151   12.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9688   13.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7266   15.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2286   15.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9728   13.5080    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   33.2151   11.4199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.9688   14.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9728   14.9094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.2286   17.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9065   10.2435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.7301   12.8078    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   33.1492    9.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4745   13.5080    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.7301   11.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4745   14.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1492    8.3268    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   34.3521   10.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2456   12.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9635   14.9094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7344   16.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1047    7.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   26.9764   13.5080    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.1047    6.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2240    8.3268    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.7341   12.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0740    6.0007    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   33.1492    6.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.2552    7.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7473   11.3804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4784   13.4816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.0740    4.8376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0563    6.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2552    6.5821    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.5049   10.6931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.1047    4.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   35.1975    6.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.5049    9.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2626   11.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   35.2240    4.8376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   34.1934    4.2563    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   34.1934    3.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4932    3.0269    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   40.4187    6.5821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.3875    4.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0599    6.4369    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   35.2240    2.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.5638    3.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4799    1.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.4762    6.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4187    4.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8174    7.1375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.0464    7.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.5880    6.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,309)
3869

>  <Formula> (3,309)
C143H230N42O37S7

>  <MolWeight> (3,309)
3354.0705

>  <Item Name> (3,309)
Nisin

>  <Catalog Number> (3,309)
S5036

>  <Synonyms> (3,309)
Ambicin N

>  <Target> (3,309)
Anti-infection

>  <URL> (3,309)
http://selleckchem.com/products/nisin.html

>  <CAS Number> (3,309)
1414-45-5

$$$$
S5047 Methyl ¦Á-D-mannopyranoside.cdx
csChFnd80/07171813082D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  5 10  1  1  0  0  0
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M  END
>  <Mol_ID> (3,310)
3870

>  <Formula> (3,310)
C7H14O6

>  <MolWeight> (3,310)
194.18246

>  <Item Name> (3,310)
Methyl ¦Á-D-mannopyranoside

>  <Catalog Number> (3,310)
S5047

>  <Synonyms> (3,310)
N/A

>  <Target> (3,310)
Others

>  <Form> (3,310)
free base

>  <URL> (3,310)
http://selleckchem.com/products/methyl-alpha-d-mannopyranoside.html

>  <CAS Number> (3,310)
617-04-9

$$$$
S5055 Milbemycin Oxime.cdx
csChFnd80/07171813082D

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 10  2  1  0  0  0  0
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 35  8  1  0  0  0  0
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 34 29  1  0  0  0  0
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A   36
R
A   44
R=CH3(80%);R=CH2CH3(20%)
M  END
>  <Mol_ID> (3,311)
3871

>  <Formula> (3,311)
C30H40NO7R2

>  <MolWeight> (3,311)
526.6411

>  <Item Name> (3,311)
Milbemycin Oxime

>  <Catalog Number> (3,311)
S5055

>  <Synonyms> (3,311)
N/A

>  <Target> (3,311)
Anti-infection

>  <URL> (3,311)
http://selleckchem.com/products/milbemycin-oxime.html

>  <CAS Number> (3,311)
129496-10-2

$$$$
S5059 Pixantrone Maleate.cdx
csChFnd80/07171813082D

 40 40  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,312)
3873

>  <Formula> (3,312)
C25H27N5O10

>  <MolWeight> (3,312)
557.50938

>  <Item Name> (3,312)
Pixantrone Maleate

>  <Catalog Number> (3,312)
S5059

>  <Synonyms> (3,312)
BBR-2778

>  <Target> (3,312)
Topoisomerase

>  <Form> (3,312)
dimaleate

>  <URL> (3,312)
http://selleckchem.com/products/pixantrone-maleate.html

>  <CAS Number> (3,312)
144675-97-8

$$$$
S5070 Mupirocin calcium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,313)
3875

>  <Formula> (3,313)
C52H90CaO20

>  <MolWeight> (3,313)
1075.337

>  <Item Name> (3,313)
Mupirocin calcium

>  <Catalog Number> (3,313)
S5070

>  <Synonyms> (3,313)
pseudomonic acid A

>  <Target> (3,313)
Anti-infection

>  <Form> (3,313)
calcium salt dihydrate

>  <URL> (3,313)
http://selleckchem.com/products/mupirocin-calcium.html

>  <CAS Number> (3,313)
115074-43-6

$$$$
S5076 Xipamide.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,314)
3876

>  <Formula> (3,314)
C15H15ClN2O4S

>  <MolWeight> (3,314)
354.8086

>  <Item Name> (3,314)
Xipamide

>  <Catalog Number> (3,314)
S5076

>  <Synonyms> (3,314)
N/A

>  <Target> (3,314)
Others

>  <Form> (3,314)
free base

>  <URL> (3,314)
http://selleckchem.com/products/xipamide.html

>  <CAS Number> (3,314)
14293-44-8

$$$$
S5083 Lentinan.cdx
csChFnd80/07171813082D

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 35 43  1  0  0  0  0
 37 44  1  0  0  0  0
 37 45  1  6  0  0  0
 38 46  1  0  0  0  0
 38 47  1  6  0  0  0
 39 48  1  0  0  0  0
 39 49  1  1  0  0  0
 40 50  1  1  0  0  0
 44 51  1  1  0  0  0
 44 52  1  0  0  0  0
 46 53  1  1  0  0  0
 48 54  1  6  0  0  0
 49 55  1  0  0  0  0
 56 51  1  1  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
 57 59  1  0  0  0  0
 57 60  1  6  0  0  0
 58 61  1  0  0  0  0
 58 62  1  6  0  0  0
 59 63  1  0  0  0  0
 61 64  1  1  0  0  0
 66 65  1  1  0  0  0
 66 67  1  0  0  0  0
 66 68  1  0  0  0  0
 67 69  1  0  0  0  0
 68 70  1  0  0  0  0
 68 71  1  6  0  0  0
 69 72  1  0  0  0  0
 69 73  1  1  0  0  0
 70 74  1  1  0  0  0
 72 75  1  6  0  0  0
 73 76  1  0  0  0  0
  8  9  1  0  0  0  0
 18 24  1  0  0  0  0
 28 34  1  0  0  0  0
 40 48  1  0  0  0  0
 46 52  1  0  0  0  0
 61 63  1  0  0  0  0
 70 72  1  0  0  0  0
 59 77  1  1  0  0  0
 77 78  1  0  0  0  0
 53 65  1  0  0  0  0
 50 79  1  0  0  0  0
A   80
n
A   81
n
M  END
>  <Mol_ID> (3,315)
3877

>  <Formula> (3,315)
C42H70O35R2

>  <MolWeight> (3,315)
1134.9842

>  <Item Name> (3,315)
Lentinan

>  <Catalog Number> (3,315)
S5083

>  <Synonyms> (3,315)
A823605, Bromoduline

>  <Target> (3,315)
Immunology & Inflammation related

>  <URL> (3,315)
http://selleckchem.com/products/lentinan.html

>  <CAS Number> (3,315)
37339-90-5

$$$$
S5085 Azamethiphos.cdx
csChFnd80/07171813082D

 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
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    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> (3,316)
3878

>  <Formula> (3,316)
C9H10ClN2O5PS

>  <MolWeight> (3,316)
324.677861

>  <Item Name> (3,316)
Azamethiphos

>  <Catalog Number> (3,316)
S5085

>  <Synonyms> (3,316)
N/A

>  <Target> (3,316)
Others

>  <Form> (3,316)
free base

>  <URL> (3,316)
http://selleckchem.com/products/azamethiphos.html

>  <CAS Number> (3,316)
35575-96-3

$$$$
S5086 p-Anisaldehyde.cdx
csChFnd80/07171813082D

 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> (3,317)
3879

>  <Formula> (3,317)
C8H8O2

>  <MolWeight> (3,317)
136.14792

>  <Item Name> (3,317)
p-Anisaldehyde

>  <Catalog Number> (3,317)
S5086

>  <Synonyms> (3,317)
4-Methoxybenzaldehyde, Anisaldehyde, Anisic aldehyde, P-Methoxybenzaldehyde, 4-Anisaldehyde

>  <Target> (3,317)
Anti-infection

>  <Form> (3,317)
free base

>  <URL> (3,317)
http://selleckchem.com/products/p-anisaldehyde.html

>  <CAS Number> (3,317)
123-11-5

$$$$
S5089 4-Isopropylbenzaldehyde.cdx
csChFnd80/07171813082D

 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> (3,318)
3880

>  <Formula> (3,318)
C10H12O

>  <MolWeight> (3,318)
148.20168

>  <Item Name> (3,318)
4-Isopropylbenzaldehyde

>  <Catalog Number> (3,318)
S5089

>  <Synonyms> (3,318)
Cuminaldehyde, Cuminic aldehyde, Cuminal

>  <Target> (3,318)
Others

>  <Form> (3,318)
free base

>  <URL> (3,318)
http://selleckchem.com/products/4-isopropylbenzaldehyde.html

>  <CAS Number> (3,318)
122-03-2

$$$$
S5090 4-Isopropylbenzyl Alcohol.cdx
csChFnd80/07171813082D

 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> (3,319)
3881

>  <Formula> (3,319)
C10H14O

>  <MolWeight> (3,319)
150.21756

>  <Item Name> (3,319)
4-Isopropylbenzyl Alcohol

>  <Catalog Number> (3,319)
S5090

>  <Synonyms> (3,319)
Cumic alcohol, Cuminyl alcohol, Cuminic alcohol

>  <Target> (3,319)
Others

>  <Form> (3,319)
free base

>  <URL> (3,319)
http://selleckchem.com/products/4-isopropylbenzyl-alcohol.html

>  <CAS Number> (3,319)
536-60-7

$$$$
S5091 Geranyl acetate.cdx
csChFnd80/07171813082D

 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> (3,320)
3882

>  <Formula> (3,320)
C12H20O2

>  <MolWeight> (3,320)
196.286

>  <Item Name> (3,320)
Geranyl acetate

>  <Catalog Number> (3,320)
S5091

>  <Synonyms> (3,320)
Geraniol acetate, Geranyl ethanoate

>  <Target> (3,320)
Others

>  <Form> (3,320)
free base

>  <URL> (3,320)
http://selleckchem.com/products/geranyl-acetate.html

>  <CAS Number> (3,320)
105-87-3

$$$$
S5094 Maduramycin Ammonium.cdx
csChFnd80/07171813082D

 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
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   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
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   17.8097   10.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0756    7.2786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
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   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
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 10 15  1  0  0  0  0
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 16 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
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 23 28  1  0  0  0  0
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 27 33  1  0  0  0  0
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 29 36  1  0  0  0  0
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 30 38  1  0  0  0  0
 31 39  1  1  0  0  0
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 43 49  1  0  0  0  0
 46 50  1  0  0  0  0
 47 51  1  0  0  0  0
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 49 53  1  0  0  0  0
 49 54  1  1  0  0  0
 50 55  1  0  0  0  0
 50 56  1  6  0  0  0
 51 57  1  6  0  0  0
 52 58  1  0  0  0  0
 52 59  1  6  0  0  0
 52 60  1  1  0  0  0
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 61 64  1  0  0  0  0
  6  8  1  0  0  0  0
  9 13  1  0  0  0  0
 20 21  1  0  0  0  0
 28 31  1  0  0  0  0
 36 38  1  0  0  0  0
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 53 58  1  0  0  0  0
  7 65  1  1  0  0  0
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M  END
>  <Mol_ID> (3,321)
3883

>  <Formula> (3,321)
C47H83NO17

>  <MolWeight> (3,321)
934.15842

>  <Item Name> (3,321)
Maduramycin Ammonium

>  <Catalog Number> (3,321)
S5094

>  <Synonyms> (3,321)
N/A

>  <Target> (3,321)
Anti-infection

>  <URL> (3,321)
http://selleckchem.com/products/maduramycin-ammonium.html

>  <CAS Number> (3,321)
84878-61-5

$$$$
S5096 SulfadiMethoxine sodiuM.cdx
csChFnd80/07171813082D

 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
    7.5220    1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.9469    1.6009    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  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> (3,322)
3884

>  <Formula> (3,322)
C12H13N4NaO4S

>  <MolWeight> (3,322)
332.31079

>  <Item Name> (3,322)
SulfadiMethoxine sodium

>  <Catalog Number> (3,322)
S5096

>  <Synonyms> (3,322)
Sulfadimethoxydiazine sodium

>  <Target> (3,322)
Anti-infection

>  <Form> (3,322)
sodium salt

>  <URL> (3,322)
http://selleckchem.com/products/sulfadiMethoxine-sodium.html

>  <CAS Number> (3,322)
1037-50-9

$$$$
S5099 4-Aminophenylarsonic acid.cdx
csChFnd80/07171813082D

 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
    5.5892    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9895    1.3978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4800    2.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0922    2.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    1.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3791    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
  1  5  2  0  0  0  0
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  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,323)
3885

>  <Formula> (3,323)
C6H8AsNO3

>  <MolWeight> (3,323)
217.05422

>  <Item Name> (3,323)
4-Aminophenylarsonic acid

>  <Catalog Number> (3,323)
S5099

>  <Synonyms> (3,323)
Arsanilic acid, p-arsanilic acid

>  <Target> (3,323)
Anti-infection

>  <Form> (3,323)
free base

>  <URL> (3,323)
http://selleckchem.com/products/4-aminophenylarsonic-acid.html

>  <CAS Number> (3,323)
98-50-0

$$$$
S5200 Diaveridine.cdx
csChFnd80/07171813082D

 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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    8.4957    4.1866    0.0000 N   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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  4  7  2  0  0  0  0
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 10 15  1  0  0  0  0
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 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,324)
3886

>  <Formula> (3,324)
C13H16N4O2

>  <MolWeight> (3,324)
260.29174

>  <Item Name> (3,324)
Diaveridine

>  <Catalog Number> (3,324)
S5200

>  <Synonyms> (3,324)
AI3-23935, CCRIS-3784

>  <Target> (3,324)
DHFR

>  <Form> (3,324)
free base

>  <URL> (3,324)
http://selleckchem.com/products/diaveridine.html

>  <CAS Number> (3,324)
5355-16-8

$$$$
S5201 Acetylisovaleryltylosin Tartrate.cdx
csChFnd80/07171813082D

 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
   10.7599    9.4576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.1306    8.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3321    7.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.2000    8.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    9.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8821   11.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0630   12.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8225    9.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0349   10.2059    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3597    9.5134    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3169    8.0486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   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
   26.0641   10.5088    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.4049    9.7577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.6980   10.6626    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.6182   12.1283    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.2962   12.6652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.0716   11.9041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1846   14.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7623   12.9353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.9529   10.0418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1179   10.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,325)
3887

>  <Formula> (3,325)
C57H93NO25

>  <MolWeight> (3,325)
1192.34002

>  <Item Name> (3,325)
Acetylisovaleryltylosin Tartrate

>  <Catalog Number> (3,325)
S5201

>  <Synonyms> (3,325)
AK105039

>  <Target> (3,325)
Anti-infection

>  <Form> (3,325)
tartrate

>  <URL> (3,325)
http://selleckchem.com/products/acetylisovaleryltylosin-tartrate.html

>  <CAS Number> (3,325)
63428-13-7

$$$$
S5202 Quinocetone.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,326)
3888

>  <Formula> (3,326)
C18H14N2O3

>  <MolWeight> (3,326)
306.31536

>  <Item Name> (3,326)
Quinocetone

>  <Catalog Number> (3,326)
S5202

>  <Synonyms> (3,326)
N/A

>  <Target> (3,326)
Anti-infection

>  <Form> (3,326)
free base

>  <URL> (3,326)
http://selleckchem.com/products/quinocetone.html

>  <CAS Number> (3,326)
81810-66-4

$$$$
S5206 Benzylpenicillin potassiuM.cdx
csChFnd80/07171813082D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,327)
3889

>  <Formula> (3,327)
C16H17KN2O4S

>  <MolWeight> (3,327)
372.48048

>  <Item Name> (3,327)
Benzylpenicillin potassium

>  <Catalog Number> (3,327)
S5206

>  <Synonyms> (3,327)
Penicillin G potassium

>  <Target> (3,327)
Anti-infection

>  <Form> (3,327)
potassium salt

>  <URL> (3,327)
http://selleckchem.com/products/benzylpenicillin-potassium.html

>  <CAS Number> (3,327)
113-98-4

$$$$
S5208 Ciprofloxacin hydrochloride hydrate.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (3,328)
3890

>  <Formula> (3,328)
C17H21ClFN3O4

>  <MolWeight> (3,328)
385.8177432

>  <Item Name> (3,328)
Ciprofloxacin hydrochloride hydrate

>  <Catalog Number> (3,328)
S5208

>  <Synonyms> (3,328)
Ciloxan, Ceprimax, Oftacilox

>  <Target> (3,328)
Anti-infection

>  <Form> (3,328)
hydrochloride hydrate

>  <URL> (3,328)
http://selleckchem.com/products/ciprofloxacin-hydrochloride-hydrate.html

>  <CAS Number> (3,328)
86393-32-0

$$$$
S5211 4-Aminosalicylic acid.cdx
csChFnd80/07171813082D

 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
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M  END
>  <Mol_ID> (3,329)
3893

>  <Formula> (3,329)
C7H7NO3

>  <MolWeight> (3,329)
153.13538

>  <Item Name> (3,329)
4-Aminosalicylic acid

>  <Catalog Number> (3,329)
S5211

>  <Synonyms> (3,329)
para-aminosalicylic acid, Aminosalicylic acid, 4-aminosalicylate

>  <Target> (3,329)
Anti-infection

>  <Form> (3,329)
free base

>  <URL> (3,329)
http://selleckchem.com/products/4-aminosalicylic-acid.html

>  <CAS Number> (3,329)
65-49-6

$$$$
S5212 Imidazolidinyl Urea.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,330)
3894

>  <Formula> (3,330)
C11H16N8O8

>  <MolWeight> (3,330)
388.29354

>  <Item Name> (3,330)
Imidazolidinyl Urea

>  <Catalog Number> (3,330)
S5212

>  <Synonyms> (3,330)
Imidurea

>  <Target> (3,330)
Anti-infection

>  <Form> (3,330)
free base

>  <URL> (3,330)
http://selleckchem.com/products/imidazolidinyl-urea.html

>  <CAS Number> (3,330)
39236-46-9

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,331)
3895

>  <Formula> (3,331)
C26H23F4N9O

>  <MolWeight> (3,331)
553.5141328

>  <Item Name> (3,331)
Itacitinib (INCB39110)

>  <Catalog Number> (3,331)
S7812

>  <Synonyms> (3,331)
N/A

>  <Target> (3,331)
JAK

>  <Form> (3,331)
free base

>  <URL> (3,331)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

>  <CAS Number> (3,331)
1334298-90-6

$$$$
GDC-0810.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,332)
3896

>  <Formula> (3,332)
C26H20ClFN2O2

>  <MolWeight> (3,332)
446.9006032

>  <Item Name> (3,332)
Brilanestrant (GDC-0810, ARN-810)

>  <Catalog Number> (3,332)
S7855

>  <Synonyms> (3,332)
N/A

>  <Target> (3,332)
Estrogen/progestogen Receptor

>  <Form> (3,332)
free base

>  <URL> (3,332)
http://selleckchem.com/products/brilanestrant-gdc-0810-arn-810.html

>  <CAS Number> (3,332)
1365888-06-7

$$$$
SR-18292.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,333)
3897

>  <Formula> (3,333)
C23H30N2O2

>  <MolWeight> (3,333)
366.4965

>  <Item Name> (3,333)
SR-18292

>  <Catalog Number> (3,333)
S8528

>  <Synonyms> (3,333)
N/A

>  <Target> (3,333)
Others

>  <Form> (3,333)
free base

>  <URL> (3,333)
http://selleckchem.com/products/sr-18292.html

>  <CAS Number> (3,333)
2095432-55-4

$$$$
IWP-O1.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,334)
3898

>  <Formula> (3,334)
C26H20N6O

>  <MolWeight> (3,334)
432.4766

>  <Item Name> (3,334)
IWP-O1

>  <Catalog Number> (3,334)
S8645

>  <Synonyms> (3,334)
N/A

>  <Target> (3,334)
Wnt/beta-catenin

>  <Form> (3,334)
free base

>  <URL> (3,334)
http://selleckchem.com/products/iwp-O1.html

>  <CAS Number> (3,334)
2074607-48-8

$$$$
S3776 Sophoricoside.cdx
csChFnd80/07171813082D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,335)
3899

>  <Formula> (3,335)
C21H20O10

>  <MolWeight> (3,335)
432.3775

>  <Item Name> (3,335)
Sophoricoside

>  <Catalog Number> (3,335)
S3776

>  <Synonyms> (3,335)
N/A

>  <Target> (3,335)
Immunology & Inflammation related

>  <URL> (3,335)
http://selleckchem.com/products/sophoricoside.html

>  <CAS Number> (3,335)
152-95-4

$$$$
S4834 Propantheline bromide.cdx
csChFnd80/07171813082D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,336)
3900

>  <Formula> (3,336)
C23H30BrNO3

>  <MolWeight> (3,336)
448.3932

>  <Item Name> (3,336)
Propantheline bromide

>  <Catalog Number> (3,336)
S4834

>  <Synonyms> (3,336)
Pro-Banthine, Neometantyl, Neopepulsan

>  <Target> (3,336)
AChR

>  <Form> (3,336)
bromide 

>  <URL> (3,336)
http://selleckchem.com/products/propantheline-bromide.html

>  <CAS Number> (3,336)
50-34-0

$$$$
S4877 Eperisone hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,337)
3901

>  <Formula> (3,337)
C17H26ClNO

>  <MolWeight> (3,337)
295.84744

>  <Item Name> (3,337)
Eperisone hydrochloride

>  <Catalog Number> (3,337)
S4877

>  <Synonyms> (3,337)
N/A

>  <Target> (3,337)
Others

>  <Form> (3,337)
hydrochloride 

>  <URL> (3,337)
http://selleckchem.com/products/eperisone-hydrochloride.html

>  <CAS Number> (3,337)
56839-43-1

$$$$
S4878 Neticonazole Hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,338)
3902

>  <Formula> (3,338)
C17H23ClN2OS

>  <MolWeight> (3,338)
338.89532

>  <Item Name> (3,338)
Neticonazole Hydrochloride

>  <Catalog Number> (3,338)
S4878

>  <Synonyms> (3,338)
N/A

>  <Target> (3,338)
Anti-infection

>  <Form> (3,338)
hydrochloride 

>  <URL> (3,338)
http://selleckchem.com/products/neticonazole-hydrochloride.html

>  <CAS Number> (3,338)
130773-02-3

$$$$
S4991 Valpromide.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,339)
3904

>  <Formula> (3,339)
C8H17NO

>  <MolWeight> (3,339)
143.22668

>  <Item Name> (3,339)
Valpromide

>  <Catalog Number> (3,339)
S4991

>  <Synonyms> (3,339)
Depamide, Dipropylacetamide, 2-propylpentanamide

>  <Target> (3,339)
Others

>  <Form> (3,339)
free base

>  <URL> (3,339)
http://selleckchem.com/products/valpromide.html

>  <CAS Number> (3,339)
2430-27-5

$$$$
S4994 Methylcobalamin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,340)
3905

>  <Formula> (3,340)
C63H91CoN13O14P

>  <MolWeight> (3,340)
1344.382301

>  <Item Name> (3,340)
Methylcobalamin

>  <Catalog Number> (3,340)
S4994

>  <Synonyms> (3,340)
Mecobalamin, Vancomin, Methycobal, Cobametin

>  <Target> (3,340)
Vitamin

>  <Form> (3,340)
inner salt

>  <URL> (3,340)
http://selleckchem.com/products/methylcobalamin.html

>  <CAS Number> (3,340)
13422-55-4

$$$$
S5039 Actarit.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,341)
3906

>  <Formula> (3,341)
C10H11NO3

>  <MolWeight> (3,341)
193.19924

>  <Item Name> (3,341)
Actarit

>  <Catalog Number> (3,341)
S5039

>  <Synonyms> (3,341)
4-acetylaminophenylacetic acid

>  <Target> (3,341)
Immunology & Inflammation related

>  <Form> (3,341)
free base

>  <URL> (3,341)
http://selleckchem.com/products/actarit.html

>  <CAS Number> (3,341)
18699-02-0

$$$$
S5043 Benorylate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,342)
3907

>  <Formula> (3,342)
C17H15NO5

>  <MolWeight> (3,342)
313.3047

>  <Item Name> (3,342)
Benorylate
Benorylate

>  <Catalog Number> (3,342)
S5043

>  <Synonyms> (3,342)
Benorilate, Benoral, Benortan

>  <Target> (3,342)
Immunology & Inflammation related

>  <Form> (3,342)
free base

>  <URL> (3,342)
http://selleckchem.com/products/benorylate.html

>  <CAS Number> (3,342)
5003-48-5

$$$$
S5045 Nomilin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,343)
3908

>  <Formula> (3,343)
C28H34O9

>  <MolWeight> (3,343)
514.56416

>  <Item Name> (3,343)
Nomilin

>  <Catalog Number> (3,343)
S5045

>  <Synonyms> (3,343)
N/A

>  <Target> (3,343)
Others

>  <Form> (3,343)
free base

>  <URL> (3,343)
http://selleckchem.com/products/nomilin.html

>  <CAS Number> (3,343)
1063-77-0

$$$$
S5052 Granisetron.cdx
csChFnd80/07171813082D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,344)
3909

>  <Formula> (3,344)
C18H24N4O

>  <MolWeight> (3,344)
312.40936

>  <Item Name> (3,344)
Granisetron

>  <Catalog Number> (3,344)
S5052

>  <Synonyms> (3,344)
Sancuso, Kevatril, Granisetronum, Sustol

>  <Target> (3,344)
5-HT Receptor

>  <URL> (3,344)
http://selleckchem.com/products/granisetron.html

>  <CAS Number> (3,344)
109889-09-0

$$$$
S5058 Revaprazan Hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,345)
3910

>  <Formula> (3,345)
C22H24ClFN4

>  <MolWeight> (3,345)
398.9041632

>  <Item Name> (3,345)
Revaprazan Hydrochloride

>  <Catalog Number> (3,345)
S5058

>  <Synonyms> (3,345)
YH1885

>  <Target> (3,345)
Proton Pump

>  <URL> (3,345)
http://selleckchem.com/products/revaprazan-hydrochloride.html

>  <CAS Number> (3,345)
178307-42-1

$$$$
S5062 Daclatasvir Digydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,346)
3911

>  <Formula> (3,346)
C40H52Cl2N8O6

>  <MolWeight> (3,346)
811.79688

>  <Item Name> (3,346)
Daclatasvir Digydrochloride

>  <Catalog Number> (3,346)
S5062

>  <Synonyms> (3,346)
N/A

>  <Target> (3,346)
HCV Protease

>  <Form> (3,346)
dihydrochloride 

>  <URL> (3,346)
http://selleckchem.com/products/daclatasvir-digydrochloride.html

>  <CAS Number> (3,346)
1009119-65-6

$$$$
S5066 Pramipexole dihydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,347)
3912

>  <Formula> (3,347)
C10H19Cl2N3S

>  <MolWeight> (3,347)
284.24896

>  <Item Name> (3,347)
Pramipexole dihydrochloride

>  <Catalog Number> (3,347)
S5066

>  <Synonyms> (3,347)
N/A

>  <Target> (3,347)
Dopamine Receptor

>  <Form> (3,347)
dihydrochloride 

>  <URL> (3,347)
http://selleckchem.com/products/pramipexole-dihydrochloride.html

>  <CAS Number> (3,347)
104632-25-9

$$$$
S5075 Acotiamide.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,348)
3914

>  <Formula> (3,348)
C21H30N4O5S

>  <MolWeight> (3,348)
450.5517

>  <Item Name> (3,348)
Acotiamide

>  <Catalog Number> (3,348)
S5075

>  <Synonyms> (3,348)
Acofide

>  <Target> (3,348)
AChR

>  <Form> (3,348)
free base

>  <URL> (3,348)
http://selleckchem.com/products/acotiamide.html

>  <CAS Number> (3,348)
185106-16-5

$$$$
S5079 Sitagliptin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,349)
3916

>  <Formula> (3,349)
C16H15F6N5O

>  <MolWeight> (3,349)
407.3136192

>  <Item Name> (3,349)
Sitagliptin

>  <Catalog Number> (3,349)
S5079

>  <Synonyms> (3,349)
MK-0431

>  <Target> (3,349)
DPP-4

>  <Form> (3,349)
free base

>  <URL> (3,349)
http://selleckchem.com/products/sitagliptin.html

>  <CAS Number> (3,349)
486460-32-6

$$$$
S5084 Carbazochrome.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,350)
3917

>  <Formula> (3,350)
C10H12N4O3

>  <MolWeight> (3,350)
236.22728

>  <Item Name> (3,350)
Carbazochrome

>  <Catalog Number> (3,350)
S5084

>  <Synonyms> (3,350)
Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (3,350)
Others

>  <Form> (3,350)
free base

>  <URL> (3,350)
http://selleckchem.com/products/carbazochrome.html

>  <CAS Number> (3,350)
69-81-8

$$$$
S5092 Febantel.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,351)
3918

>  <Formula> (3,351)
C20H22N4O6S

>  <MolWeight> (3,351)
446.47688

>  <Item Name> (3,351)
Febantel

>  <Catalog Number> (3,351)
S5092

>  <Synonyms> (3,351)
Rintal, Combotel, Oratel, Bay Vh 5757, Negabot Plus

>  <Target> (3,351)
Anti-infection

>  <Form> (3,351)
free base

>  <URL> (3,351)
http://selleckchem.com/products/febantel.html

>  <CAS Number> (3,351)
58306-30-2

$$$$
S5093 Rafoxanide.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,352)
3919

>  <Formula> (3,352)
C19H11Cl2I2NO3

>  <MolWeight> (3,352)
626.01048

>  <Item Name> (3,352)
Rafoxanide

>  <Catalog Number> (3,352)
S5093

>  <Synonyms> (3,352)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (3,352)
Anti-infection

>  <Form> (3,352)
free base

>  <URL> (3,352)
http://selleckchem.com/products/rafoxanide.html

>  <CAS Number> (3,352)
22662-39-1

$$$$
S5100 Pralidoxime Iodide.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,353)
3921

>  <Formula> (3,353)
C7H9IN2O

>  <MolWeight> (3,353)
264.06363

>  <Item Name> (3,353)
Pralidoxime Iodide

>  <Catalog Number> (3,353)
S5100

>  <Synonyms> (3,353)
2-PAM

>  <Target> (3,353)
AChR

>  <Form> (3,353)
iodide salt

>  <URL> (3,353)
http://selleckchem.com/products/pralidoxime-lodide.html

>  <CAS Number> (3,353)
94-63-3

$$$$
S5214 Imidocarb dipropionate.cdx
csChFnd80/07171813082D

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 32 35  2  0  0  0  0
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M  END
>  <Mol_ID> (3,354)
3922

>  <Formula> (3,354)
C25H32N6O5

>  <MolWeight> (3,354)
496.55878

>  <Item Name> (3,354)
Imidocarb dipropionate

>  <Catalog Number> (3,354)
S5214

>  <Synonyms> (3,354)
N/A

>  <Target> (3,354)
Anti-infection

>  <Form> (3,354)
dipropionate

>  <URL> (3,354)
http://selleckchem.com/products/Imidocarb-dipropionate.html

>  <CAS Number> (3,354)
55750-06-6

$$$$
S5220 D-Pantethine.cdx
csChFnd80/07171813082D

 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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 31 35  1  0  0  0  0
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M  END
>  <Mol_ID> (3,355)
3924

>  <Formula> (3,355)
C22H42N4O8S2

>  <MolWeight> (3,355)
554.72088

>  <Item Name> (3,355)
D-Pantethine

>  <Catalog Number> (3,355)
S5220

>  <Synonyms> (3,355)
Bis-pantethine, Pantetina, Pantomin, Pantosin

>  <Target> (3,355)
Vitamin

>  <Form> (3,355)
free base

>  <URL> (3,355)
http://selleckchem.com/products/d-pantethine.html

>  <CAS Number> (3,355)
16816-67-4

$$$$
S5236 ¦Â-Estradiol 17-Acetate.cdx
csChFnd80/07171813082D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3484    2.7998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3855    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 11 15  1  0  0  0  0
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M  END
>  <Mol_ID> (3,356)
3925

>  <Formula> (3,356)
C20H26O3

>  <MolWeight> (3,356)
314.41864

>  <Item Name> (3,356)
¦Â-Estradiol 17-Acetate

>  <Catalog Number> (3,356)
S5236

>  <Synonyms> (3,356)
N/A

>  <Target> (3,356)
Others

>  <Form> (3,356)
free base

>  <URL> (3,356)
http://selleckchem.com/products/beta-estradiol-17-acetate.html

>  <CAS Number> (3,356)
1743-60-8

$$$$
S5249 Coptisine chloride.cdx
csChFnd80/07171813082D

 25 29  0  0  0  0  0  0  0  0999 V2000
    5.7918    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7918    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,357)
3927

>  <Formula> (3,357)
C19H14ClNO4

>  <MolWeight> (3,357)
355.77176

>  <Item Name> (3,357)
Coptisine chloride

>  <Catalog Number> (3,357)
S5249

>  <Synonyms> (3,357)
Q-100696, NSC-119754

>  <Target> (3,357)
Others

>  <Form> (3,357)
chloride 

>  <URL> (3,357)
http://selleckchem.com/products/coptisine-chloride.html

>  <CAS Number> (3,357)
6020-18-4

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/07171813082D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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M  END
>  <Mol_ID> (3,358)
3928

>  <Formula> (3,358)
C14H11NOS

>  <MolWeight> (3,358)
241.30824

>  <Item Name> (3,358)
2-Acetylphenothiazine (ML171)

>  <Catalog Number> (3,358)
S5304

>  <Synonyms> (3,358)
2-APT

>  <Target> (3,358)
NADPH-oxidase

>  <Form> (3,358)
free base

>  <URL> (3,358)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

>  <CAS Number> (3,358)
6631-94-3

$$$$
S5305 2-Bromo-N-carbamoyl-3-methylbutanamide.cdx
csChFnd80/07171813082D

 11 10  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    1.4000    0.0000 C   0  0  3  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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  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,359)
3929

>  <Formula> (3,359)
C6H11BrN2O2

>  <MolWeight> (3,359)
223.06774

>  <Item Name> (3,359)
Bromisoval

>  <Catalog Number> (3,359)
S5305

>  <Synonyms> (3,359)
bromovalerylurea, Isobromyl, Bromaral, BRN 1773255, 2-Bromo-N-carbamoyl-3-methylbutanamide

>  <Target> (3,359)
Others

>  <Form> (3,359)
free base

>  <URL> (3,359)
http://selleckchem.com/products/bromisoval.html

>  <CAS Number> (3,359)
496-67-3

$$$$
S5309 Propyphenazone.cdx
csChFnd80/07171813082D

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    4.2068    2.4611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    2.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0072    3.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0145    1.3301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076    3.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0953    1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3473    3.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5689    4.9107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3540    1.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5776    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7076    3.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6954    1.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4779    3.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875    0.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583    3.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3280    5.3752    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
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 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,360)
3930

>  <Formula> (3,360)
C14H18N2O

>  <MolWeight> (3,360)
230.30552

>  <Item Name> (3,360)
Propyphenazone (4-Isopropylantipyrine)

>  <Catalog Number> (3,360)
S5309

>  <Synonyms> (3,360)
Isopropylantipyrine, Isopropyrine

>  <Target> (3,360)
Others

>  <Form> (3,360)
free base

>  <URL> (3,360)
http://selleckchem.com/products/propyphenazone.html

>  <CAS Number> (3,360)
479-92-5

$$$$
BGB-3111.cdx
csChFnd80/07171813082D

 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
    8.7440    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9565    1.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1689    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1689    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9565    4.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5316    4.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   16.0187    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8062    4.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5938    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3853    6.1836    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
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18  7  2  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 17  1  1  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (3,361)
3931

>  <Formula> (3,361)
C24H25N5O3

>  <MolWeight> (3,361)
431.487

>  <Item Name> (3,361)
Btk inhibitor 2

>  <Catalog Number> (3,361)
S8542

>  <Synonyms> (3,361)
N/A

>  <Target> (3,361)
BTK

>  <Form> (3,361)
free base

>  <URL> (3,361)
http://selleckchem.com/products/btk-inhibitor-2.html

>  <CAS Number> (3,361)
1558036-85-3

$$$$
kira6.cdx
csChFnd80/07171813082D

 38 42  0  0  0  0  0  0  0  0999 V2000
    8.4870    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   10.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.2660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7726    4.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3400    5.3656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2281    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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M  END
>  <Mol_ID> (3,362)
3932

>  <Formula> (3,362)
C28H25F3N6O

>  <MolWeight> (3,362)
518.5329096

>  <Item Name> (3,362)
kira6

>  <Catalog Number> (3,362)
S8658

>  <Synonyms> (3,362)
N/A

>  <Target> (3,362)
Others

>  <URL> (3,362)
http://selleckchem.com/products/kira6.html

>  <CAS Number> (3,362)
1589527-65-0

$$$$
S4827 Manganese chloride.cdx
csChFnd80/07171813082D

  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
    2.4249    0.0000    0.0000 Cl  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
M  END
>  <Mol_ID> (3,363)
3934

>  <Formula> (3,363)
Cl2Mn

>  <MolWeight> (3,363)
125.844049

>  <Item Name> (3,363)
Manganese chloride

>  <Catalog Number> (3,363)
S4827

>  <Synonyms> (3,363)
N/A

>  <Target> (3,363)
Others

>  <Form> (3,363)
free base

>  <URL> (3,363)
http://selleckchem.com/products/manganese-chloride.html

>  <CAS Number> (3,363)
7773-01-5

$$$$
S4836 Nilutamide.cdx
csChFnd80/07171813082D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6535    2.5478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0535    2.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640    1.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7777    3.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7558    3.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7579    1.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3916    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1544    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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  4 10  2  0  0  0  0
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 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,364)
3935

>  <Formula> (3,364)
C12H10F3N3O4

>  <MolWeight> (3,364)
317.2207096

>  <Item Name> (3,364)
Nilutamide

>  <Catalog Number> (3,364)
S4836

>  <Synonyms> (3,364)
RU23908

>  <Target> (3,364)
Androgen Receptor

>  <URL> (3,364)
http://selleckchem.com/products/nilutamide.html

>  <CAS Number> (3,364)
63612-50-0

$$$$
S4837 Ibudilast.cdx
csChFnd80/07171813082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7716    2.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4504    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5906    1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1928    3.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,365)
3936

>  <Formula> (3,365)
C14H18N2O

>  <MolWeight> (3,365)
230.30552

>  <Item Name> (3,365)
Ibudilast

>  <Catalog Number> (3,365)
S4837

>  <Synonyms> (3,365)
KC-404, AV411, MN166

>  <Target> (3,365)
PDE

>  <Form> (3,365)
free base

>  <URL> (3,365)
http://selleckchem.com/products/Ibudilast.html

>  <CAS Number> (3,365)
50847-11-5

$$$$
S4848 Dalbavancin.cdx
csChFnd80/07171813082D

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C88H100Cl2N10O28

>  <MolWeight> (3,366)
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>  <Item Name> (3,366)
Dalbavancin

>  <Catalog Number> (3,366)
S4848

>  <Synonyms> (3,366)
zeven

>  <Target> (3,366)
Anti-infection

>  <Form> (3,366)
free base

>  <URL> (3,366)
http://selleckchem.com/products/dalbavancin.html

>  <CAS Number> (3,366)
171500-79-1

$$$$
S4851 Tafluprost.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,367)
3938

>  <Formula> (3,367)
C25H34F2O5

>  <MolWeight> (3,367)
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>  <Item Name> (3,367)
Tafluprost

>  <Catalog Number> (3,367)
S4851

>  <Synonyms> (3,367)
AFP-168

>  <Target> (3,367)
Others

>  <URL> (3,367)
http://selleckchem.com/products/tafluprost.html

>  <CAS Number> (3,367)
209860-87-7

$$$$
S4852 Gadopentetate Dimeglumine.cdx
csChFnd80/07171813082D

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3939

>  <Formula> (3,368)
C28H54GdN5O20

>  <MolWeight> (3,368)
937.99986

>  <Item Name> (3,368)
Gadopentetate Dimeglumine

>  <Catalog Number> (3,368)
S4852

>  <Synonyms> (3,368)
Gadopentetic acid dimeglumine, Gd-DTPA, Meglumine gadopentetate

>  <Target> (3,368)
Others

>  <Form> (3,368)
dimeglumine salt

>  <URL> (3,368)
http://selleckchem.com/products/gadopentetate-dimeglumine.html

>  <CAS Number> (3,368)
86050-77-3

$$$$
S4856 Iproniazid.cdx
csChFnd80/07171813082D

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3940

>  <Formula> (3,369)
C9H13N3O

>  <MolWeight> (3,369)
179.21902

>  <Item Name> (3,369)
Iproniazid

>  <Catalog Number> (3,369)
S4856

>  <Synonyms> (3,369)
Marsilid, Iprazid

>  <Target> (3,369)
MAO

>  <Form> (3,369)
free base

>  <URL> (3,369)
http://selleckchem.com/products/Iproniazid.html

>  <CAS Number> (3,369)
54-92-2

$$$$
S4931 Propiverine hydrochloride.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,370)
3941

>  <Formula> (3,370)
C23H30ClNO3

>  <MolWeight> (3,370)
403.9422

>  <Item Name> (3,370)
Propiverine hydrochloride

>  <Catalog Number> (3,370)
S4931

>  <Synonyms> (3,370)
N/A

>  <Target> (3,370)
Others

>  <URL> (3,370)
http://selleckchem.com/products/propiverine-hydrochloride.html

>  <CAS Number> (3,370)
54556-98-8

$$$$
S4932 Proxyphylline.cdx
csChFnd80/07171813082D

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  1  3  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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  6  7  2  0  0  0  0
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M  END
>  <Mol_ID> (3,371)
3942

>  <Formula> (3,371)
C10H14N4O3

>  <MolWeight> (3,371)
238.24316

>  <Item Name> (3,371)
Proxyphylline

>  <Catalog Number> (3,371)
S4932

>  <Synonyms> (3,371)
Monophylline, Spasmolysin

>  <Target> (3,371)
Adenosine Receptor

>  <Form> (3,371)
free base

>  <URL> (3,371)
http://selleckchem.com/products/proxyphylline.html

>  <CAS Number> (3,371)
603-00-9

$$$$
S5006 Teprenone.cdx
csChFnd80/07171813082D

 24 23  0  0  0  0  0  0  0  0999 V2000
   10.9119    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
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    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
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M  END
>  <Mol_ID> (3,372)
3943

>  <Formula> (3,372)
C23H38O

>  <MolWeight> (3,372)
330.54722

>  <Item Name> (3,372)
Teprenone

>  <Catalog Number> (3,372)
S5006

>  <Synonyms> (3,372)
geranylgeranylacetone, Tetraprenylacetone

>  <Target> (3,372)
Others

>  <URL> (3,372)
http://selleckchem.com/products/teprenone.html

>  <CAS Number> (3,372)
6809-52-5

$$$$
S5012 Octenidine Dihydrochloride.cdx
csChFnd80/07171813082D

 42 41  0  0  0  0  0  0  0  0999 V2000
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   15.0452    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2577    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9830    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4701    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6825    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> (3,373)
3944

>  <Formula> (3,373)
C36H64Cl2N4

>  <MolWeight> (3,373)
623.82616

>  <Item Name> (3,373)
Octenidine Dihydrochloride

>  <Catalog Number> (3,373)
S5012

>  <Synonyms> (3,373)
N/A

>  <Target> (3,373)
Anti-infection

>  <URL> (3,373)
http://selleckchem.com/products/octenidine-ihydrochloride.html

>  <CAS Number> (3,373)
70775-75-6

$$$$
S5013 Ioversol.cdx
csChFnd80/07171813082D

 33 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,374)
3945

>  <Formula> (3,374)
C18H24I3N3O9

>  <MolWeight> (3,374)
807.11127

>  <Item Name> (3,374)
Ioversol

>  <Catalog Number> (3,374)
S5013

>  <Synonyms> (3,374)
N/A

>  <Target> (3,374)
Others

>  <URL> (3,374)
http://selleckchem.com/products/lversol.html

>  <CAS Number> (3,374)
87771-40-2

$$$$
S5014 Crisaborole (AN2728).cdx
csChFnd80/07171813082D

 19 21  0  0  0  0  0  0  0  0999 V2000
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   11.4637    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  2  0  0  0  0
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 18 19  3  0  0  0  0
 15 18  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,375)
3946

>  <Formula> (3,375)
C14H10BNO3

>  <MolWeight> (3,375)
251.0451

>  <Item Name> (3,375)
Crisaborole (AN2728)

>  <Catalog Number> (3,375)
S5014

>  <Synonyms> (3,375)
N/A

>  <Target> (3,375)
PDE

>  <Form> (3,375)
free base

>  <URL> (3,375)
http://selleckchem.com/products/crisaborole-an2728.html

>  <CAS Number> (3,375)
906673-24-3

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/07171813082D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.9401    3.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3255    2.3595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3318    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3263    3.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1360    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8846    4.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0863    5.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0572    9.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4008   10.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.5801    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.8263    1.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875    2.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4066    2.3775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0520    4.3888    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  1  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  8  9  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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 15 16  1  0  0  0  0
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  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,376)
3948

>  <Formula> (3,376)
C18H13BrN2O4S2

>  <MolWeight> (3,376)
465.34082

>  <Item Name> (3,376)
Skp2 inhibitor C1 (SKPin C1)

>  <Catalog Number> (3,376)
S8652

>  <Synonyms> (3,376)
N/A

>  <Target> (3,376)
CDK

>  <URL> (3,376)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

>  <CAS Number> (3,376)
432001-69-9

$$$$
DIPRIVAN (propofol).cdx
csChFnd80/07171813082D

 13 13  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 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
    1.2124    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2098    0.0000 O   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
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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> (3,377)
3950

>  <Formula> (3,377)
C12H18O

>  <MolWeight> (3,377)
178.27072

>  <Item Name> (3,377)
Propofol

>  <Catalog Number> (3,377)
S2023

>  <Synonyms> (3,377)
N/A

>  <Target> (3,377)
GABA Receptor

>  <URL> (3,377)
http://selleckchem.com/products/propofol-diprivan.html

>  <CAS Number> (3,377)
2078-54-8

$$$$
S4849 Levocetirizine Dihydrochloride.cdx
csChFnd80/07171813082D

 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
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   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
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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
  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
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 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> (3,378)
3951

>  <Formula> (3,378)
C21H27Cl3N2O3

>  <MolWeight> (3,378)
461.80968

>  <Item Name> (3,378)
Levocetirizine Dihydrochloride

>  <Catalog Number> (3,378)
S4849

>  <Synonyms> (3,378)
Xyzal Dihydrochloride, (-)-Cetirizine Dihydrochloride

>  <Target> (3,378)
Histamine Receptor

>  <Form> (3,378)
dihydrochloride 

>  <URL> (3,378)
http://selleckchem.com/products/levocetirizine-dihydrochloride.html

>  <CAS Number> (3,378)
130018-87-0

$$$$
S4858 Tryptophol.cdx
csChFnd80/07171813082D

 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> (3,379)
3952

>  <Formula> (3,379)
C10H11NO

>  <MolWeight> (3,379)
161.20044

>  <Item Name> (3,379)
Tryptophol

>  <Catalog Number> (3,379)
S4858

>  <Synonyms> (3,379)
Indole-3-ethanol

>  <Target> (3,379)
Others

>  <URL> (3,379)
http://selleckchem.com/products/tryptophol.html

>  <CAS Number> (3,379)
526-55-6

$$$$
S4859 TriacetonaMine.cdx
csChFnd80/07171813082D

 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> (3,380)
3953

>  <Formula> (3,380)
C9H17NO

>  <MolWeight> (3,380)
155.23738

>  <Item Name> (3,380)
TriacetonaMine

>  <Catalog Number> (3,380)
S4859

>  <Synonyms> (3,380)
2,2,6,6-Tetramethyl-4-piperidinone; tempidon; tmpone; Odoratine; Vincubine

>  <Target> (3,380)
Others

>  <Form> (3,380)
free base

>  <URL> (3,380)
http://selleckchem.com/products/triacetonamine.html

>  <CAS Number> (3,380)
826-36-8

$$$$
S4862 Squalene.cdx
csChFnd80/07171813082D

 30 29  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    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    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  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
   16.9741    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
   20.6114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.1000    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
   24.2487    2.1000    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
   26.6736    2.1000    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
  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
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  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
 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
 18 20  1  0  0  0  0
 19 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
 23 25  1  0  0  0  0
 24 26  1  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
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,381)
3954

>  <Formula> (3,381)
C30H50

>  <MolWeight> (3,381)
410.718

>  <Item Name> (3,381)
Squalene

>  <Catalog Number> (3,381)
S4862

>  <Synonyms> (3,381)
Spinacene, Supraene, trans-Squalene

>  <Target> (3,381)
Others

>  <Form> (3,381)
free base

>  <URL> (3,381)
http://selleckchem.com/products/squalene.html

>  <CAS Number> (3,381)
 111-02-4

$$$$
S4863 4-Hydroxyphenylacetic acid.cdx
csChFnd80/07171813082D

 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> (3,382)
3955

>  <Formula> (3,382)
C8H8O3

>  <MolWeight> (3,382)
152.14732

>  <Item Name> (3,382)
4-Hydroxyphenylacetic acid

>  <Catalog Number> (3,382)
S4863

>  <Synonyms> (3,382)
p-Hydroxyphenylacetic acid, parahydroxy phenylacetate

>  <Target> (3,382)
Others

>  <Form> (3,382)
free base

>  <URL> (3,382)
http://selleckchem.com/products/4-hydroxyphenylacetic-acid.html

>  <CAS Number> (3,382)
156-38-7

$$$$
S4864 2-Furoic acid.cdx
csChFnd80/07171813082D

  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> (3,383)
3956

>  <Formula> (3,383)
C5H4O3

>  <MolWeight> (3,383)
112.08346

>  <Item Name> (3,383)
2-Furoic acid

>  <Catalog Number> (3,383)
S4864

>  <Synonyms> (3,383)
2-Furancarboxylic acid, Pyromucic acid, 2-Carboxyfuran, ¦Á-furancarboxylic acid, ¦Á-furoic acid

>  <Target> (3,383)
Others

>  <Form> (3,383)
free base

>  <URL> (3,383)
http://selleckchem.com/products/2-furoic-acid.html

>  <CAS Number> (3,383)
88-14-2

$$$$
S4868 Xanthinol Nicotinate.cdx
csChFnd80/07171813082D

 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
    7.1233    6.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7064    4.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4742    7.2918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8317    8.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4678    6.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (3,384)
3957

>  <Formula> (3,384)
C19H26N6O6

>  <MolWeight> (3,384)
434.44634

>  <Item Name> (3,384)
Xanthinol Nicotinate

>  <Catalog Number> (3,384)
S4868

>  <Synonyms> (3,384)
Complamin, Angioamin

>  <Target> (3,384)
Others

>  <URL> (3,384)
http://selleckchem.com/products/xanthinol-nicotinate.html

>  <CAS Number> (3,384)
437-74-1

$$$$
S4876 Robenidine Hydrochoride.cdx
csChFnd80/07171813082D

 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> (3,385)
3959

>  <Formula> (3,385)
C15H14Cl3N5

>  <MolWeight> (3,385)
370.66416

>  <Item Name> (3,385)
Robenidine Hydrochoride

>  <Catalog Number> (3,385)
S4876

>  <Synonyms> (3,385)
Dexium, Nugatex, Rasexinium, Toraxine

>  <Target> (3,385)
Anti-infection

>  <Form> (3,385)
hydrochloride 

>  <URL> (3,385)
http://selleckchem.com/products/robenidine-hydrochoride.html

>  <CAS Number> (3,385)
25875-50-7

$$$$
S4881 Calcium Dobesilate.cdx
csChFnd80/07171813082D

 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> (3,386)
3960

>  <Formula> (3,386)
C6H5O5RS-

>  <MolWeight> (3,386)
189.1659

>  <Item Name> (3,386)
Calcium Dobesilate

>  <Catalog Number> (3,386)
S4881

>  <Synonyms> (3,386)
calcium dihydroxy-2,5-benzenesulfonate

>  <Target> (3,386)
Others

>  <URL> (3,386)
http://selleckchem.com/products/calcium-dobesilate.html

>  <CAS Number> (3,386)
20123-80-2

$$$$
S4892 Phenibut.cdx
csChFnd80/07171813082D

 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> (3,387)
3961

>  <Formula> (3,387)
C10H13NO2

>  <MolWeight> (3,387)
179.21572

>  <Item Name> (3,387)
Phenibut

>  <Catalog Number> (3,387)
S4892

>  <Synonyms> (3,387)
Aminophenylbutyric acid, Fenibut, Fenigam, Phenigam, Phenybut, PhGABA, ¦Â-Phenyl-¦Ã-aminobutyric acid

>  <Target> (3,387)
GABA Receptor

>  <Form> (3,387)
free base

>  <URL> (3,387)
http://selleckchem.com/products/phenibut.html

>  <CAS Number> (3,387)
1078-21-3

$$$$
S4940 Maltol.cdx
csChFnd80/07171813082D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4239    2.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476    2.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4341    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2476    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    0.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6465    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,388)
3962

>  <Formula> (3,388)
C6H6O3

>  <MolWeight> (3,388)
126.11004

>  <Item Name> (3,388)
Maltol

>  <Catalog Number> (3,388)
S4940

>  <Synonyms> (3,388)
Larixinic acid, Palatone, Veltol

>  <Target> (3,388)
Others

>  <URL> (3,388)
http://selleckchem.com/products/maltol.html

>  <CAS Number> (3,388)
118-71-8

$$$$
S4941 Farnesol.cdx
csChFnd80/07171813082D

 16 15  0  0  0  0  0  0  0  0999 V2000
   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  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    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
    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  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    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
    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
   14.5492    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
  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  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  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,389)
3963

>  <Formula> (3,389)
C15H26O

>  <MolWeight> (3,389)
222.36634

>  <Item Name> (3,389)
Farnesol

>  <Catalog Number> (3,389)
S4941

>  <Synonyms> (3,389)
N/A

>  <Target> (3,389)
Others

>  <Form> (3,389)
free base

>  <URL> (3,389)
http://selleckchem.com/products/farnesol.html

>  <CAS Number> (3,389)
4602-84-0

$$$$
S4943 Isovanillin.cdx
csChFnd80/07171813082D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8325    3.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    2.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6117    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0364    4.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    3.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0195    5.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6624    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    1.3706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2529    3.5460    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
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,390)
3964

>  <Formula> (3,390)
C8H8O3

>  <MolWeight> (3,390)
152.14732

>  <Item Name> (3,390)
Isovanillin

>  <Catalog Number> (3,390)
s4943

>  <Synonyms> (3,390)
5-Formylguaiacol, 3-Hydroxy-p-anisaldehyde, 3-Hydroxy-4-methoxybenzaldehyde

>  <Target> (3,390)
Others

>  <Form> (3,390)
free base

>  <URL> (3,390)
http://selleckchem.com/products/lsovanillin.html

>  <CAS Number> (3,390)
621-59-0

$$$$
S4949 Nonanoic acid.cdx
csChFnd80/07171813082D

 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> (3,391)
3965

>  <Formula> (3,391)
C9H18O2

>  <MolWeight> (3,391)
158.23802

>  <Item Name> (3,391)
Nonanoic acid

>  <Catalog Number> (3,391)
s4949

>  <Synonyms> (3,391)
pelargonic acid, Nonoic acid

>  <Target> (3,391)
Others

>  <Form> (3,391)
free base

>  <URL> (3,391)
http://selleckchem.com/products/nonanoic-acid.html

>  <CAS Number> (3,391)
112-05-0

$$$$
S4952 Fumaric acid.cdx
csChFnd80/07171813082D

  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> (3,392)
3968

>  <Formula> (3,392)
C4H4O4

>  <MolWeight> (3,392)
116.07216

>  <Item Name> (3,392)
Fumaric acid

>  <Catalog Number> (3,392)
S4952

>  <Synonyms> (3,392)
2-Butenedioic acid, Trans-Butenedioic acid, Allomaleic acid, Boletic acid, Donitic acid, Lichenic aci

>  <Target> (3,392)
Others

>  <Form> (3,392)
free base

>  <URL> (3,392)
http://selleckchem.com/products/fumaric-acid.html

>  <CAS Number> (3,392)
110-17-8

$$$$
S4953 Usnic acid.cdx
csChFnd80/07171813082D

 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> (3,393)
3969

>  <Formula> (3,393)
C18H16O7

>  <MolWeight> (3,393)
344.31544

>  <Item Name> (3,393)
Usnic acid

>  <Catalog Number> (3,393)
S4953

>  <Synonyms> (3,393)
Usniacin

>  <Target> (3,393)
Others

>  <Form> (3,393)
free base

>  <URL> (3,393)
http://selleckchem.com/products/usnic-acid.html

>  <CAS Number> (3,393)
125-46-2

$$$$
S4957 Linalool.cdx
csChFnd80/07171813082D

 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> (3,394)
3970

>  <Formula> (3,394)
C10H18O

>  <MolWeight> (3,394)
154.24932

>  <Item Name> (3,394)
Linalool

>  <Catalog Number> (3,394)
S4957

>  <Synonyms> (3,394)
Phantol

>  <Target> (3,394)
NMDAR

>  <Form> (3,394)
free base

>  <URL> (3,394)
http://selleckchem.com/products/linalool.html

>  <CAS Number> (3,394)
78-70-6

$$$$
S4960 Jasmone.cdx
csChFnd80/07171813082D

 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> (3,395)
3971

>  <Formula> (3,395)
C11H16O

>  <MolWeight> (3,395)
164.24414

>  <Item Name> (3,395)
Jasmone

>  <Catalog Number> (3,395)
S4960

>  <Synonyms> (3,395)
N/A

>  <Target> (3,395)
Others

>  <URL> (3,395)
http://selleckchem.com/products/jasmone.html

>  <CAS Number> (3,395)
488-10-8

$$$$
S4969 Tropine.cdx
csChFnd80/07171813082D

 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> (3,396)
3972

>  <Formula> (3,396)
C8H15NO

>  <MolWeight> (3,396)
141.2108

>  <Item Name> (3,396)
Tropine

>  <Catalog Number> (3,396)
S4969

>  <Synonyms> (3,396)
Pseudotropine, 3alpha-Tropanol

>  <Target> (3,396)
Others

>  <Form> (3,396)
free base

>  <URL> (3,396)
http://selleckchem.com/products/tropine.html

>  <CAS Number> (3,396)
120-29-6

$$$$
S4970 Nerol.cdx
csChFnd80/07171813082D

 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> (3,397)
3973

>  <Formula> (3,397)
C10H18O

>  <MolWeight> (3,397)
154.24932

>  <Item Name> (3,397)
Nerol

>  <Catalog Number> (3,397)
S4970

>  <Synonyms> (3,397)
Cis-Geraniol, Neryl alcohol

>  <Target> (3,397)
Others

>  <Form> (3,397)
free base

>  <URL> (3,397)
http://selleckchem.com/products/nerol.html

>  <CAS Number> (3,397)
106-25-2

$$$$
S5123 Dihydrocholesterol.cdx
csChFnd80/07171813082D

 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
    4.8363    2.0765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.0765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9766    5.3252    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 32  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 29  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 30  1  1  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 31  1  6  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  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
 10 16  1  1  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  6  0  0  0
 14 19  1  0  0  0  0
 14 28  1  6  0  0  0
 15 20  1  0  0  0  0
 17 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
 22 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  7 33  1  6  0  0  0
M  END
>  <Mol_ID> (3,398)
3974

>  <Formula> (3,398)
C27H48O

>  <MolWeight> (3,398)
388.66942

>  <Item Name> (3,398)
Dihydrocholesterol

>  <Catalog Number> (3,398)
S5123

>  <Synonyms> (3,398)
Beta-Cholestanol, Zymostanol, 5alpha-Cholestanol

>  <Target> (3,398)
Others

>  <Form> (3,398)
free base

>  <URL> (3,398)
http://selleckchem.com/products/dihydrocholesterol.html

>  <CAS Number> (3,398)
80-97-7

$$$$
BMS-935177.cdx
csChFnd80/07171813082D

 38 43  0  0  0  0  0  0  0  0999 V2000
    6.3314    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3314    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5438    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7562    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7562    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5438    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9999    8.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9999    6.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    7.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    5.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4305    5.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    4.8494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    7.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5438   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7562   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5438    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3314    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3314    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7562    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7562    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9687    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9687    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9687    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1811    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3935    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3935    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1811    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6060    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8184    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8184    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6060    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1811    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3314   11.2000    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
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
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 13  9  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 14 17  1  0  0  0  0
  6 18  1  0  0  0  0
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  3 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 25 20  1  0  0  0  0
 25 26  1  0  0  0  0
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 30 31  2  0  0  0  0
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 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
 32 37  2  0  0  0  0
 18 38  2  0  0  0  0
M  END
>  <Mol_ID> (3,399)
3975

>  <Formula> (3,399)
C31H26N4O3

>  <MolWeight> (3,399)
502.56314

>  <Item Name> (3,399)
BMS-935177

>  <Catalog Number> (3,399)
S8348

>  <Synonyms> (3,399)
N/A

>  <Target> (3,399)
BTK,Trk receptor,c-RET

>  <Form> (3,399)
free base

>  <URL> (3,399)
http://selleckchem.com/products/bms-935177.html

>  <CAS Number> (3,399)
1231889-53-4

$$$$
KPT-9274.cdx
csChFnd80/07171813082D

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    1.2124    4.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.3539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1909    2.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.8277    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5277    6.2497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5277    3.8249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,400)
3976

>  <Formula> (3,400)
C35H29F3N4O3

>  <MolWeight> (3,400)
610.6249696

>  <Item Name> (3,400)
KPT-9274

>  <Catalog Number> (3,400)
S8444

>  <Synonyms> (3,400)
N/A

>  <Target> (3,400)
NAMPT,PAK

>  <Form> (3,400)
free base

>  <URL> (3,400)
http://selleckchem.com/products/kpt-9274.html

>  <CAS Number> (3,400)
1643913-93-2

$$$$
S2501 Pyrantel pamoate.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,401)
3977

>  <Formula> (3,401)
C34H30N2O6S

>  <MolWeight> (3,401)
594.6768

>  <Item Name> (3,401)
Pyrantel Pamoate 

>  <Catalog Number> (3,401)
S2501

>  <Synonyms> (3,401)
Pyrantel Embonate

>  <Target> (3,401)
Anti-infection

>  <Form> (3,401)
salt

>  <URL> (3,401)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

>  <CAS Number> (3,401)
22204-24-6

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,402)
3978

>  <Formula> (3,402)
C32H40O8

>  <MolWeight> (3,402)
552.6552

>  <Item Name> (3,402)
Euphorbiasteroid

>  <Catalog Number> (3,402)
S3832

>  <Synonyms> (3,402)
Euphorbia factor L1

>  <Target> (3,402)
Others

>  <Form> (3,402)
free base

>  <URL> (3,402)
http://selleckchem.com/products/euphorbiasteroid.html

>  <CAS Number> (3,402)
28649-59-4

$$$$
S4815 L-Cysteine HCL.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,403)
3979

>  <Formula> (3,403)
C3H8ClNO2S

>  <MolWeight> (3,403)
157.61912

>  <Item Name> (3,403)
L-Cysteine HCl

>  <Catalog Number> (3,403)
S4815

>  <Synonyms> (3,403)
N/A

>  <Target> (3,403)
Others

>  <Form> (3,403)
hydrochloride 

>  <URL> (3,403)
http://selleckchem.com/products/l-cysteine-hcl.html

>  <CAS Number> (3,403)
52-89-1

$$$$
S4816 Diatrizoate sodium.cdx
csChFnd80/07171813082D

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    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> (3,404)
3980

>  <Formula> (3,404)
C11H8I3N2NaO4

>  <MolWeight> (3,404)
635.8954

>  <Item Name> (3,404)
Diatrizoate sodium

>  <Catalog Number> (3,404)
S4816

>  <Synonyms> (3,404)
amidotrizoate sodium, Hypaque sodium, Triombrin

>  <Target> (3,404)
Others

>  <URL> (3,404)
http://selleckchem.com/products/diatrizoate-sodium.html

>  <CAS Number> (3,404)
737-31-5

$$$$
S4819 Saccharin.cdx
csChFnd80/07171813082D

 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> (3,405)
3982

>  <Formula> (3,405)
C7H5NO3S

>  <MolWeight> (3,405)
183.1845

>  <Item Name> (3,405)
Saccharin

>  <Catalog Number> (3,405)
S4819

>  <Synonyms> (3,405)
Benzoic sulfimide, O-Sulfobenzimide, O-Benzoic sulfimide, Saccharimide

>  <Target> (3,405)
Others

>  <Form> (3,405)
free base

>  <URL> (3,405)
http://selleckchem.com/products/saccharin.html

>  <CAS Number> (3,405)
81-07-2

$$$$
>  <Mol_ID> (3,406)
3983

>  <Item Name> (3,406)
Diastase

>  <Catalog Number> (3,406)
S4820

>  <Synonyms> (3,406)
N/A

>  <Target> (3,406)
Others

>  <URL> (3,406)
http://selleckchem.com/products/diastase.html

>  <CAS Number> (3,406)
9000-92-4

$$$$
S4828 Sodium carbonate.cdx
csChFnd80/07171813082D

  6  5  0  0  0  0  0  0  0  0999 V2000
    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 Na  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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 Na  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
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  1  2  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <Mol_ID> (3,407)
3987

>  <Formula> (3,407)
CNa2O3

>  <MolWeight> (3,407)
105.98844

>  <Item Name> (3,407)
Sodium carbonate

>  <Catalog Number> (3,407)
S4828

>  <Synonyms> (3,407)
Disodium carbonate, Soda Ash, Carbonic acid disodium salt

>  <Target> (3,407)
Others

>  <URL> (3,407)
http://selleckchem.com/products/sodium-carbonate.html

>  <CAS Number> (3,407)
497-19-8

$$$$
S4830 Maltose.cdx
csChFnd80/07171813082D

 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> (3,408)
3989

>  <Formula> (3,408)
C12H22O11

>  <MolWeight> (3,408)
342.29648

>  <Item Name> (3,408)
Maltose

>  <Catalog Number> (3,408)
S4830

>  <Synonyms> (3,408)
maltobiose, malt sugar, Beta-maltose, D-Maltose

>  <Target> (3,408)
Others

>  <Form> (3,408)
free base

>  <URL> (3,408)
http://selleckchem.com/products/maltose.html

>  <CAS Number> (3,408)
 69-79-4

$$$$
S4831 Piperonyl butoxide.cdx
csChFnd80/07171813082D

 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
  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  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  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
 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
M  END
>  <Mol_ID> (3,409)
3990

>  <Formula> (3,409)
C19H30O5

>  <MolWeight> (3,409)
338.4385

>  <Item Name> (3,409)
Piperonyl butoxide

>  <Catalog Number> (3,409)
S4831

>  <Synonyms> (3,409)
Butacide, Ethanol butoxide, Pyrenone 606

>  <Target> (3,409)
Others

>  <URL> (3,409)
http://selleckchem.com/products/piperonyl-butoxide.html

>  <CAS Number> (3,409)
51-03-6

$$$$
S4832 Tolmetin.cdx
csChFnd80/07171813082D

 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
    4.0943    3.5143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.8933    4.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7518    5.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0969    3.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1048    6.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (3,410)
3991

>  <Formula> (3,410)
C15H15NO3

>  <MolWeight> (3,410)
257.2845

>  <Item Name> (3,410)
Tolmetin

>  <Catalog Number> (3,410)
S4832

>  <Synonyms> (3,410)
Tolectin

>  <Target> (3,410)
Immunology & Inflammation related

>  <Form> (3,410)
free base

>  <URL> (3,410)
http://selleckchem.com/products/tolmetin.html

>  <CAS Number> (3,410)
26171-23-3

$$$$
S4835 Aceclofenac.cdx
csChFnd80/07171813082D

 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
    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 Cl  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
    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
   12.1244    4.9000    0.0000 O   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
  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> (3,411)
3992

>  <Formula> (3,411)
C16H13Cl2NO4

>  <MolWeight> (3,411)
354.18472

>  <Item Name> (3,411)
Aceclofenac

>  <Catalog Number> (3,411)
S4835

>  <Synonyms> (3,411)
Preservex, Airtal

>  <Target> (3,411)
Immunology & Inflammation related

>  <Form> (3,411)
free base

>  <URL> (3,411)
http://selleckchem.com/products/aceclofenac.html

>  <CAS Number> (3,411)
89796-99-6

$$$$
S4839 Mosapride.cdx
csChFnd80/07171813082D

 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
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   10.9127    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
   10.9129    7.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.3378    7.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5502    8.4008    0.0000 F   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 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 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 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 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> (3,412)
3993

>  <Formula> (3,412)
C21H25ClFN3O3

>  <MolWeight> (3,412)
421.8929032

>  <Item Name> (3,412)
Mosapride

>  <Catalog Number> (3,412)
S4839

>  <Synonyms> (3,412)
N/A

>  <Target> (3,412)
5-HT Receptor

>  <URL> (3,412)
http://selleckchem.com/products/mosapride.html

>  <CAS Number> (3,412)
112885-41-3

$$$$
S4841 Laurocapram.cdx
csChFnd80/07171813082D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.0060    2.1730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8493    1.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0925    3.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2184    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5115    1.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025    4.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6433    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8558    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0682    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2806    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4931    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (3,413)
3995

>  <Formula> (3,413)
C18H35NO

>  <MolWeight> (3,413)
281.4766

>  <Item Name> (3,413)
Laurocapram

>  <Catalog Number> (3,413)
S4841

>  <Synonyms> (3,413)
N-Dodecylcaprolactam, Azone, N-0252, N-Lauryl caprolactam, Tranzone

>  <Target> (3,413)
Others

>  <Form> (3,413)
free base

>  <URL> (3,413)
http://selleckchem.com/products/laurocapram.html

>  <CAS Number> (3,413)
59227-89-3

$$$$
S4860 Indole-3-carboxylic acid.cdx
csChFnd80/07171813082D

 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
  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
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,414)
3996

>  <Formula> (3,414)
C9H7NO2

>  <MolWeight> (3,414)
161.15738

>  <Item Name> (3,414)
Indole-3-carboxylic acid

>  <Catalog Number> (3,414)
S4860

>  <Synonyms> (3,414)
3-Indoleformic acid, 3-Carboxyindole, ¦Â-Indolylcarboxylic acid, 3-indolecarboxylate, 3-indoleformate

>  <Target> (3,414)
Others

>  <URL> (3,414)
http://selleckchem.com/products/indole-carboxylic-acid.html

>  <CAS Number> (3,414)
771-50-6

$$$$
S4861 Oxindole.cdx
csChFnd80/07171813082D

 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
    6.0015    1.3910    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> (3,415)
3997

>  <Formula> (3,415)
C8H7NO

>  <MolWeight> (3,415)
133.14728

>  <Item Name> (3,415)
Oxindole

>  <Catalog Number> (3,415)
S4861

>  <Synonyms> (3,415)
2-indolone, 2-Oxindole, Indolin-2-one

>  <Target> (3,415)
Others

>  <Form> (3,415)
free base

>  <URL> (3,415)
http://selleckchem.com/products/oxindole.html

>  <CAS Number> (3,415)
59-48-3

$$$$
S4871 Pyridoxal 5-phosphate monohydrate.cdx
csChFnd80/07171813082D

 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
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    1.0725    2.8001    0.0000 P   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  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
  6 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,416)
3998

>  <Formula> (3,416)
C8H12NO7P

>  <MolWeight> (3,416)
265.157141

>  <Item Name> (3,416)
Pyridoxal 5-phosphate monohydrate

>  <Catalog Number> (3,416)
S4871

>  <Synonyms> (3,416)
N/A

>  <Target> (3,416)
Vitamin

>  <Form> (3,416)
hydrate 

>  <URL> (3,416)
http://selleckchem.com/products/pyridoxal-phosphate-monohydrate.html

>  <CAS Number> (3,416)
 41468-25-1

$$$$
S4874 Cefazedone.cdx
csChFnd80/07171813082D

 33 36  0  0  0  0  0  0  0  0999 V2000
   10.1414    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1414    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7414    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7414    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3538    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5663    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7514    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7514    5.1898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5662    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5663    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1414    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3991    4.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9911    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092    5.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    3.4752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2036    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    5.4550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4824    2.6693    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.3499    0.7076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6946    4.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669    6.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4193    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7193    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3423    3.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,417)
4000

>  <Formula> (3,417)
C18H15Cl2N5O5S3

>  <MolWeight> (3,417)
548.4432

>  <Item Name> (3,417)
Cefazedone

>  <Catalog Number> (3,417)
S4874

>  <Synonyms> (3,417)
Refosporen, Cefazedonum 

>  <Target> (3,417)
Anti-infection

>  <Form> (3,417)
free base

>  <URL> (3,417)
http://selleckchem.com/products/cefazedone.html

>  <CAS Number> (3,417)
56187-47-4

$$$$
S4875 Cephapirin Benzathine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,418)
4001

>  <Formula> (3,418)
C50H54N8O12S4

>  <MolWeight> (3,418)
1087.27016

>  <Item Name> (3,418)
Cephapirin Benzathine

>  <Catalog Number> (3,418)
S4875

>  <Synonyms> (3,418)
N/A

>  <Target> (3,418)
Anti-infection

>  <Form> (3,418)
salt

>  <URL> (3,418)
http://selleckchem.com/products/cephapirin-benzathine.html

>  <CAS Number> (3,418)
97468-37-6

$$$$
S4882 Resorantel.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,419)
4002

>  <Formula> (3,419)
C13H10BrNO3

>  <MolWeight> (3,419)
308.1274

>  <Item Name> (3,419)
Resorantel

>  <Catalog Number> (3,419)
S4882

>  <Synonyms> (3,419)
N/A

>  <Target> (3,419)
Anti-infection

>  <Form> (3,419)
free base

>  <URL> (3,419)
http://selleckchem.com/products/resorantel.html

>  <CAS Number> (3,419)
20788-07-2

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,420)
4003

>  <Formula> (3,420)
C10H13N5O

>  <MolWeight> (3,420)
219.24312

>  <Item Name> (3,420)
Trans-Zeatin

>  <Catalog Number> (3,420)
S4884

>  <Synonyms> (3,420)
(E)-Zeatin

>  <Target> (3,420)
Others

>  <URL> (3,420)
http://selleckchem.com/products/trans-zeatin.html

>  <CAS Number> (3,420)
1637-39-4

$$$$
S4885 Taurolidine.cdx
csChFnd80/07171813082D

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    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
    1.3391    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7652    3.3659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8112    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
  3  7  1  0  0  0  0
  6  8  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  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,421)
4004

>  <Formula> (3,421)
C7H16N4O4S2

>  <MolWeight> (3,421)
284.35634

>  <Item Name> (3,421)
Taurolidine

>  <Catalog Number> (3,421)
S4885

>  <Synonyms> (3,421)
Taurolin, Tauroline, Tauroflex

>  <Target> (3,421)
Anti-infection

>  <Form> (3,421)
free base

>  <URL> (3,421)
http://selleckchem.com/products/taurolidine.html

>  <CAS Number> (3,421)
19388-87-5

$$$$
S4886 Menbutone.cdx
csChFnd80/07171813082D

 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
    9.6865    2.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8518    6.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8956    2.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    4.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    2.8030    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  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
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  2  0  0  0  0
  9 12  1  0  0  0  0
 11 15  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
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,422)
4005

>  <Formula> (3,422)
C15H14O4

>  <MolWeight> (3,422)
258.26926

>  <Item Name> (3,422)
Menbutone

>  <Catalog Number> (3,422)
S4886

>  <Synonyms> (3,422)
Genabilin, Naftobil, Genabilic acid

>  <Target> (3,422)
Others

>  <URL> (3,422)
http://selleckchem.com/products/menbutone.html

>  <CAS Number> (3,422)
3562-99-0

$$$$
S4887 Nikethamide.cdx
csChFnd80/07171813082D

 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
  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  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
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,423)
4006

>  <Formula> (3,423)
C10H14N2O

>  <MolWeight> (3,423)
178.23096

>  <Item Name> (3,423)
Nikethamide

>  <Catalog Number> (3,423)
S4887

>  <Synonyms> (3,423)
Corvin, Anacardone

>  <Target> (3,423)
Others

>  <Form> (3,423)
free base

>  <URL> (3,423)
http://selleckchem.com/products/nikethamide.html

>  <CAS Number> (3,423)
59-26-7

$$$$
S4893 Cytosine.cdx
csChFnd80/07171813082D

  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> (3,424)
4007

>  <Formula> (3,424)
C4H5N3O

>  <MolWeight> (3,424)
111.102

>  <Item Name> (3,424)
Cytosine

>  <Catalog Number> (3,424)
S4893

>  <Synonyms> (3,424)
4-Amino-2-hydroxypyrimidine, Cytosinimine

>  <Target> (3,424)
Others

>  <Form> (3,424)
free base

>  <URL> (3,424)
http://selleckchem.com/products/cytosine.html

>  <CAS Number> (3,424)
71-30-7

$$$$
S4894 D-Glucurone.cdx
csChFnd80/07171813082D

 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
    2.4642    0.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8196    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635    2.4631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3314    1.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407    3.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7603    2.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  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> (3,425)
4008

>  <Formula> (3,425)
C6H8O6

>  <MolWeight> (3,425)
176.12412

>  <Item Name> (3,425)
D-Glucurone

>  <Catalog Number> (3,425)
S4894

>  <Synonyms> (3,425)
N/A

>  <Target> (3,425)
Others

>  <Form> (3,425)
free base

>  <URL> (3,425)
http://selleckchem.com/products/d-glucurone.html

>  <CAS Number> (3,425)
32449-92-6

$$$$
S4897 Nortropine Hydrochloride.cdx
csChFnd80/07171813082D

 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
    3.3270    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2730    2.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650    1.2528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423    4.4854    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
  1 10  1  1  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  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  6  0  0  0
M  END
>  <Mol_ID> (3,426)
4009

>  <Formula> (3,426)
C7H14ClNO

>  <MolWeight> (3,426)
163.64516

>  <Item Name> (3,426)
Nortropine Hydrochloride

>  <Catalog Number> (3,426)
S4897

>  <Synonyms> (3,426)
Nortropeno Hydrochloride

>  <Target> (3,426)
Others

>  <Form> (3,426)
hydrochloride

>  <URL> (3,426)
http://selleckchem.com/products/nortropine-hydrochloride.html

>  <CAS Number> (3,426)
14383-51-8

$$$$
S4898 Sulfalozine sodium.cdx
csChFnd80/07171813082D

 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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 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
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    8.4871    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  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
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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
 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> (3,427)
4010

>  <Formula> (3,427)
C10H9ClN4O2S

>  <MolWeight> (3,427)
284.72206

>  <Item Name> (3,427)
Sulfalozine sodium

>  <Catalog Number> (3,427)
S4898

>  <Synonyms> (3,427)
sulfaclozine sodium, sulfachlopryrazine sodium

>  <Target> (3,427)
Anti-infection

>  <Form> (3,427)
free base

>  <URL> (3,427)
http://selleckchem.com/products/sulfalozine-sodium.html

>  <CAS Number> (3,427)
102-65-8

$$$$
S4899 Sulfogaiacol.cdx
csChFnd80/07171813082D

 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
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  2  5  2  0  0  0  0
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  4  7  2  0  0  0  0
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  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> (3,428)
4011

>  <Formula> (3,428)
C7H7KO5S

>  <MolWeight> (3,428)
242.29078

>  <Item Name> (3,428)
Sulfogaiacol

>  <Catalog Number> (3,428)
S4899

>  <Synonyms> (3,428)
guaiacolsulfonate

>  <Target> (3,428)
Others

>  <URL> (3,428)
http://selleckchem.com/products/sulfogaiacol.html

>  <CAS Number> (3,428)
1321-14-8

$$$$
S4936 Antiarol.cdx
csChFnd80/07171813082D

 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> (3,429)
4012

>  <Formula> (3,429)
C9H12O4

>  <MolWeight> (3,429)
184.18918

>  <Item Name> (3,429)
Antiarol

>  <Catalog Number> (3,429)
S4936

>  <Synonyms> (3,429)
3,4,5-trimethoxyphenol

>  <Target> (3,429)
Others

>  <Form> (3,429)
free base

>  <URL> (3,429)
http://selleckchem.com/products/antiarol.html

>  <CAS Number> (3,429)
642-71-7

$$$$
S4938 Cedrol.cdx
csChFnd80/07171813082D

 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> (3,430)
4013

>  <Formula> (3,430)
C15H26O

>  <MolWeight> (3,430)
222.36634

>  <Item Name> (3,430)
Cedrol

>  <Catalog Number> (3,430)
S4938

>  <Synonyms> (3,430)
N/A

>  <Target> (3,430)
P450 (e.g. CYP17)

>  <Form> (3,430)
free base

>  <URL> (3,430)
http://selleckchem.com/products/cedrol.html

>  <CAS Number> (3,430)
77-53-2

$$$$
S4939 cis-Aconitic acid.cdx
csChFnd80/07171813082D

 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> (3,431)
4014

>  <Formula> (3,431)
C6H6O6

>  <MolWeight> (3,431)
174.10824

>  <Item Name> (3,431)
cis-Aconitic acid

>  <Catalog Number> (3,431)
S4939

>  <Synonyms> (3,431)
cis-aconitate, Achilleic acid, Citridinic acid, Equisetic acid, Pyrocitric acid

>  <Target> (3,431)
Others

>  <Form> (3,431)
free base

>  <URL> (3,431)
http://selleckchem.com/products/cis-aconitic-acid.html

>  <CAS Number> (3,431)
585-84-2

$$$$
S4942 4-Hydroxy-3,5-dimethoxybenzyl alcohol.cdx
csChFnd80/07171813082D

 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> (3,432)
4015

>  <Formula> (3,432)
C9H12O4

>  <MolWeight> (3,432)
184.18918

>  <Item Name> (3,432)
4-Hydroxy-3,5-dimethoxybenzyl alcohol

>  <Catalog Number> (3,432)
S4942

>  <Synonyms> (3,432)
Syringic alcohol, Syringyl alcohol

>  <Target> (3,432)
Anti-infection

>  <Form> (3,432)
free base

>  <URL> (3,432)
http://selleckchem.com/products/4-hydroxy-3-5-dimethoxybenzyl-alcohol.html

>  <CAS Number> (3,432)
530-56-3

$$$$
S4946 2,3-Dihydroxybenzoic acid.cdx
csChFnd80/07171813082D

 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> (3,433)
4016

>  <Formula> (3,433)
C7H6O4

>  <MolWeight> (3,433)
154.12014

>  <Item Name> (3,433)
2,3-Dihydroxybenzoic acid

>  <Catalog Number> (3,433)
S4946

>  <Synonyms> (3,433)
Pyrocatechuic acid, O-Pyrocatechuic acid, 2-Pyrocatechuic acid, 3-Hydroxysalicylic acid, Hypogallic a

>  <Target> (3,433)
Others

>  <Form> (3,433)
free base

>  <URL> (3,433)
http://selleckchem.com/products/2-3-dihydroxybenzoic-acid.html

>  <CAS Number> (3,433)
303-38-8

$$$$
S4958 Glycocholic acid.cdx
csChFnd80/07171813082D

 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> (3,434)
4018

>  <Formula> (3,434)
C26H43NO6

>  <MolWeight> (3,434)
465.62272

>  <Item Name> (3,434)
Glycocholic acid

>  <Catalog Number> (3,434)
S4958

>  <Synonyms> (3,434)
cholylglycine, Glycocholate

>  <Target> (3,434)
Others

>  <Form> (3,434)
free base

>  <URL> (3,434)
http://selleckchem.com/products/glycocholic-acid.html

>  <CAS Number> (3,434)
475-31-0

$$$$
S4959 Skatole.cdx
csChFnd80/07171813082D

 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> (3,435)
4019

>  <Formula> (3,435)
C9H9N

>  <MolWeight> (3,435)
131.17446

>  <Item Name> (3,435)
Skatole

>  <Catalog Number> (3,435)
S4959

>  <Synonyms> (3,435)
3-methylindole, Scatole

>  <Target> (3,435)
Anti-infection

>  <URL> (3,435)
http://selleckchem.com/products/skatole.html

>  <CAS Number> (3,435)
83-34-1

$$$$
S4961 3,4,5-Trimethoxycinnamic acid.cdx
csChFnd80/07171813082D

 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> (3,436)
4020

>  <Formula> (3,436)
C12H14O5

>  <MolWeight> (3,436)
238.23656

>  <Item Name> (3,436)
3,4,5-Trimethoxycinnamic acid

>  <Catalog Number> (3,436)
S4961

>  <Synonyms> (3,436)
N/A

>  <Target> (3,436)
Others

>  <Form> (3,436)
free base

>  <URL> (3,436)
http://selleckchem.com/products/trimethoxycinnamic-acid.html

>  <CAS Number> (3,436)
90-50-6

$$$$
S4962 Agmatine sulfate.cdx
csChFnd80/07171813082D

 14 12  0  0  0  0  0  0  0  0999 V2000
    6.1832    0.9899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1933    1.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1732    1.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1933    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1732    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.7348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  2  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,437)
4021

>  <Formula> (3,437)
C5H16N4O4S

>  <MolWeight> (3,437)
228.26994

>  <Item Name> (3,437)
Agmatine sulfate

>  <Catalog Number> (3,437)
S4962

>  <Synonyms> (3,437)
N/A

>  <Target> (3,437)
NOS

>  <URL> (3,437)
http://selleckchem.com/products/agmatine-sulfate.html

>  <CAS Number> (3,437)
2482-00-0

$$$$
S4963 Purpurin.cdx
csChFnd80/07171813082D

 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
    7.2979    3.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6572    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3020    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2245    4.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5126    4.1886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253    1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0133    2.0965    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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 11  2  0  0  0  0
  9 16  1  0  0  0  0
  9 13  2  0  0  0  0
 11 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,438)
4022

>  <Formula> (3,438)
C14H8O5

>  <MolWeight> (3,438)
256.21032

>  <Item Name> (3,438)
Purpurin

>  <Catalog Number> (3,438)
S4963

>  <Synonyms> (3,438)
1,2,4-Trihydroxyanthraquinone; Hydroxylizaric acid; Verantin

>  <Target> (3,438)
Others

>  <Form> (3,438)
free base

>  <URL> (3,438)
http://selleckchem.com/products/purpurin.html

>  <CAS Number> (3,438)
81-54-9

$$$$
S4964 Lactobionic acid.cdx
csChFnd80/07171813082D

 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
    6.0655    6.3290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6406    3.5290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6406    7.7290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4282    5.6290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2779    5.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0655    7.7290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4385    4.2230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406    2.1162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4282    8.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    8.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2779    4.2290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2052    3.5110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4232    1.4133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8511    1.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    7.7290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    9.8290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2052    2.1022    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012    1.4071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5962    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
  3  6  1  0  0  0  0
  3  7  1  6  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  1  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  6  0  0  0
  8 14  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
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  1  0  0  0
 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> (3,439)
4023

>  <Formula> (3,439)
C12H22O12

>  <MolWeight> (3,439)
358.29588

>  <Item Name> (3,439)
Lactobionic acid

>  <Catalog Number> (3,439)
S4964

>  <Synonyms> (3,439)
Galactosylgluconic acid

>  <Target> (3,439)
Others

>  <URL> (3,439)
http://selleckchem.com/products/lactobionic-acid.html

>  <CAS Number> (3,439)
96-82-2

$$$$
S4965 Helicin.cdx
csChFnd80/07171813082D

 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
    7.7157    3.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6191    4.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4014    2.4189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4009    4.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3773    0.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4078    4.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4157    2.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3147    6.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014    2.4189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6919    6.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8175    2.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7166    1.1996    0.0000 H   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
  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
  7 13  1  1  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  6  0  0  0
 12 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 19  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,440)
4024

>  <Formula> (3,440)
C13H16O7

>  <MolWeight> (3,440)
284.26194

>  <Item Name> (3,440)
Helecin

>  <Catalog Number> (3,440)
S4965

>  <Synonyms> (3,440)
Helicin

>  <Target> (3,440)
Others

>  <Form> (3,440)
free base

>  <URL> (3,440)
http://selleckchem.com/products/helicin.html

>  <CAS Number> (3,440)
618-65-5

$$$$
S4966 4-Methylesculetin.cdx
csChFnd80/07171813082D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  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
    1.2124    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
    7.2746    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  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
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,441)
4025

>  <Formula> (3,441)
C10H8O4

>  <MolWeight> (3,441)
192.16812

>  <Item Name> (3,441)
4-Methylesculetin

>  <Catalog Number> (3,441)
S4966

>  <Synonyms> (3,441)
N/A

>  <Target> (3,441)
Immunology & Inflammation related

>  <Form> (3,441)
free base

>  <URL> (3,441)
http://selleckchem.com/products/methylesculetin.html

>  <CAS Number> (3,441)
529-84-0

$$$$
S4973 Iminostilbene.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,442)
4027

>  <Formula> (3,442)
C14H11N

>  <MolWeight> (3,442)
193.24384

>  <Item Name> (3,442)
Iminostilbene

>  <Catalog Number> (3,442)
S4973

>  <Synonyms> (3,442)
Dibenzazepine

>  <Target> (3,442)
Others

>  <Form> (3,442)
free base

>  <URL> (3,442)
http://selleckchem.com/products/iminostilbene.html

>  <CAS Number> (3,442)
256-96-2

$$$$
S4975 Fimasartan.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,443)
4028

>  <Formula> (3,443)
C27H31N7OS

>  <MolWeight> (3,443)
501.64634

>  <Item Name> (3,443)
Fimasartan

>  <Catalog Number> (3,443)
S4975

>  <Synonyms> (3,443)
Kanarb

>  <Target> (3,443)
RAAS

>  <Form> (3,443)
free base

>  <URL> (3,443)
http://selleckchem.com/products/fimasartan.html

>  <CAS Number> (3,443)
247257-48-3

$$$$
S4977 Efonidipine.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,444)
4029

>  <Formula> (3,444)
C34H38N3O7P

>  <MolWeight> (3,444)
631.655181

>  <Item Name> (3,444)
Efonidipine

>  <Catalog Number> (3,444)
S4977

>  <Synonyms> (3,444)
NZ-105

>  <Target> (3,444)
Calcium Channel

>  <Form> (3,444)
free base

>  <URL> (3,444)
http://selleckchem.com/products/efonidipine.html

>  <CAS Number> (3,444)
111011-63-3

$$$$
S5017 Oxyclozanide.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,445)
4030

>  <Formula> (3,445)
C13H6Cl5NO3

>  <MolWeight> (3,445)
401.45664

>  <Item Name> (3,445)
Oxyclozanide

>  <Catalog Number> (3,445)
S5017

>  <Synonyms> (3,445)
Oxiclozanidum, Zanil, Oxyclozanid, Zanilox

>  <Target> (3,445)
Anti-infection

>  <Form> (3,445)
free base

>  <URL> (3,445)
http://selleckchem.com/products/oxyclozanide.html

>  <CAS Number> (3,445)
2277-92-1

$$$$
S5019 Indobufen.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,450)
4035

>  <Formula> (3,450)
C16H20N4O3S

>  <MolWeight> (3,450)
348.42

>  <Item Name> (3,450)
GLPG1837

>  <Catalog Number> (3,450)
S8698

>  <Synonyms> (3,450)
ABBV-974

>  <Target> (3,450)
CFTR

>  <Form> (3,450)
free base

>  <URL> (3,450)
http://selleckchem.com/products/glpg1837.html

>  <CAS Number> (3,450)
1654725-02-6

$$$$
S4847 Faropenem Sodium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,451)
4036

>  <Formula> (3,451)
C12H14NNaO5S

>  <MolWeight> (3,451)
307.29803

>  <Item Name> (3,451)
Faropenem Sodium

>  <Catalog Number> (3,451)
S4847

>  <Synonyms> (3,451)
N/A

>  <Target> (3,451)
Anti-infection

>  <URL> (3,451)
http://selleckchem.com/products/faropenem-sodium.html

>  <CAS Number> (3,451)
122547-49-3

$$$$
S4870 Cefodizime Sodium.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,452)
4037

>  <Formula> (3,452)
C20H18N6Na2O7S4

>  <MolWeight> (3,452)
628.63246

>  <Item Name> (3,452)
Cefodizime Sodium

>  <Catalog Number> (3,452)
S4870

>  <Synonyms> (3,452)
N/A

>  <Target> (3,452)
Anti-infection

>  <Form> (3,452)
disodium salt

>  <URL> (3,452)
http://selleckchem.com/products/cefodizime-sodium.html

>  <CAS Number> (3,452)
86329-79-5

$$$$
S4883 Lynestrenol.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,453)
4038

>  <Formula> (3,453)
C20H28O

>  <MolWeight> (3,453)
284.43572

>  <Item Name> (3,453)
Lynestrenol

>  <Catalog Number> (3,453)
S4883

>  <Synonyms> (3,453)
Ethinylestrenol

>  <Target> (3,453)
Estrogen/progestogen Receptor

>  <Form> (3,453)
free base

>  <URL> (3,453)
http://selleckchem.com/products/lynestrenol.html

>  <CAS Number> (3,453)
52-76-6

$$$$
S5018 Mebhydrolin napadisylate.cdx
csChFnd80/07171813082D

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 57 60  1  0  0  0  0
 58 60  2  0  0  0  0
M  END
>  <Mol_ID> (3,454)
4039

>  <Formula> (3,454)
C48H48N4O6S2

>  <MolWeight> (3,454)
841.04792

>  <Item Name> (3,454)
Mebhydrolin napadisylate

>  <Catalog Number> (3,454)
S5018

>  <Synonyms> (3,454)
Diazoline, Diazolin, Incidal, Omeril

>  <Target> (3,454)
Histamine Receptor

>  <Form> (3,454)
salt

>  <URL> (3,454)
http://selleckchem.com/products/mebhydrolin-napadisylate.html

>  <CAS Number> (3,454)
6153-33-9

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/07171813082D

 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
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   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
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 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,455)
4040

>  <Formula> (3,455)
C25H36Cl2N2O3

>  <MolWeight> (3,455)
483.47094

>  <Item Name> (3,455)
Tilorone dihydrochloride

>  <Catalog Number> (3,455)
S5020

>  <Synonyms> (3,455)
N/A

>  <Target> (3,455)
Anti-infection

>  <Form> (3,455)
dihydrochloride 

>  <URL> (3,455)
http://selleckchem.com/products/tilorone-dihydrochloride.html

>  <CAS Number> (3,455)
27591-69-1

$$$$
S5027 Mebeverine Hydrochloride.cdx
csChFnd80/07171813082D

 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
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  1  2  1  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (3,456)
4041

>  <Formula> (3,456)
C25H36ClNO5

>  <MolWeight> (3,456)
466.01004

>  <Item Name> (3,456)
Mebeverine Hydrochloride

>  <Catalog Number> (3,456)
S5027

>  <Synonyms> (3,456)
Duspatalin Hydrochloride, Duspatal Hydrochloride, Colofac Hydrochloride

>  <Target> (3,456)
Others

>  <Form> (3,456)
hydrochloride 

>  <URL> (3,456)
http://selleckchem.com/products/mebeverine-hydrochlo.html

>  <CAS Number> (3,456)
 2753-45-9

$$$$
S5028 Dalfampridine4-Aminopyridine.cdx
csChFnd80/07171813082D

  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
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  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> (3,457)
4042

>  <Formula> (3,457)
C5H6N2

>  <MolWeight> (3,457)
94.11454

>  <Item Name> (3,457)
4-Aminopyridine

>  <Catalog Number> (3,457)
S5028

>  <Synonyms> (3,457)
fampridine, dalfampridine

>  <Target> (3,457)
Potassium Channel

>  <Form> (3,457)
free base

>  <URL> (3,457)
http://selleckchem.com/products/aminopyridine.html

>  <CAS Number> (3,457)
504-24-5

$$$$
QUTENZA (capsaicin).cdx
csChFnd80/07171813082D

 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
    4.8624    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167    1.3976    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
    6.0748    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1412    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5661    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7785    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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 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> (3,458)
4043

>  <Formula> (3,458)
C18H27NO3

>  <MolWeight> (3,458)
305.41188

>  <Item Name> (3,458)
Capsaicin

>  <Catalog Number> (3,458)
S1990

>  <Synonyms> (3,458)
Qutenza, Vanilloid

>  <Target> (3,458)
Others

>  <URL> (3,458)
http://www.selleckchem.com/products/Capsaicin(Qutenza).html

>  <CAS Number> (3,458)
404-86-4

$$$$
S4866 Nicarbazin.cdx
csChFnd80/07171813082D

 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
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   13.3368    4.7902    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   16.5223    2.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9847    2.1329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7540    4.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5208    0.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  4  7  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 10  2  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
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 25 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
M  END
>  <Mol_ID> (3,459)
4044

>  <Formula> (3,459)
C19H18N6O6

>  <MolWeight> (3,459)
426.38282

>  <Item Name> (3,459)
Nicarbazin

>  <Catalog Number> (3,459)
S4866

>  <Synonyms> (3,459)
N/A

>  <Target> (3,459)
Anti-infection

>  <Form> (3,459)
salt

>  <URL> (3,459)
http://selleckchem.com/products/nicarbazin.html

>  <CAS Number> (3,459)
330-95-0

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/07171813082D

 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
    4.8445    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.7100    3.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9281    4.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    3.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4886    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  2  0  0  0  0
  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  2  0  0  0  0
 11 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
M  END
>  <Mol_ID> (3,460)
4045

>  <Formula> (3,460)
C15H12O2

>  <MolWeight> (3,460)
224.25458

>  <Item Name> (3,460)
4'-Hydroxychalcone

>  <Catalog Number> (3,460)
S4937

>  <Synonyms> (3,460)
P-Cinnamoylphenol

>  <Target> (3,460)
Others

>  <Form> (3,460)
free base

>  <URL> (3,460)
http://selleckchem.com/products/hydroxychalcone.html

>  <CAS Number> (3,460)
2657-25-2

$$$$
S4972 Choline Glycerophosphate.cdx
csChFnd80/07171813082D

 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
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   11.9945    2.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3507    2.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
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M  END
>  <Mol_ID> (3,461)
4046

>  <Formula> (3,461)
C8H20NO6P

>  <MolWeight> (3,461)
257.221261

>  <Item Name> (3,461)
Choline Glycerophosphate

>  <Catalog Number> (3,461)
S4972

>  <Synonyms> (3,461)
Glycerophosphorylcholine

>  <Target> (3,461)
Others

>  <URL> (3,461)
http://selleckchem.com/products/choline-glycerophosphate.html

>  <CAS Number> (3,461)
28319-77-9

$$$$
S4976 Sulfalene(SMPZ).cdx
csChFnd80/07171813082D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6195    7.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    5.6116    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3979    7.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8061    7.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    4.2116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227    5.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0227    5.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3979    9.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8061    9.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    9.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    4.2048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255   11.2334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
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 10 12  2  0  0  0  0
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 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,462)
4047

>  <Formula> (3,462)
C11H12N4O3S

>  <MolWeight> (3,462)
280.30298

>  <Item Name> (3,462)
Sulfalene(SMPZ)

>  <Catalog Number> (3,462)
S4976

>  <Synonyms> (3,462)
Butadiene sulfone, 3-Sulfolene

>  <Target> (3,462)
Others

>  <Form> (3,462)
free base

>  <URL> (3,462)
http://selleckchem.com/products/sulfalene-smpz.html

>  <CAS Number> (3,462)
152-47-6

$$$$
S4982 2,2'5',2''-Terthiophene.cdx
csChFnd80/07171813082D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.6077    1.3304    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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M  END
>  <Mol_ID> (3,463)
4048

>  <Formula> (3,463)
C12H8S3

>  <MolWeight> (3,463)
248.38692

>  <Item Name> (3,463)
2,2':5',2''-Terthiophene

>  <Catalog Number> (3,463)
S4982

>  <Synonyms> (3,463)
N/A

>  <Target> (3,463)
Others

>  <Form> (3,463)
free base

>  <URL> (3,463)
http://selleckchem.com/products/terthiophene.html

>  <CAS Number> (3,463)
1081-34-1

$$$$
S4983 Sorbic acid.cdx
csChFnd80/07171813082D

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.8567    0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6535    0.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0734    0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4367    0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2922    0.0302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723    2.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    0.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  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  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,464)
4049

>  <Formula> (3,464)
C6H8O2

>  <MolWeight> (3,464)
112.12652

>  <Item Name> (3,464)
Sorbic acid

>  <Catalog Number> (3,464)
S4983

>  <Synonyms> (3,464)
2,4-Hexadienoic acid

>  <Target> (3,464)
Others

>  <Form> (3,464)
free base

>  <URL> (3,464)
http://selleckchem.com/products/sorbic-acid.html

>  <CAS Number> (3,464)
110-44-1

$$$$
S5016 Isoprinosine.cdx
csChFnd80/07171813082D

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M  END
>  <Mol_ID> (3,465)
4050

>  <Formula> (3,465)
C52H78N10O17

>  <MolWeight> (3,465)
1115.23252

>  <Item Name> (3,465)
Isoprinosine

>  <Catalog Number> (3,465)
S5016

>  <Synonyms> (3,465)
inosine pranobex, Immunovir, Groprinosin, Delimmun

>  <Target> (3,465)
Anti-infection,Immunology & Inflammation rel

>  <Form> (3,465)
salt

>  <URL> (3,465)
http://selleckchem.com/products/isoprinosine.html

>  <CAS Number> (3,465)
36703-88-5

$$$$
S5029 Etofylline.cdx
csChFnd80/07171813082D

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    3.6381    3.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6398    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4282    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7933    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,466)
4052

>  <Formula> (3,466)
C9H12N4O3

>  <MolWeight> (3,466)
224.21658

>  <Item Name> (3,466)
Etofylline

>  <Catalog Number> (3,466)
S5029

>  <Synonyms> (3,466)
Aethophyllinum, Cordalin, Oxyphylline

>  <Target> (3,466)
Others

>  <URL> (3,466)
http://selleckchem.com/products/etofylline.html

>  <CAS Number> (3,466)
 519-37-9

$$$$
S5032 Mephenesin.cdx
csChFnd80/07171813082D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4231    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,467)
4053

>  <Formula> (3,467)
C10H14O3

>  <MolWeight> (3,467)
182.21636

>  <Item Name> (3,467)
Mephenesin

>  <Catalog Number> (3,467)
S5032

>  <Synonyms> (3,467)
Decontractyl, Cresoxydiol, Memphenesin, Mephedan

>  <Target> (3,467)
NMDAR

>  <Form> (3,467)
free base

>  <URL> (3,467)
http://selleckchem.com/products/mephenesin.html

>  <CAS Number> (3,467)
59-47-2

$$$$
S5034 Melitracen hydrochloride.cdx
csChFnd80/07171813082D

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    0.0000    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> (3,468)
4054

>  <Formula> (3,468)
C21H26ClN

>  <MolWeight> (3,468)
327.89084

>  <Item Name> (3,468)
Melitracen hydrochloride

>  <Catalog Number> (3,468)
S5034

>  <Synonyms> (3,468)
Thymeol hydrochloride

>  <Target> (3,468)
Dopamine Receptor

>  <Form> (3,468)
hydrochloride 

>  <URL> (3,468)
http://selleckchem.com/products/melitracen-hydrochloride.html

>  <CAS Number> (3,468)
10563-70-9

$$$$
S5040 Tiamulin.cdx
csChFnd80/07171813082D

 35 37  0  0  0  0  0  0  0  0999 V2000
   11.0182    1.8981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   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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4055

>  <Formula> (3,469)
C28H47NO4S

>  <MolWeight> (3,469)
493.74208

>  <Item Name> (3,469)
Tiamulin

>  <Catalog Number> (3,469)
S5040

>  <Synonyms> (3,469)
N/A

>  <Target> (3,469)
Others

>  <Form> (3,469)
free base

>  <URL> (3,469)
http://selleckchem.com/products/tiamulin.html

>  <CAS Number> (3,469)
55297-95-5

$$$$
S5042 Bevantolol hydrochloride.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,470)
4056

>  <Formula> (3,470)
C20H28ClNO4

>  <MolWeight> (3,470)
381.89362

>  <Item Name> (3,470)
Bevantolol hydrochloride

>  <Catalog Number> (3,470)
S5042

>  <Synonyms> (3,470)
NC-1400 hydrochloride

>  <Target> (3,470)
Adrenergic Receptor

>  <Form> (3,470)
hydrochloride 

>  <URL> (3,470)
http://selleckchem.com/products/bevantolol-hydrochloride.html

>  <CAS Number> (3,470)
42864-78-8

$$$$
S5044 Isoxepac.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,471)
4057

>  <Formula> (3,471)
C16H12O4

>  <MolWeight> (3,471)
268.26408

>  <Item Name> (3,471)
Isoxepac

>  <Catalog Number> (3,471)
S5044

>  <Synonyms> (3,471)
N/A

>  <Target> (3,471)
Immunology & Inflammation related

>  <Form> (3,471)
free base

>  <URL> (3,471)
http://selleckchem.com/products/isoxepac.html

>  <CAS Number> (3,471)
55453-87-7

$$$$
S5046 Clonixin.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,472)
4058

>  <Formula> (3,472)
C13H11ClN2O2

>  <MolWeight> (3,472)
262.69164

>  <Item Name> (3,472)
Clonixin

>  <Catalog Number> (3,472)
S5046

>  <Synonyms> (3,472)
Clonixic acid

>  <Target> (3,472)
Immunology & Inflammation related

>  <Form> (3,472)
free base

>  <URL> (3,472)
http://selleckchem.com/products/clonixin.html

>  <CAS Number> (3,472)
 17737-65-4

$$$$
PHTPP.cdx
csChFnd80/07171813082D

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M  END
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>  <Formula> (3,473)
C20H11F6N3O

>  <MolWeight> (3,473)
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>  <Item Name> (3,473)
PHTPP

>  <Catalog Number> (3,473)
S8686

>  <Synonyms> (3,473)
N/A

>  <Target> (3,473)
Estrogen/progestogen Receptor

>  <Form> (3,473)
free base

>  <URL> (3,473)
http://selleckchem.com/products/phtpp.html

>  <CAS Number> (3,473)
805239-56-9

$$$$
RAF709.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,474)
4060

>  <Formula> (3,474)
C28H29F3N4O4

>  <MolWeight> (3,474)
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>  <Item Name> (3,474)
RAF709

>  <Catalog Number> (3,474)
S8690

>  <Synonyms> (3,474)
N/A

>  <Target> (3,474)
Raf

>  <Form> (3,474)
free base

>  <URL> (3,474)
http://selleckchem.com/products/raf709.html

>  <CAS Number> (3,474)
1628838-42-5

$$$$
ML221.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,475)
4061

>  <Formula> (3,475)
C17H11N3O6S

>  <MolWeight> (3,475)
385.35074

>  <Item Name> (3,475)
ML221

>  <Catalog Number> (3,475)
S8695

>  <Synonyms> (3,475)
N/A

>  <Target> (3,475)
Others

>  <URL> (3,475)
http://selleckchem.com/products/ml221.html

>  <CAS Number> (3,475)
877636-42-5

$$$$
Sodium valproate.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,476)
4062

>  <Formula> (3,476)
C8H15NaO2

>  <MolWeight> (3,476)
166.19327

>  <Item Name> (3,476)
Valproic acid sodium salt (Sodium valproate)

>  <Catalog Number> (3,476)
S1168

>  <Synonyms> (3,476)
N/A 

>  <Target> (3,476)
GABA Receptor, HDAC

>  <URL> (3,476)
http://www.selleckchem.com/products/Sodium-valproate.html

>  <CAS Number> (3,476)
1069-66-5, 99-66-1 (FREE BASE)

$$$$
S4623 5,5-Dimethyloxazolidine-2,4-dione.cdx
csChFnd80/07171813082D

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>  <Mol_ID> (3,477)
4063

>  <Formula> (3,477)
C5H7NO3

>  <MolWeight> (3,477)
129.11398

>  <Item Name> (3,477)
5,5-Dimethyloxazolidine-2,4-dione

>  <Catalog Number> (3,477)
S4624

>  <Synonyms> (3,477)
Dimethadione, Dimethyloxazolidinedione, Dimethadion

>  <Target> (3,477)
Others

>  <Form> (3,477)
free base

>  <URL> (3,477)
http://selleckchem.com/products/5-5-dimethyloxazolidine-2-4-dione.html

>  <CAS Number> (3,477)
695-53-4

$$$$
