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>  <Mol_ID> (1)
1

>  <Formula> (1)
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>  <MolWeight> (1)
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>  <Item Name> (1)
ABT-263 (Navitoclax)

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S1001

>  <Synonyms> (1)
N/A 

>  <Target> (1)
Bcl-2 

>  <Form> (1)
Free Base

>  <URL> (1)
http://www.selleckchem.com/products/ABT-263.html

>  <CAS Number> (1)
923564-51-6

>  <Plate Location> (1)
a1

>  <Rack Number> (1)
L1700-01

$$$$

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>  <Mol_ID> (2)
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>  <Formula> (2)
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>  <Item Name> (2)
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>  <Catalog Number> (2)
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>  <Synonyms> (2)
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>  <Target> (2)
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>  <Form> (2)
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>  <URL> (2)
http://www.selleckchem.com/products/ABT-737.html

>  <CAS Number> (2)
852808-04-9

>  <Plate Location> (2)
b1

>  <Rack Number> (2)
L1700-01

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C21H18FN5O

>  <MolWeight> (3)
375.3989232

>  <Item Name> (3)
Linifanib (ABT-869)

>  <Catalog Number> (3)
S1003

>  <Synonyms> (3)
AL-39324

>  <Target> (3)
PDGFR, VEGFR

>  <Form> (3)
Free Base

>  <URL> (3)
http://www.selleckchem.com/products/ABT-869.html

>  <CAS Number> (3)
796967-16-3

>  <Plate Location> (3)
c1

>  <Rack Number> (3)
L1700-01

$$$$
ABT-888(Veliparib).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C13H16N4O

>  <MolWeight> (4)
244.29234

>  <Item Name> (4)
ABT-888 (Veliparib)

>  <Catalog Number> (4)
S1004

>  <Synonyms> (4)
N/A 

>  <Target> (4)
PARP 

>  <Form> (4)
Free Base

>  <URL> (4)
http://www.selleckchem.com/products/ABT-888.html

>  <CAS Number> (4)
912444-00-9

>  <Plate Location> (4)
d1

>  <Rack Number> (4)
L1700-01

$$$$
untitled.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C22H18N4OS

>  <MolWeight> (5)
386.46952

>  <Item Name> (5)
Axitinib

>  <Catalog Number> (5)
S1005

>  <Synonyms> (5)
AG 013736

>  <Target> (5)
VEGFR, PDGFR, c-Kit

>  <Form> (5)
Free Base

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

>  <CAS Number> (5)
319460-85-0

>  <Plate Location> (5)
e1

>  <Rack Number> (5)
L1700-01

$$$$
untitled.cdx
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>  <Mol_ID> (6)
6

>  <Formula> (6)
C27H32ClN5O5

>  <MolWeight> (6)
542.02648

>  <Item Name> (6)
Saracatinib (AZD0530)

>  <Catalog Number> (6)
S1006

>  <Synonyms> (6)
N/A 

>  <Target> (6)
Src, Bcr-Abl

>  <Form> (6)
Free Base

>  <URL> (6)
http://www.selleckchem.com/products/AZD0530.html

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

>  <Plate Location> (6)
f1

>  <Rack Number> (6)
L1700-01

$$$$
azd6244.cdx
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ARRY-142886 

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MEK

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Free Base

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>  <CAS Number> (7)
606143-52-6

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h1

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L1700-01

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untitled.cdx
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N/A 

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VEGFR, PDGFR, FGFR

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Free Base

>  <URL> (8)
http://www.selleckchem.com/products/BIBF1120.html

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656247-17-5

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a2

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L1700-01

$$$$
untitled.cdx
csChFnd80/04011511122D

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9

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Bortezomib (Velcade)

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MG-341, PS-341

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Proteasome

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Free Base

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

>  <CAS Number> (9)
179324-69-7

>  <Plate Location> (9)
d2

>  <Rack Number> (9)
L1700-01

$$$$
Bosutinib (SKI-606).cdx
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Src

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380843-75-4

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e2

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L1700-01

$$$$
untitled.cdx
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Recentin 

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VEGFR, Flt

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288383-20-0

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f2

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L1700-01

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CI1040.cdx
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N/A 

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MEK 

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Free Base

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212631-79-3

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h2

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L1700-01

$$$$
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302962-49-8

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a3

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L1700-01

$$$$
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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

>  <Plate Location> (14)
b3

>  <Rack Number> (14)
L1700-01

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>  <Mol_ID> (15)
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C21H21FN6O

>  <MolWeight> (15)
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>  <Item Name> (15)
Dovitinib (TKI-258)

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S1018

>  <Synonyms> (15)
CHIR-258 

>  <Target> (15)
c-Kit, FGFR, Flt, VEGFR, PDGFR 

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Citrate

>  <URL> (15)
http://www.selleckchem.com/products/CHIR-258.html

>  <CAS Number> (15)
405169-16-6

>  <Plate Location> (15)
g2

>  <Rack Number> (15)
L1700-01

$$$$
untitled.cdx
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>  <Mol_ID> (16)
16

>  <Formula> (16)
C22H24ClFN4O3

>  <MolWeight> (16)
446.9023632

>  <Item Name> (16)
Gefitinib (Iressa)

>  <Catalog Number> (16)
S1025

>  <Synonyms> (16)
ZD-1839

>  <Target> (16)
EGFR

>  <Form> (16)
Free Base

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

>  <CAS Number> (16)
184475-35-2

>  <Plate Location> (16)
d3

>  <Rack Number> (16)
L1700-01

$$$$
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>  <Mol_ID> (17)
17

>  <Formula> (17)
C30H35N7O4S

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>  <Item Name> (17)
Imatinib Mesylate

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S1026

>  <Synonyms> (17)
Glivec, CGP-57148B, STI-571 

>  <Target> (17)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (17)
Mesylate

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

>  <CAS Number> (17)
220127-57-1

>  <Plate Location> (17)
e3

>  <Rack Number> (17)
L1700-01

$$$$
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GW-57201

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EGFR, HER2

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Ditosylat

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http://www.selleckchem.com/products/Lapatinib-Ditosylate.html

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388082-77-7

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f3

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L1700-01

$$$$
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TNF-alpha

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Free Base

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

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191732-72-6

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g3

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L1700-01

$$$$
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HDAC 

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Free Base

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>  <CAS Number> (20)
404950-80-7

>  <Plate Location> (20)
h3

>  <Rack Number> (20)
L1700-01

$$$$
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M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C22H29N5O9P2

>  <MolWeight> (21)
569.441282

>  <Item Name> (21)
Motesanib Diphosphate

>  <Catalog Number> (21)
S1032

>  <Synonyms> (21)
AMG-706

>  <Target> (21)
VEGFR, PDGFR, c-Kit

>  <Form> (21)
Diphosphate

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

>  <CAS Number> (21)
857876-30-3

>  <Plate Location> (21)
a4

>  <Rack Number> (21)
L1700-01

$$$$
untitled.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C28H22F3N7O

>  <MolWeight> (22)
529.5157896

>  <Item Name> (22)
Nilotinib (AMN-107)

>  <Catalog Number> (22)
S1033

>  <Synonyms> (22)
Tasigna 

>  <Target> (22)
Bcr-Abl

>  <Form> (22)
Free Base

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

>  <CAS Number> (22)
641571-10-0

>  <Plate Location> (22)
b4

>  <Rack Number> (22)
L1700-01

$$$$
untitled.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C21H24ClN7O2S

>  <MolWeight> (23)
473.97896

>  <Item Name> (23)
Pazopanib HCl

>  <Catalog Number> (23)
S1035

>  <Synonyms> (23)
GW786034

>  <Target> (23)
VEGFR, PDGFR, c-Kit

>  <Form> (23)
Hydrochloride

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

>  <CAS Number> (23)
635702-64-6

>  <Plate Location> (23)
d4

>  <Rack Number> (23)
L1700-01

$$$$
untitled.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C16H14F3IN2O4

>  <MolWeight> (24)
482.1930396

>  <Item Name> (24)
PD0325901

>  <Catalog Number> (24)
S1036

>  <Synonyms> (24)
N/A

>  <Target> (24)
MEK 

>  <Form> (24)
Free Base

>  <URL> (24)
http://www.selleckchem.com/products/PD-0325901.html

>  <CAS Number> (24)
391210-10-9

>  <Plate Location> (24)
e4

>  <Rack Number> (24)
L1700-01

$$$$
Dimesna.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (29)
29

>  <Formula> (29)
C51H79NO13

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Rapamycin (Sirolimus)

>  <Catalog Number> (29)
S1039

>  <Synonyms> (29)
N/A 

>  <Target> (29)
mTOR 

>  <Form> (29)
Free Base

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

>  <CAS Number> (29)
53123-88-9

>  <Plate Location> (29)
g4

>  <Rack Number> (29)
L1700-01

$$$$

csChFnd80/04011511122D

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M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C28H24ClF3N4O6S

>  <MolWeight> (30)
637.0265696

>  <Item Name> (30)
Sorafenib (Nexavar)

>  <Catalog Number> (30)
S1040

>  <Synonyms> (30)
Bay 43-9006 

>  <Target> (30)
VEGFR, PDGFR, Raf

>  <Form> (30)
Tosylate

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

>  <CAS Number> (30)
475207-59-1

>  <Plate Location> (30)
h4

>  <Rack Number> (30)
L1700-01

$$$$
untitled.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C15H13N3S

>  <MolWeight> (31)
267.34882

>  <Item Name> (31)
STF-62247

>  <Catalog Number> (31)
S1041

>  <Synonyms> (31)
N/A

>  <Target> (31)
Others

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/STF-62247.html

>  <CAS Number> (31)
315702-99-9

>  <Plate Location> (31)
a5

>  <Rack Number> (31)
L1700-01

$$$$

csChFnd80/04011511122D

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M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C26H33FN4O7

>  <MolWeight> (32)
532.5612232

>  <Item Name> (32)
Sunitinib Malate (Sutent)

>  <Catalog Number> (32)
S1042

>  <Synonyms> (32)
SU-11248 

>  <Target> (32)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (32)
Malate

>  <URL> (32)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

>  <CAS Number> (32)
341031-54-7

>  <Plate Location> (32)
b5

>  <Rack Number> (32)
L1700-01

$$$$
untitled.cdx
csChFnd80/04011511122D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C31H42N6O4

>  <MolWeight> (33)
562.70298

>  <Item Name> (33)
Tandutinib (MLN518)

>  <Catalog Number> (33)
S1043

>  <Synonyms> (33)
CT53518

>  <Target> (33)
Flt

>  <Form> (33)
Free Base

>  <URL> (33)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

>  <CAS Number> (33)
387867-13-2

>  <Plate Location> (33)
c5

>  <Rack Number> (33)
L1700-01

$$$$
Trichostatin A.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C17H22N2O3

>  <MolWeight> (34)
302.36818

>  <Item Name> (34)
Trichostatin A (TSA)

>  <Catalog Number> (34)
S1045

>  <Synonyms> (34)
TSA

>  <Target> (34)
HDAC 

>  <Form> (34)
Free Base

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

>  <CAS Number> (34)
58880-19-6

>  <Plate Location> (34)
e5

>  <Rack Number> (34)
L1700-01

$$$$
untitled.cdx
csChFnd80/04011511122D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C22H24BrFN4O2

>  <MolWeight> (35)
475.3539632

>  <Item Name> (35)
Vandetanib (Zactima)

>  <Catalog Number> (35)
S1046

>  <Synonyms> (35)
ZD6474 

>  <Target> (35)
VEGFR

>  <Form> (35)
Free Base

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

>  <CAS Number> (35)
443913-73-3

>  <Plate Location> (35)
f5

>  <Rack Number> (35)
L1700-01

$$$$
vorinostat.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C14H20N2O3

>  <MolWeight> (36)
264.3202

>  <Item Name> (36)
Vorinostat (SAHA)

>  <Catalog Number> (36)
S1047

>  <Synonyms> (36)
Zolinza, MK-0683 

>  <Target> (36)
HDAC

>  <Form> (36)
Free Base

>  <URL> (36)
http://www.selleckchem.com/products/Vorinostat-(SAHA).html

>  <CAS Number> (36)
149647-78-9

>  <Plate Location> (36)
g5

>  <Rack Number> (36)
L1700-01

$$$$
untitled.cdx
csChFnd80/04011511122D

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Aurora Kinase

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Free Base

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639089-54-6

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L1700-01

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C14H23Cl2N3O

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Y-27632 2HCl

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S1049

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N/A

>  <Target> (38)
ROCK

>  <Form> (38)
Dihydrochloric

>  <URL> (38)
http://www.selleckchem.com/products/Y-27632.html

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

>  <Plate Location> (38)
a6

>  <Rack Number> (38)
L1700-01

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>  <Mol_ID> (39)
39

>  <Formula> (39)
C19H20N4O2S2

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400.5177

>  <Item Name> (39)
Elesclomol

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S1052

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STA-4783

>  <Target> (39)
HSP

>  <Form> (39)
Free Base

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

>  <CAS Number> (39)
488832-69-5

>  <Plate Location> (39)
b6

>  <Rack Number> (39)
L1700-01

$$$$
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csChFnd80/04011511122D

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40

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HDAC 

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209783-80-2

>  <Plate Location> (40)
c6

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L1700-01

$$$$
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N/A 

>  <Target> (41)
PKC 

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Free Base

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170364-57-5

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d6

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>  <Mol_ID> (42)
42

>  <Formula> (42)
C27H28ClFN8O3

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BMS-599626 (AC480)

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S1056

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N/A 

>  <Target> (42)
EGFR, HER2

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Free Base

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http://www.selleckchem.com/products/BMS-599626.html

>  <CAS Number> (42)
714971-09-2

>  <Plate Location> (42)
e6

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L1700-01

$$$$
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>  <Mol_ID> (43)
43

>  <Formula> (43)
C21H23N3O4S

>  <MolWeight> (43)
413.49002

>  <Item Name> (43)
Obatoclax mesylate (GX15-070)

>  <Catalog Number> (43)
S1057

>  <Synonyms> (43)
N/A 

>  <Target> (43)
Bcl-2 

>  <Form> (43)
Mesylate

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

>  <CAS Number> (43)
803712-79-0

>  <Plate Location> (43)
f6

>  <Rack Number> (43)
L1700-01

$$$$
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>  <Mol_ID> (44)
44

>  <Formula> (44)
C24H23FN4O3

>  <MolWeight> (44)
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>  <Item Name> (44)
Olaparib (AZD2281)

>  <Catalog Number> (44)
S1060

>  <Synonyms> (44)
KU-0059436 

>  <Target> (44)
PARP 

>  <Form> (44)
Free Base

>  <URL> (44)
http://www.selleckchem.com/products/AZD2281(Olaparib).html

>  <CAS Number> (44)
763113-22-0

>  <Plate Location> (44)
g6

>  <Rack Number> (44)
L1700-01

$$$$
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Nutlin-3

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N/A

>  <Target> (45)
Mdm2

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Free Base

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

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548472-68-0

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h6

>  <Rack Number> (45)
L1700-01

$$$$
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>  <Formula> (46)
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N/A 

>  <Target> (46)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (46)
Free Base

>  <URL> (46)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

>  <CAS Number> (46)
790299-79-5

>  <Plate Location> (46)
a7

>  <Rack Number> (46)
L1700-01

$$$$
untitled.cdx
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>  <Mol_ID> (47)
47

>  <Formula> (47)
C23H27N7O3S2

>  <MolWeight> (47)
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>  <Item Name> (47)
Pictilisib (GDC-0941)

>  <Catalog Number> (47)
S1065

>  <Synonyms> (47)
N/A

>  <Target> (47)
PI3K 

>  <Form> (47)
Free Base

>  <URL> (47)
http://www.selleckchem.com/products/GDC-0941.html

>  <CAS Number> (47)
957054-30-7

>  <Plate Location> (47)
b7

>  <Rack Number> (47)
L1700-01

$$$$
untitled.cdx
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>  <Mol_ID> (48)
48

>  <Formula> (48)
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>  <MolWeight> (48)
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>  <Item Name> (48)
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>  <Synonyms> (48)
N/A

>  <Target> (48)
TGF-beta/Smad

>  <Form> (48)
Free Base

>  <URL> (48)
http://www.selleckchem.com/products/SB-431542.html

>  <CAS Number> (48)
301836-41-9

>  <Plate Location> (48)
d7

>  <Rack Number> (48)
L1700-01

$$$$
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>  <Mol_ID> (49)
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>  <Synonyms> (49)
N/A 

>  <Target> (49)
c-Met, ALK

>  <Form> (49)
Free Base

>  <URL> (49)
http://www.selleckchem.com/products/PF-2341066.html

>  <CAS Number> (49)
877399-52-5

>  <Plate Location> (49)
e7

>  <Rack Number> (49)
L1700-01

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>  <Mol_ID> (50)
50

>  <Formula> (50)
C26H31N3O5

>  <MolWeight> (50)
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>  <Item Name> (50)
Luminespib (AUY-922, NVP-AUY922)

>  <Catalog Number> (50)
S1069

>  <Synonyms> (50)
N/A 

>  <Target> (50)
HSP

>  <Form> (50)
Free Base

>  <URL> (50)
http://www.selleckchem.com/products/NVP-AUY922.html

>  <CAS Number> (50)
747412-49-3

>  <Plate Location> (50)
f7

>  <Rack Number> (50)
L1700-01

$$$$
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>  <Mol_ID> (51)
51

>  <Formula> (51)
C19H21F2N7O2

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ZSTK474

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S1072

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N/A

>  <Target> (51)
PI3K 

>  <Form> (51)
Free Base

>  <URL> (51)
http://www.selleckchem.com/products/ZSTK474.html

>  <CAS Number> (51)
475110-96-4

>  <Plate Location> (51)
a8

>  <Rack Number> (51)
L1700-01

$$$$
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>  <Mol_ID> (52)
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S1075

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N/A

>  <Target> (52)
GSK-3 

>  <Form> (52)
Free Base

>  <URL> (52)
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>  <CAS Number> (52)
280744-09-4

>  <Plate Location> (52)
b8

>  <Rack Number> (52)
L1700-01

$$$$
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p38 MAPK 

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Free Base

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152121-30-7

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d8

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L1700-01

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Akt

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e8

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L1700-01

$$$$
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f8

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>  <Mol_ID> (57)
57

>  <Formula> (57)
C19H14Cl2N2O3S

>  <MolWeight> (57)
421.29706

>  <Item Name> (57)
Vismodegib (GDC-0449)

>  <Catalog Number> (57)
S1082

>  <Synonyms> (57)
N/A 

>  <Target> (57)
Hedgehog, P-gp

>  <Form> (57)
Free Base

>  <URL> (57)
http://www.selleckchem.com/products/GDC-0449.html

>  <CAS Number> (57)
879085-55-9

>  <Plate Location> (57)
g8

>  <Rack Number> (57)
L1700-01

$$$$
Brivanib.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C19H19FN4O3

>  <MolWeight> (58)
370.3775632

>  <Item Name> (58)
Brivanib (BMS-540215)

>  <Catalog Number> (58)
S1084

>  <Synonyms> (58)
N/A 

>  <Target> (58)
VEGFR, FGFR

>  <Form> (58)
Free Base

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

>  <CAS Number> (58)
649735-46-6

>  <Plate Location> (58)
h8

>  <Rack Number> (58)
L1700-01

$$$$
untitled.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C15H14N2O4S

>  <MolWeight> (59)
318.34766

>  <Item Name> (59)
Belinostat (PXD101)

>  <Catalog Number> (59)
S1085

>  <Synonyms> (59)
N/A 

>  <Target> (59)
HDAC 

>  <Form> (59)
Free Base

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

>  <CAS Number> (59)
414864-00-9

>  <Plate Location> (59)
a9

>  <Rack Number> (59)
L1700-01

$$$$
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csChFnd80/04011511122D

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>  <Mol_ID> (60)
60

>  <Formula> (60)
C7H5IN2O3

>  <MolWeight> (60)
292.03067

>  <Item Name> (60)
Iniparib (BSI-201)

>  <Catalog Number> (60)
S1087

>  <Synonyms> (60)
SAR240550 

>  <Target> (60)
PARP 

>  <Form> (60)
Free Base

>  <URL> (60)
http://www.selleckchem.com/products/BSI-201.html

>  <CAS Number> (60)
160003-66-7

>  <Plate Location> (60)
b9

>  <Rack Number> (60)
L1700-01

$$$$
NVP-ADW742.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (61)
61

>  <Formula> (61)
C28H31N5O

>  <MolWeight> (61)
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>  <Item Name> (61)
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S1088

>  <Synonyms> (61)
ADW742

>  <Target> (61)
IGF-1R

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/NVP-ADW742.html

>  <CAS Number> (61)
475488-23-4

>  <Plate Location> (61)
c9

>  <Rack Number> (61)
L1700-01

$$$$
untitled.cdx
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404951-53-7

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b10

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L1700-01

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HDAC 

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Free Base

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http://www.selleckchem.com/products/JNJ-26481585.html

>  <CAS Number> (67)
875320-29-9

>  <Plate Location> (67)
c10

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L1700-01

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459868-92-9

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e10

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L1700-01

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Aurora Kinase

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Free Base

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869363-13-3

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f10

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L1700-01

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ZK222584

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VEGFR, c-Kit, Flt

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Dihydrochloride

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http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

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212141-51-0

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g10

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L1700-01

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MEK 

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Ethanolat

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1173097-76-1

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h10

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L1700-01

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Aurora Kinase

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331771-20-1

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a11

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Raf

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905281-76-7

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b11

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PI3K 

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Free Base

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154447-36-6

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c11

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L1700-01

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Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

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Free Base

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827318-97-8

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e11

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L1700-01

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PLK

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Free Base

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http://www.selleckchem.com/products/BI-2536.html

>  <CAS Number> (78)
755038-02-9

>  <Plate Location> (78)
f11

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L1700-01

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S1110

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LY-333013 

>  <Target> (79)
Phospholipase

>  <Form> (79)
Free Base

>  <URL> (79)
http://www.selleckchem.com/products/LY315920(Varespladib).html

>  <CAS Number> (79)
172732-68-2

>  <Plate Location> (79)
g11

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L1700-01

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N/A 

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c-Met, VEGFR

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849217-64-7

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h11

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L1700-01

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943540-75-8

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c1

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L1700-02

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>  <Formula> (85)
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>  <MolWeight> (85)
958.22442

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>  <Catalog Number> (85)
S1120

>  <Synonyms> (85)
Certican, Zortress, Afinitor

>  <Target> (85)
mTOR

>  <Form> (85)
Free Base

>  <URL> (85)
http://www.selleckchem.com/products/Everolimus(RAD001).html

>  <CAS Number> (85)
159351-69-6

>  <Plate Location> (85)
a2

>  <Rack Number> (85)
L1700-02

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86

>  <Formula> (86)
C33H35NO6S

>  <MolWeight> (86)
573.6991

>  <Item Name> (86)
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N/A

>  <Target> (86)
Bcl-2 

>  <Form> (86)
Free Base

>  <URL> (86)
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>  <CAS Number> (86)
877877-35-5

>  <Plate Location> (86)
b2

>  <Rack Number> (86)
L1700-02

$$$$
726169-73-9.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (87)
87

>  <Formula> (87)
C23H20N6O

>  <MolWeight> (87)
396.4445

>  <Item Name> (87)
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S1122

>  <Synonyms> (87)
N/A 

>  <Target> (87)
HDAC 

>  <Form> (87)
Free Base

>  <URL> (87)
http://www.selleckchem.com/products/MGCD0103(Mocetinostat).html

>  <CAS Number> (87)
726169-73-9

>  <Plate Location> (87)
c2

>  <Rack Number> (87)
L1700-02

$$$$
SRT1720.cdx
csChFnd80/04011511122D

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1001645-58-4

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e2

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L1700-02

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csChFnd80/04011511122D

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183319-69-9

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c3

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L1700-01

$$$$
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3544-24-9

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g2

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L1700-02

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Aurora Kinase

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h2

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L1700-02

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BMS-907351 

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VEGFR, c-Met, Flt, Tie-2, c-Kit

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849217-68-1

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h1

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L1700-02

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59937-28-9 

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b3

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L1700-02

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Androgen Receptor 

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>  <URL> (95)
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>  <CAS Number> (95)
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   12.1243    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0780    6.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9717    7.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0780    7.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8656    8.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8656    9.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0780   10.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6532   10.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6532   11.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4407    9.7587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    8.3976    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
  6  7  2  0  0  0  0
  1  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 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  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 13 19  1  6  0  0  0
 16 20  1  0  0  0  0
 16 21  1  6  0  0  0
 20 22  1  6  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  1  0  0  0
 27 32  1  0  0  0  0
 27 33  1  1  0  0  0
 32 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
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 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
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 17 18  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C31H43N3O8

>  <MolWeight> (96)
585.68842

>  <Item Name> (96)
17-AAG (Tanespimycin)

>  <Catalog Number> (96)
S1141

>  <Synonyms> (96)
N/A 

>  <Target> (96)
HSP

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

>  <CAS Number> (96)
75747-14-7

>  <Plate Location> (96)
f3

>  <Rack Number> (96)
L1700-02

$$$$

csChFnd80/04011511122D

 32 35  0  0  0  0  0  0  0  0999 V2000
   15.6809   -3.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6377   -4.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4590   -5.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2219   -4.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2651   -3.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4946   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4590   -6.9032    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.0393   -3.0440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7627   -4.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8513   -5.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1596   -4.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0095   -5.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9389   -6.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0050   -7.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9194   -8.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6682   -9.6438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5025   -8.9717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5881   -7.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3979   -8.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9999   -8.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8999   -6.9845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1999   -5.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999   -8.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8999   -9.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999  -10.6219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2999   -9.4093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8999  -11.8342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999  -10.6219    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
  3  7  1  0  0  0  0
  1  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
  4 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  1  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  2  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  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
 29 31  1  0  0  0  0
 29 32  1  1  0  0  0
 25 27  1  6  0  0  0
M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C22H24FN5O4

>  <MolWeight> (97)
441.4554632

>  <Item Name> (97)
Brivanib alaninate (BMS-582664)

>  <Catalog Number> (97)
S1138 

>  <Synonyms> (97)
N/A 

>  <Target> (97)
VEGFR, FGFR

>  <Form> (97)
Alaninate

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

>  <CAS Number> (97)
649735-63-7

>  <Plate Location> (97)
c3

>  <Rack Number> (97)
L1700-02

$$$$
17-DMAG.cdx
csChFnd80/04011511122D

 45 45  0  0  0  0  0  0  0  0999 V2000
    7.5791   11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5791   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0124   11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3666   12.6049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9418   12.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7293   11.9049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3666    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3666    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5791    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5791    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7915    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3666    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3666    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7915    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0039    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5791    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0039    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2164    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4288    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2164    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4503    5.8854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4288    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6412    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6412    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8537    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8073    6.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7010    7.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3058    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8073    7.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5949    8.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5949    9.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8073   10.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3825   10.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3825   11.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1700    9.7587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5169   12.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7293   10.5049    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
  6  7  2  0  0  0  0
  1  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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 13 14  1  0  0  0  0
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 15 17  1  1  0  0  0
 13 19  1  6  0  0  0
 16 20  1  0  0  0  0
 16 21  1  6  0  0  0
 20 22  1  6  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  1  0  0  0
 27 32  1  0  0  0  0
 27 33  1  1  0  0  0
 32 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
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  3 42  2  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 17 18  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (98)
98

>  <Formula> (98)
C32H49ClN4O8

>  <MolWeight> (98)
653.20646

>  <Item Name> (98)
17-DMAG HCl (Alvespimycin)

>  <Catalog Number> (98)
S1142

>  <Synonyms> (98)
NSC 707545 

>  <Target> (98)
HSP

>  <Form> (98)
Hydrochloride

>  <URL> (98)
http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

>  <CAS Number> (98)
467214-21-7

>  <Plate Location> (98)
g3

>  <Rack Number> (98)
L1700-02

$$$$
AG-490.cdx
csChFnd80/04011511122D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3903    0.0000 C   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
    2.4207    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    0.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    3.4903    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  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  3  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <Mol_ID> (99)
99

>  <Formula> (99)
C17H14N2O3

>  <MolWeight> (99)
294.30466

>  <Item Name> (99)
AG-490

>  <Catalog Number> (99)
S1143

>  <Synonyms> (99)
N/A

>  <Target> (99)
JAK, EGFR

>  <Form> (99)
Free Base

>  <URL> (99)
http://www.selleckchem.com/products/AG-490.html

>  <CAS Number> (99)
133550-30-8 

>  <Plate Location> (99)
h3

>  <Rack Number> (99)
L1700-02

$$$$
VX770.cdx
csChFnd80/04011511122D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    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
    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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114977-28-5

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d4

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L1700-02

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csChFnd80/04011511122D

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33069-62-4

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e4

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L1700-02

$$$$
untitled.cdx
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L1700-02

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (106)
106

>  <Formula> (106)
C19H26N6O

>  <MolWeight> (106)
354.44934

>  <Item Name> (106)
Roscovitine (Seliciclib, CYC202) 

>  <Catalog Number> (106)
S1153

>  <Synonyms> (106)
N/A 

>  <Target> (106)
CDK 

>  <Form> (106)
Free Base

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

>  <CAS Number> (106)
186692-46-6 

>  <Plate Location> (106)
g4

>  <Rack Number> (106)
L1700-02

$$$$
SNS-314 Mesylate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (107)
107

>  <Formula> (107)
C19H19ClN6O4S3

>  <MolWeight> (107)
527.03996

>  <Item Name> (107)
SNS-314 Mesylate

>  <Catalog Number> (107)
S1154

>  <Synonyms> (107)
N/A

>  <Target> (107)
Aurora Kinase

>  <Form> (107)
Mesylate

>  <URL> (107)
http://www.selleckchem.com/products/SNS-314.html

>  <CAS Number> (107)
1146618-41-8

>  <Plate Location> (107)
h4

>  <Rack Number> (107)
L1700-02

$$$$
S31-201.cdx
csChFnd80/04011511122D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C16H15NO7S

>  <MolWeight> (108)
365.3578

>  <Item Name> (108)
NSC 74859 (S3I-201)

>  <Catalog Number> (108)
S1155

>  <Synonyms> (108)
N/A 

>  <Target> (108)
STAT

>  <Form> (108)
Free Base

>  <URL> (108)
http://www.selleckchem.com/products/S31-201.html

>  <CAS Number> (108)
501919-59-1

>  <Plate Location> (108)
a5

>  <Rack Number> (108)
L1700-02

$$$$
Capecitabine.cdx
csChFnd80/04011511122D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C15H22FN3O6

>  <MolWeight> (109)
359.3500832

>  <Item Name> (109)
Capecitabine (Xeloda)

>  <Catalog Number> (109)
S1156

>  <Synonyms> (109)
Captabin 

>  <Target> (109)
DNA/RNA Synthesis

>  <Form> (109)
Free Base

>  <URL> (109)
http://www.selleckchem.com/products/Capecitabine(Xeloda).html

>  <CAS Number> (109)
154361-50-9

>  <Plate Location> (109)
b5

>  <Rack Number> (109)
L1700-02

$$$$
abt-751.cdx
csChFnd80/04011511122D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C18H17N3O4S

>  <MolWeight> (110)
371.41028

>  <Item Name> (110)
ABT-751

>  <Catalog Number> (110)
S1165

>  <Synonyms> (110)
N/A

>  <Target> (110)
Microtubule Associated

>  <Form> (110)
Free Base

>  <URL> (110)
http://www.selleckchem.com/products/ABT-751.html

>  <CAS Number> (110)
141430-65-1

>  <Plate Location> (110)
a6

>  <Rack Number> (110)
L1700-02

$$$$
Cisplatin.cdx
csChFnd80/04011511122D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.4000    1.4000    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 N   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  0  0  0  0
M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
Cl2H4N2Pt

>  <MolWeight> (111)
298.02916

>  <Item Name> (111)
Cisplatin

>  <Catalog Number> (111)
S1166

>  <Synonyms> (111)
cisplatinum, CDDP, Platinol and Platinol-AQ 

>  <Target> (111)
DNA/RNA Synthesis

>  <Form> (111)
Free Base

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

>  <CAS Number> (111)
15663-27-1

>  <Plate Location> (111)
b6

>  <Rack Number> (111)
L1700-02

$$$$
CP-724,714.cdx
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EGFR, HER2

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537705-08-1

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c6

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L1700-02

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TGX-221.cdx
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113

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PI3K

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Free Base

>  <URL> (113)
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>  <CAS Number> (113)
663619-89-4

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e6

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L1700-02

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WZ3146.cdx
csChFnd80/04011511122D

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EGFR

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Free Base

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1214265-56-1

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f6

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cyc116.cdx
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Aurora Kinase, VEGFR

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>  <CAS Number> (115)
693228-63-6

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g6

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L1700-02

$$$$
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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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f7

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L1700-02

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Wnt/beta-catenin

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284028-89-3

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g7

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L1700-02

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Flt, Aurora Kinase, VEGFR

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Tartaric Acid 

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1291074-87-7

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h7

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L1700-02

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 11  8  1  0  0  0  0
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 30 33  2  0  0  0  0
  1 34  1  6  0  0  0
 34 35  1  0  0  0  0
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 39 40  1  0  0  0  0
 40 36  1  0  0  0  0
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M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C35H46FN5O9S

>  <MolWeight> (124)
731.8312432

>  <Item Name> (124)
Danoprevir

>  <Catalog Number> (124)
S1183

>  <Synonyms> (124)
RG7227, ITMN-191, RO5190591

>  <Target> (124)
Proteasome, HCV Protease

>  <Form> (124)
Free Base

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

>  <CAS Number> (124)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

>  <Plate Location> (124)
a8

>  <Rack Number> (124)
L1700-02

$$$$
Ritonavir.cdx
csChFnd80/04011511122D

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 38 40  2  0  0  0  0
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 39 42  1  0  0  0  0
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 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C37H48N6O5S2

>  <MolWeight> (125)
720.94422

>  <Item Name> (125)
Ritonavir

>  <Catalog Number> (125)
S1185

>  <Synonyms> (125)
Norvir, Norvir Softgel

>  <Target> (125)
HIV Protease

>  <Form> (125)
Free Base

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

>  <CAS Number> (125)
155213-67-5

>  <Plate Location> (125)
b8

>  <Rack Number> (125)
L1700-02

$$$$
Ostarine(MK-2866).cdx
csChFnd80/04011511122D

 28 29  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
    8.4870    1.4000    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
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   10.9119    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    0.1876    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 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
  1  5  1  0  0  0  0
  2  6  1  6  0  0  0
  2  7  1  1  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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 18 19  3  0  0  0  0
 11 18  1  0  0  0  0
  5  8  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
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M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C19H14F3N3O3

>  <MolWeight> (126)
389.3279696

>  <Item Name> (126)
Ostarine (MK-2866)

>  <Catalog Number> (126)
S1174

>  <Synonyms> (126)
GTx-024, MK-2866

>  <Target> (126)
Androgen Receptor

>  <Form> (126)
Free Base

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

>  <CAS Number> (126)
841205-47-8

>  <Plate Location> (126)
b7

>  <Rack Number> (126)
L1700-02

$$$$
BIBR1532.cdx
csChFnd80/04011511122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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   13.3368    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  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
 11 13  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
 15 17  1  0  0  0  0
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 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C21H17NO3

>  <MolWeight> (127)
331.36458

>  <Item Name> (127)
BIBR1532

>  <Catalog Number> (127)
S1186

>  <Synonyms> (127)
N/A

>  <Target> (127)
Telomerase

>  <Form> (127)
Free Base

>  <URL> (127)
http://www.selleckchem.com/products/BIBR1532.html

>  <CAS Number> (127)
321674-73-1

>  <Plate Location> (127)
c8

>  <Rack Number> (127)
L1700-02

$$$$
Anastrozole.cdx
csChFnd80/04011511122D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (128)
128

>  <Formula> (128)
C17H19N5

>  <MolWeight> (128)
293.36626

>  <Item Name> (128)
Anastrozole

>  <Catalog Number> (128)
S1188

>  <Synonyms> (128)
Arimidex 

>  <Target> (128)
Aromatase

>  <Form> (128)
Free Base

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

>  <CAS Number> (128)
120511-73-1

>  <Plate Location> (128)
d8

>  <Rack Number> (128)
L1700-02

$$$$
Aprepitant.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (129)
129

>  <Formula> (129)
C23H21F7N4O3

>  <MolWeight> (129)
534.4266624

>  <Item Name> (129)
Aprepitant (MK-0869)

>  <Catalog Number> (129)
S1189

>  <Synonyms> (129)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (129)
Substance P

>  <Form> (129)
Free Base

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

>  <CAS Number> (129)
170729-80-3

>  <Plate Location> (129)
e8

>  <Rack Number> (129)
L1700-02

$$$$
bicalutamide.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (130)
130

>  <Formula> (130)
C18H14F4N2O4S

>  <MolWeight> (130)
430.3733728

>  <Item Name> (130)
Bicalutamide (Casodex)

>  <Catalog Number> (130)
S1190

>  <Synonyms> (130)
N/A 

>  <Target> (130)
Androgen Receptor, P450

>  <Form> (130)
Free Base

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

>  <CAS Number> (130)
90357-06-5

>  <Plate Location> (130)
f8

>  <Rack Number> (130)
L1700-02

$$$$
Fulvestrant.cdx
csChFnd80/04011511122D

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S1191

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N/A 

>  <Target> (131)
Estrogen/progestogen Receptor

>  <Form> (131)
Free Base

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

>  <CAS Number> (131)
129453-61-8

>  <Plate Location> (131)
g8

>  <Rack Number> (131)
L1700-02

$$$$
Raltitrexed.cdx
csChFnd80/04011511122D

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132

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458.48758

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Raltitrexed (Tomudex)

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S1192 

>  <Synonyms> (132)
N/A 

>  <Target> (132)
DNA/RNA Synthesis

>  <Form> (132)
Free Base

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

>  <CAS Number> (132)
112887-68-0

>  <Plate Location> (132)
h8

>  <Rack Number> (132)
L1700-02

$$$$
S119401 CUDC-101.cdx
csChFnd80/04011511122D

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N/A

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HDAC, EGFR, HER2

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Free Base

>  <URL> (133)
http://www.selleckchem.com/products/CUDC-101.html

>  <CAS Number> (133)
1012054-59-9

>  <Plate Location> (133)
b9

>  <Rack Number> (133)
L1700-02

$$$$
Exemestane.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (134)
134

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S1196

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Aromasin

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Aromatase

>  <Form> (134)
Free Base

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

>  <CAS Number> (134)
107868-30-4

>  <Plate Location> (134)
d9

>  <Rack Number> (134)
L1700-02

$$$$
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M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C33H38N4O6

>  <MolWeight> (135)
586.67802

>  <Item Name> (135)
Irinotecan

>  <Catalog Number> (135)
S1198

>  <Synonyms> (135)
Camptosar, Campto 

>  <Target> (135)
Topoisomerase

>  <Form> (135)
Free Base

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

>  <CAS Number> (135)
97682-44-5

>  <Plate Location> (135)
f9

>  <Rack Number> (135)
L1700-02

$$$$
Cladribine.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (136)
136

>  <Formula> (136)
C10H12ClN5O3

>  <MolWeight> (136)
285.68698

>  <Item Name> (136)
Cladribine

>  <Catalog Number> (136)
S1199

>  <Synonyms> (136)
Leustatin

>  <Target> (136)
DNA/RNA Synthesis

>  <Form> (136)
Free Base

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

>  <CAS Number> (136)
4291-63-8

>  <Plate Location> (136)
g9

>  <Rack Number> (136)
L1700-02

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/04011511122D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (137)
137

>  <Formula> (137)
C8H12N4O4

>  <MolWeight> (137)
228.20528

>  <Item Name> (137)
Decitabine

>  <Catalog Number> (137)
S1200

>  <Synonyms> (137)
Dacogen

>  <Target> (137)
DNA/RNA Synthesis

>  <Form> (137)
Free Base

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

>  <CAS Number> (137)
2353-33-5

>  <Plate Location> (137)
h9

>  <Rack Number> (137)
L1700-02

$$$$
Dutasteride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (138)
138

>  <Formula> (138)
C27H30F6N2O2

>  <MolWeight> (138)
528.5297192

>  <Item Name> (138)
Dutasteride

>  <Catalog Number> (138)
S1202

>  <Synonyms> (138)
Avodart

>  <Target> (138)
5-alpha Reductase

>  <Form> (138)
Free Base

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

>  <CAS Number> (138)
164656-23-9

>  <Plate Location> (138)
b10

>  <Rack Number> (138)
L1700-02

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/04011511122D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C16H15BrClN5O4S

>  <MolWeight> (139)
488.7434

>  <Item Name> (139)
PIK-75 

>  <Catalog Number> (139)
S1205

>  <Synonyms> (139)
N/A

>  <Target> (139)
PI3K, DNA-PK

>  <Form> (139)
Hydrochloride

>  <URL> (139)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

>  <CAS Number> (139)
372196-77-5

>  <Plate Location> (139)
d10

>  <Rack Number> (139)
L1700-02

$$$$
AV-951.cdx
csChFnd80/04011511122D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C22H19ClN4O5

>  <MolWeight> (140)
454.86306

>  <Item Name> (140)
Tivozanib (AV-951)

>  <Catalog Number> (140)
S1207

>  <Synonyms> (140)
N/A 

>  <Target> (140)
VEGFR, c-Kit, PDGFR

>  <Form> (140)
Free Base

>  <URL> (140)
http://www.selleckchem.com/products/AV-951.html

>  <CAS Number> (140)
475108-18-0

>  <Plate Location> (140)
f10

>  <Rack Number> (140)
L1700-02

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C27H30ClNO11

>  <MolWeight> (141)
579.9802

>  <Item Name> (141)
Doxorubicin (Adriamycin)

>  <Catalog Number> (141)
S1208

>  <Synonyms> (141)
N/A 

>  <Target> (141)
Topoisomerase

>  <Form> (141)
Hydrochloride

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

>  <CAS Number> (141)
25316-40-9

>  <Plate Location> (141)
g10

>  <Rack Number> (141)
L1700-02

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/04011511122D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C4H3FN2O2

>  <MolWeight> (142)
130.0772232

>  <Item Name> (142)
Adrucil (Fluorouracil)

>  <Catalog Number> (142)
S1209

>  <Synonyms> (142)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (142)
DNA/RNA Synthesis

>  <Form> (142)
Free Base

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

>  <CAS Number> (142)
51-21-8

>  <Plate Location> (142)
h10

>  <Rack Number> (142)
L1700-02

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/04011511122D

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 29 32  2  0  0  0  0
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M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C20H22N8O5

>  <MolWeight> (143)
454.43928

>  <Item Name> (143)
Abitrexate (Methotrexate)

>  <Catalog Number> (143)
S1210

>  <Synonyms> (143)
Methotrexate, Rheumatrex, Trexall

>  <Target> (143)
DHFR

>  <Form> (143)
Free Base

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

>  <CAS Number> (143)
59-05-2

>  <Plate Location> (143)
a11

>  <Rack Number> (143)
L1700-02

$$$$
Bendamustine Hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (144)
144

>  <Formula> (144)
C16H22Cl3N3O2

>  <MolWeight> (144)
394.72378

>  <Item Name> (144)
Bendamustine HCL 

>  <Catalog Number> (144)
S1212

>  <Synonyms> (144)
Ribomustin, Treanda, SDX-105

>  <Target> (144)
Others

>  <Form> (144)
Hydrochloride

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

>  <CAS Number> (144)
3543-75-7

>  <Plate Location> (144)
b11

>  <Rack Number> (144)
L1700-02

$$$$
Arranon (Nelarabine).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (145)
145

>  <Formula> (145)
C11H15N5O5

>  <MolWeight> (145)
297.2673

>  <Item Name> (145)
Nelarabine (Arranon)

>  <Catalog Number> (145)
S1213

>  <Synonyms> (145)
Arranon

>  <Target> (145)
DNA/RNA Synthesis 

>  <Form> (145)
Free Base

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

>  <CAS Number> (145)
121032-29-9

>  <Plate Location> (145)
c11

>  <Rack Number> (145)
L1700-02

$$$$
Bleomycin sulfate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (146)
146

>  <Formula> (146)
C55H85N17O25S4

>  <MolWeight> (146)
1512.6223

>  <Item Name> (146)
Bleomycin sulfate

>  <Catalog Number> (146)
S1214

>  <Synonyms> (146)
Blenoxane

>  <Target> (146)
DNA/RNA Synthesis

>  <Form> (146)
Sulfate

>  <URL> (146)
http://www.selleckchem.com/products/Bleomycin-sulfate.html

>  <CAS Number> (146)
9041-93-4

>  <Plate Location> (146)
d11

>  <Rack Number> (146)
L1700-02

$$$$
Clofarabine.cdx
csChFnd80/04011511122D

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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C10H11ClFN5O3

>  <MolWeight> (147)
303.6774432

>  <Item Name> (147)
Clofarabine

>  <Catalog Number> (147)
S1218

>  <Synonyms> (147)
Clolar, Evoltra

>  <Target> (147)
DNA/RNA Synthesis

>  <Form> (147)
Free Base

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

>  <CAS Number> (147)
123318-82-1

>  <Plate Location> (147)
f11

>  <Rack Number> (147)
L1700-02

$$$$
OSI-930.cdx
csChFnd80/04011511122D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (148)
148

>  <Formula> (148)
C22H16F3N3O2S

>  <MolWeight> (148)
443.4415496

>  <Item Name> (148)
OSI-930

>  <Catalog Number> (148)
S1220

>  <Synonyms> (148)
N/A

>  <Target> (148)
c-Kit, VEGFR

>  <Form> (148)
Free Base

>  <URL> (148)
http://www.selleckchem.com/products/OSI-930.html

>  <CAS Number> (148)
728033-96-3

>  <Plate Location> (148)
h11

>  <Rack Number> (148)
L1700-02

$$$$
Dexrazoxane Hydrochloride.cdx
csChFnd80/04011511122D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (149)
149

>  <Formula> (149)
C11H17ClN4O4

>  <MolWeight> (149)
304.73008

>  <Item Name> (149)
Dexrazoxane Hydrochloride

>  <Catalog Number> (149)
S1222

>  <Synonyms> (149)
Totect, ICRF-187, Zinecard, Cardioxane

>  <Target> (149)
Others

>  <Form> (149)
Hydrochloride

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

>  <CAS Number> (149)
149003-01-0

>  <Plate Location> (149)
b1

>  <Rack Number> (149)
L1700-03

$$$$
Ellence (Epirubicin Hydrochloride).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C27H30ClNO11

>  <MolWeight> (150)
579.9802

>  <Item Name> (150)
Epirubicin Hydrochloride

>  <Catalog Number> (150)
S1223

>  <Synonyms> (150)
Ellence, Pharmorubicin, Epirubicin Ebewe

>  <Target> (150)
Topoisomerase 

>  <Form> (150)
Hydrochloride

>  <URL> (150)
http://www.selleckchem.com/products/Ellence.html

>  <CAS Number> (150)
56390-09-1

>  <Plate Location> (150)
c1

>  <Rack Number> (150)
L1700-03

$$$$
Eloxatin (Oxaliplatin).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (151)
151

>  <Formula> (151)
C8H14N2O4Pt

>  <MolWeight> (151)
397.28576

>  <Item Name> (151)
Oxaliplatin (Eloxatin)

>  <Catalog Number> (151)
S1224

>  <Synonyms> (151)
Eloxatin

>  <Target> (151)
DNA/RNA Synthesis 

>  <Form> (151)
Free Base

>  <URL> (151)
http://www.selleckchem.com/products/Eloxatin.html

>  <CAS Number> (151)
61825-94-3

>  <Plate Location> (151)
d1

>  <Rack Number> (151)
L1700-03

$$$$
Etoposide.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (152)
152

>  <Formula> (152)
C29H32O13

>  <MolWeight> (152)
588.55658

>  <Item Name> (152)
Etoposide (VP-16)
Etoposide

>  <Catalog Number> (152)
S1225

>  <Synonyms> (152)
Vepesid 

>  <Target> (152)
Topoisomerase

>  <Form> (152)
Free Base

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

>  <CAS Number> (152)
33419-42-0

>  <Plate Location> (152)
e1

>  <Rack Number> (152)
L1700-03

$$$$
KU-0063794.cdx
csChFnd80/04011511122D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (153)
153

>  <Formula> (153)
C25H31N5O4

>  <MolWeight> (153)
465.54474

>  <Item Name> (153)
Ku-0063794

>  <Catalog Number> (153)
S1226

>  <Synonyms> (153)
N/A

>  <Target> (153)
mTOR 

>  <Form> (153)
Free Base

>  <URL> (153)
http://www.selleckchem.com/products/KU-0063794.html

>  <CAS Number> (153)
938440-64-3

>  <Plate Location> (153)
f1

>  <Rack Number> (153)
L1700-03

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/04011511122D

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>  <Mol_ID> (154)
154

>  <Formula> (154)
C28H28ClNO4S

>  <MolWeight> (154)
510.04422

>  <Item Name> (154)
Evista (Raloxifene Hydrochloride)

>  <Catalog Number> (154)
S1227

>  <Synonyms> (154)
Raloxifene Hydrochloride, keoxifene

>  <Target> (154)
Estrogen/progestogen Receptor

>  <Form> (154)
Hydrochloride

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

>  <CAS Number> (154)
82640-04-8

>  <Plate Location> (154)
g1

>  <Rack Number> (154)
L1700-03

$$$$
Idarubicin Hydrochloride.cdx
csChFnd80/04011511122D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (155)
155

>  <Formula> (155)
C26H28ClNO9

>  <MolWeight> (155)
533.95482

>  <Item Name> (155)
Idarubicin HCl

>  <Catalog Number> (155)
S1228

>  <Synonyms> (155)
Idamycin, Zavedos, 4-demethoxydaunorubicin 

>  <Target> (155)
Topoisomerase

>  <Form> (155)
Hydrochloride

>  <URL> (155)
http://www.selleckchem.com/products/Idarubicin.html

>  <CAS Number> (155)
57852-57-0

>  <Plate Location> (155)
h1

>  <Rack Number> (155)
L1700-03

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/04011511122D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C10H13FN5O7P

>  <MolWeight> (156)
365.2116842

>  <Item Name> (156)
Fludarabine Phosphate (Fludara)

>  <Catalog Number> (156)
S1229

>  <Synonyms> (156)
N/A 

>  <Target> (156)
DNA/RNA Synthesis

>  <Form> (156)
Phosphate

>  <URL> (156)
http://www.selleckchem.com/products/Fludara.html

>  <CAS Number> (156)
75607-67-9

>  <Plate Location> (156)
a2

>  <Rack Number> (156)
L1700-03

$$$$
Topotecan.cdx
csChFnd80/04011511122D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 29 30  1  0  0  0  0
 24 31  1  1  0  0  0
M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C23H24ClN3O5

>  <MolWeight> (157)
457.90676

>  <Item Name> (157)
Topotecan HCl

>  <Catalog Number> (157)
S1231

>  <Synonyms> (157)
Hycamtin, NSC 609699

>  <Target> (157)
Topoisomerase 

>  <Form> (157)
Hydrochloride

>  <URL> (157)
http://www.selleckchem.com/products/Topotecan-Hydrochloride.html

>  <CAS Number> (157)
119413-54-6

>  <Plate Location> (157)
b2

>  <Rack Number> (157)
L1700-03

$$$$
2-Methoxyestradiol.cdx
csChFnd80/04011511122D

 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> (158)
158

>  <Formula> (158)
C19H26O3

>  <MolWeight> (158)
302.40794

>  <Item Name> (158)
2-Methoxyestradiol

>  <Catalog Number> (158)
S1233

>  <Synonyms> (158)
2-ME2

>  <Target> (158)
HIF

>  <Form> (158)
Free Base

>  <URL> (158)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (158)
362-07-2

>  <Plate Location> (158)
c2

>  <Rack Number> (158)
L1700-03

$$$$
Letrozole.cdx
csChFnd80/04011511122D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.2115    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (159)
159

>  <Formula> (159)
C17H11N5

>  <MolWeight> (159)
285.30274

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Letrozole

>  <Catalog Number> (159)
S1235

>  <Synonyms> (159)
Femara, Piroxicam 

>  <Target> (159)
Aromatase 

>  <Form> (159)
Free Base

>  <URL> (159)
http://www.selleckchem.com/products/Letrozole.html

>  <CAS Number> (159)
112809-51-5

>  <Plate Location> (159)
e2

>  <Rack Number> (159)
L1700-03

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C6H6N6O2

>  <MolWeight> (160)
194.15084

>  <Item Name> (160)
Temozolomide

>  <Catalog Number> (160)
S1237

>  <Synonyms> (160)
Methazolastone, Temodar, Temodal

>  <Target> (160)
Others

>  <Form> (160)
Free Base

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

>  <CAS Number> (160)
85622-93-1

>  <Plate Location> (160)
f2

>  <Rack Number> (160)
L1700-03

$$$$
Agomelatine.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C15H17NO2

>  <MolWeight> (161)
243.30098

>  <Item Name> (161)
Agomelatine

>  <Catalog Number> (161)
S1243

>  <Synonyms> (161)
Valdoxan, Melitor, Thymanax

>  <Target> (161)
5-HT Receptor

>  <Form> (161)
Free Base

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

>  <CAS Number> (161)
138112-76-2

>  <Plate Location> (161)
h2

>  <Rack Number> (161)
L1700-03

$$$$
MP-470.cdx
csChFnd80/04011511122D

 32 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (162)
162

>  <Formula> (162)
C23H21N5O3S

>  <MolWeight> (162)
447.50954

>  <Item Name> (162)
Amuvatinib (MP-470)

>  <Catalog Number> (162)
S1244

>  <Synonyms> (162)
N/A 

>  <Target> (162)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (162)
Free Base

>  <URL> (162)
http://www.selleckchem.com/products/MP-470.html

>  <CAS Number> (162)
850879-09-3

>  <Plate Location> (162)
a3

>  <Rack Number> (162)
L1700-03

$$$$
leflunomide.cdx
csChFnd80/04011511122D

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163

>  <Formula> (163)
C12H9F3N2O2

>  <MolWeight> (163)
270.2072696

>  <Item Name> (163)
Leflunomide

>  <Catalog Number> (163)
S1247

>  <Synonyms> (163)
Arava

>  <Target> (163)
Others

>  <Form> (163)
Free Base

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

>  <CAS Number> (163)
75706-12-6

>  <Plate Location> (163)
b3

>  <Rack Number> (163)
L1700-03

$$$$
JNJ-7706621.cdx
csChFnd80/04011511122D

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CDK, Aurora Kinase

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443797-96-4

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d3

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L1700-03

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L1700-03

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csChFnd80/04011511122D

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>  <Mol_ID> (166)
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Estrogen/progestogen Receptor

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65928-58-7

>  <Plate Location> (166)
f3

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L1700-03

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nepafenac.cdx
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78281-72-8

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h3

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L1700-03

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>  <Mol_ID> (168)
168

>  <Formula> (168)
C37H42F2N8O4

>  <MolWeight> (168)
700.7773864

>  <Item Name> (168)
Posaconazole

>  <Catalog Number> (168)
S1257

>  <Synonyms> (168)
Noxafil

>  <Target> (168)
Others

>  <Form> (168)
Free Base

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

>  <CAS Number> (168)
171228-49-2

>  <Plate Location> (168)
b4

>  <Rack Number> (168)
L1700-03

$$$$
prasugrel.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C20H20FNO3S

>  <MolWeight> (169)
373.4411032

>  <Item Name> (169)
Prasugrel (Effient)

>  <Catalog Number> (169)
S1258

>  <Synonyms> (169)
Effient, Efient, Prasita

>  <Target> (169)
P2 Receptor

>  <Form> (169)
Free Base

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

>  <CAS Number> (169)
150322-43-3

>  <Plate Location> (169)
c4

>  <Rack Number> (169)
L1700-03

$$$$
Ramelteon.cdx
csChFnd80/04011511122D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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 12  3  1  0  0  0  0
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M  END
>  <Mol_ID> (170)
170

>  <Formula> (170)
C16H21NO2

>  <MolWeight> (170)
259.34344

>  <Item Name> (170)
Ramelteon (TAK-375)

>  <Catalog Number> (170)
S1259

>  <Synonyms> (170)
Rozerem, TAK-375

>  <Target> (170)
Others

>  <Form> (170)
Free Base

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

>  <CAS Number> (170)
196597-26-9

>  <Plate Location> (170)
d4

>  <Rack Number> (170)
L1700-03

$$$$
s4261.cdx
csChFnd80/04011511122D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (171)
171

>  <Formula> (171)
C18H18ClMnN2O4

>  <MolWeight> (171)
416.737569

>  <Item Name> (171)
EUK 134

>  <Catalog Number> (171)
S4261

>  <Synonyms> (171)
N/A

>  <Target> (171)
Beta Amyloid

>  <Form> (171)
Free Base

>  <URL> (171)
http://www.selleckchem.com/products/euk-134.html

>  <CAS Number> (171)
81065-76-1

>  <Plate Location> (171)
f7

>  <Rack Number> (171)
L1700-18

$$$$
Cinacalcet Hydrochloride.cdx
csChFnd80/04011511122D

 28 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (172)
172

>  <Formula> (172)
C22H23ClF3N

>  <MolWeight> (172)
393.8729296

>  <Item Name> (172)
AMG-073 HCl (Cinacalcet hydrochloride)

>  <Catalog Number> (172)
S1260

>  <Synonyms> (172)
Mimpara, Sensipar

>  <Target> (172)
CaSR

>  <Form> (172)
Hydrochloride

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

>  <CAS Number> (172)
364782-34-3

>  <Plate Location> (172)
e4

>  <Rack Number> (172)
L1700-03

$$$$
Celecoxib.cdx
csChFnd80/04011511122D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (173)
173

>  <Formula> (173)
C17H14F3N3O2S

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Celecoxib

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S1261

>  <Synonyms> (173)
Celebrex, Celebra 

>  <Target> (173)
COX

>  <Form> (173)
Free Base

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

>  <CAS Number> (173)
169590-42-5

>  <Plate Location> (173)
f4

>  <Rack Number> (173)
L1700-03

$$$$
BMS-708163.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (174)
174

>  <Formula> (174)
C20H17ClF4N4O4S

>  <MolWeight> (174)
520.8849928

>  <Item Name> (174)
BMS-708163 (Avagacestat)

>  <Catalog Number> (174)
S1262

>  <Synonyms> (174)
N/A 

>  <Target> (174)
Gamma-secretase

>  <Form> (174)
Free Base

>  <URL> (174)
http://www.selleckchem.com/products/BMS-708163.html

>  <CAS Number> (174)
1146699-66-2

>  <Plate Location> (174)
g4

>  <Rack Number> (174)
L1700-03

$$$$
PD173074.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (175)
175

>  <Formula> (175)
C28H41N7O3

>  <MolWeight> (175)
523.67024

>  <Item Name> (175)
PD173074

>  <Catalog Number> (175)
S1264

>  <Synonyms> (175)
N/A

>  <Target> (175)
FGFR, VEGFR

>  <Form> (175)
Free Base

>  <URL> (175)
http://www.selleckchem.com/products/PD-173074.html

>  <CAS Number> (175)
219580-11-7

>  <Plate Location> (175)
h4

>  <Rack Number> (175)
L1700-03

$$$$
WYE-354.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (176)
176

>  <Formula> (176)
C24H29N7O5

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WYE-354

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S1266

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N/A

>  <Target> (176)
mTOR 

>  <Form> (176)
Free Base

>  <URL> (176)
http://www.selleckchem.com/products/WYE-354.html

>  <CAS Number> (176)
1062169-56-5

>  <Plate Location> (176)
a5

>  <Rack Number> (176)
L1700-03

$$$$
PLX-4032.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (177)
177

>  <Formula> (177)
C23H18ClF2N3O3S

>  <MolWeight> (177)
489.9221264

>  <Item Name> (177)
Vemurafenib (PLX4032)

>  <Catalog Number> (177)
S1267

>  <Synonyms> (177)
RG7204 

>  <Target> (177)
Raf 

>  <Form> (177)
Free Base

>  <URL> (177)
http://www.selleckchem.com/products/PLX-4032.html

>  <CAS Number> (177)
918504-65-1

>  <Plate Location> (177)
b5

>  <Rack Number> (177)
L1700-03

$$$$
Adapalene.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (178)
178

>  <Formula> (178)
C28H28O3

>  <MolWeight> (178)
412.52012

>  <Item Name> (178)
Adapalene

>  <Catalog Number> (178)
S1276

>  <Synonyms> (178)
Differin

>  <Target> (178)
Others

>  <Form> (178)
Free Base

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

>  <CAS Number> (178)
106685-40-9

>  <Plate Location> (178)
f5

>  <Rack Number> (178)
L1700-03

$$$$
Altretamine.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (179)
179

>  <Formula> (179)
C9H18N6

>  <MolWeight> (179)
210.27942

>  <Item Name> (179)
Altretamine (Hexalen)

>  <Catalog Number> (179)
S1278

>  <Synonyms> (179)
Hexalen

>  <Target> (179)
Others

>  <Form> (179)
Free Base

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

>  <CAS Number> (179)
645-05-6

>  <Plate Location> (179)
g5

>  <Rack Number> (179)
L1700-03

$$$$
Amisulpride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (180)
180

>  <Formula> (180)
C17H27N3O4S

>  <MolWeight> (180)
369.47898

>  <Item Name> (180)
Amisulpride

>  <Catalog Number> (180)
S1280

>  <Synonyms> (180)
Solian

>  <Target> (180)
Dopamine Receptor

>  <Form> (180)
Free Base

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

>  <CAS Number> (180)
71675-85-9

>  <Plate Location> (180)
h5

>  <Rack Number> (180)
L1700-03

$$$$
Aniracetam.cdx
csChFnd80/04011511122D

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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
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  8  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C12H13NO3

>  <MolWeight> (181)
219.23652

>  <Item Name> (181)
Aniracetam

>  <Catalog Number> (181)
S1281

>  <Synonyms> (181)
Draganon, Sarpul, Ampamet

>  <Target> (181)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (181)
Free Base

>  <URL> (181)
http://www.selleckchem.com/products/Aniracetam.html

>  <CAS Number> (181)
72432-10-1

>  <Plate Location> (181)
a6

>  <Rack Number> (181)
L1700-03

$$$$
Asenapine maleate.cdx
csChFnd80/04011511122D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.7046    8.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    6.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1736    5.8046    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5726    5.8046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4858    6.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2255    8.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9878    8.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    9.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    8.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    6.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871    6.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8281    7.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5678    8.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2665    9.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7413    4.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731    3.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049    4.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8213    5.4423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9249    5.4423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731    2.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1464    6.9252    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.6004    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6004    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8129    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3880    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3880    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6004    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6004    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8129    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  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  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
  3 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
  3 19  1  1  0  0  0
  4 20  1  6  0  0  0
 17 21  1  0  0  0  0
 13 22  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C21H20ClNO5

>  <MolWeight> (182)
401.8402

>  <Item Name> (182)
Asenapine

>  <Catalog Number> (182)
S1283

>  <Synonyms> (182)
Saphris

>  <Target> (182)
Adrenergic Receptor, 5-HT Receptor

>  <Form> (182)
Maleate

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

>  <CAS Number> (182)
65576-45-6, 135883-08-8 (Maleic acid)

>  <Plate Location> (182)
c6

>  <Rack Number> (182)
L1700-03

$$$$
Benazepril hydrochloride.cdx
csChFnd80/04011511122D

 32 33  0  0  0  0  0  0  0  0999 V2000
    3.2370    3.6864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    3.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.7810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1983    6.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    6.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    6.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    7.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8746    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.7087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6269    2.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8700    4.4705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8189    5.4932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4566    6.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4431    7.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7954    7.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0078    8.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1090    7.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1731    5.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1410    6.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4951    5.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8826    4.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2415    4.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2127    5.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8252    6.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4663    6.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2909    1.8457    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  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
  1 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
  2 16  2  0  0  0  0
  3 17  1  6  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
 19 23  2  0  0  0  0
 18 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C24H29ClN2O5

>  <MolWeight> (183)
460.95046

>  <Item Name> (183)
Benazepril hydrochloride

>  <Catalog Number> (183)
S1284

>  <Synonyms> (183)
Lotensin

>  <Target> (183)
RAAS

>  <Form> (183)
Hydrochloride

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

>  <CAS Number> (183)
86541-74-4

>  <Plate Location> (183)
d6

>  <Rack Number> (183)
L1700-03

$$$$
Biperiden hydrochloride.cdx
csChFnd80/04011511122D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.2355    7.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2355    5.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4479    5.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6604    5.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6604    7.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4479    7.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5208    3.8257    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6561    3.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6771    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9896    2.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6771    1.0605    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.1938    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3248    1.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    3.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688    2.0271    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5208    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9118    3.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0662    2.8798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9646    1.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1230    0.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3831    1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4847    2.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3263    3.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3659    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
  3  7  1  0  0  0  0
  7  8  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
 12 13  1  0  0  0  0
 13 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 12 14  1  0  0  0  0
 15  7  1  0  0  0  0
  7 16  1  0  0  0  0
  8 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
M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C21H30ClNO

>  <MolWeight> (184)
347.922

>  <Item Name> (184)
Biperiden hydrochloride

>  <Catalog Number> (184)
S1285

>  <Synonyms> (184)
Akineton

>  <Target> (184)
AChR

>  <Form> (184)
Hydrochloride

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

>  <CAS Number> (184)
1235-82-1

>  <Plate Location> (184)
e6

>  <Rack Number> (184)
L1700-03

$$$$
Budesonide.cdx
csChFnd80/04011511122D

 35 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
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.7563    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  2  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
    8.6019    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    8.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    6.7302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850    6.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9687    4.6326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1595    5.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2882    6.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
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  5 16  1  1  0  0  0
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 10 18  1  6  0  0  0
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 12 20  1  0  0  0  0
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 13 24  1  1  0  0  0
 21 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  6  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 26 32  1  6  0  0  0
 26 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C25H34O6

>  <MolWeight> (185)
430.53386

>  <Item Name> (185)
Budesonide

>  <Catalog Number> (185)
S1286

>  <Synonyms> (185)
Rhinocort, Pulmicort , Entocort, Symbicort, Noex. Entocort EC

>  <Target> (185)
Others

>  <Form> (185)
Free Base

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

>  <CAS Number> (185)
51333-22-3

>  <Plate Location> (185)
f6

>  <Rack Number> (185)
L1700-03

$$$$
Bumetanide.cdx
csChFnd80/04011511122D

 25 26  0  0  0  0  0  0  0  0999 V2000
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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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    7.2620    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
  2 10  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C17H20N2O5S

>  <MolWeight> (186)
364.4161

>  <Item Name> (186)
Bumetanide

>  <Catalog Number> (186)
S1287

>  <Synonyms> (186)
Bumex

>  <Target> (186)
Others

>  <Form> (186)
Free Base

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

>  <CAS Number> (186)
28395-03-1

>  <Plate Location> (186)
g6

>  <Rack Number> (186)
L1700-03

$$$$
Carmofur.cdx
csChFnd80/04011511122D

 18 18  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 N   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 N   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 F   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    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 N   0  0  0  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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.1073    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  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  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
 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
M  END
>  <Mol_ID> (187)
187

>  <Formula> (187)
C11H16FN3O3

>  <MolWeight> (187)
257.2614432

>  <Item Name> (187)
Carmofur

>  <Catalog Number> (187)
S1289

>  <Synonyms> (187)
HCFU

>  <Target> (187)
Antimetabolites

>  <Form> (187)
Free Base

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

>  <CAS Number> (187)
61422-45-5

>  <Plate Location> (187)
a7

>  <Rack Number> (187)
L1700-03

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/04011511122D

 29 29  0  0  0  0  0  0  0  0999 V2000
    9.6727    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0976    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0976    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6769    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6769    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4645    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4645    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0438    6.9903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3058    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5182    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5182    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3058    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7265    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9347    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1429    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3511    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
  9 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  9  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 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C21H27Cl3N2O3

>  <MolWeight> (188)
461.80968

>  <Item Name> (188)
Cetirizine Dihydrochloride

>  <Catalog Number> (188)
S1291

>  <Synonyms> (188)
Zyrtec, Reactine

>  <Target> (188)
Histamine Receptor

>  <Form> (188)
Hydrochloride

>  <URL> (188)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (188)
83881-52-1

>  <Plate Location> (188)
b7

>  <Rack Number> (188)
L1700-03

$$$$
Cilnidipine.cdx
csChFnd80/04011511122D

 36 38  0  0  0  0  0  0  0  0999 V2000
    7.2494    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4976    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
    8.4618    5.5927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8825    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.8825    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   10.8825    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8329    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5951    0.0000 O   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
   10.8825    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5071    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7154    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9236    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1360    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3485    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1360    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9236    7.6927    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
  4  8  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 15  2  0  0  0  0
 15  7  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
 18 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
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 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  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
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (189)
189

>  <Formula> (189)
C27H28N2O7

>  <MolWeight> (189)
492.52042

>  <Item Name> (189)
Cilnidipine

>  <Catalog Number> (189)
S1293

>  <Synonyms> (189)
FRC 8653 

>  <Target> (189)
Calcium Channel

>  <Form> (189)
Free Base

>  <URL> (189)
http://www.selleckchem.com/products/Cilnidipine.html

>  <CAS Number> (189)
132203-70-4

>  <Plate Location> (189)
c7

>  <Rack Number> (189)
L1700-03

$$$$
Camptothecine.cdx
csChFnd80/04011511122D

 26 30  0  0  0  0  0  0  0  0999 V2000
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    2.4207    5.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.6832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.7784    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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M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C20H16N2O4

>  <MolWeight> (190)
348.35204

>  <Item Name> (190)
Camptothecin

>  <Catalog Number> (190)
S1288

>  <Synonyms> (190)
N/A

>  <Target> (190)
Topoisomerase

>  <Form> (190)
Free Base

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

>  <CAS Number> (190)
7689-03-4

>  <Plate Location> (190)
h6

>  <Rack Number> (190)
L1700-03

$$$$
DIETHYLSTILBESTROL (diethylstilbestrol).cdx
csChFnd80/04011511122D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 19 12  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (191)
191

>  <Formula> (191)
C18H20O2

>  <MolWeight> (191)
268.3502

>  <Item Name> (191)
Diethylstilbestrol (Stilbestrol)

>  <Catalog Number> (191)
S1859

>  <Synonyms> (191)
diethylstilboestrol, DES, Stilbestrol, Agostilben

>  <Target> (191)
Others

>  <Form> (191)
Free Base

>  <URL> (191)
http://www.selleckchem.com/products/Diethylstilbestrol(Stilbestrol).html

>  <CAS Number> (191)
56-53-1

>  <Plate Location> (191)
a4

>  <Rack Number> (191)
L1700-07

$$$$
Diltiazem HCl.cdx
csChFnd80/04011511122D

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    6.0318    7.8473    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  1  1  0  0  0  0
M  END
>  <Mol_ID> (192)
192

>  <Formula> (192)
C22H27ClN2O4S

>  <MolWeight> (192)
450.97878

>  <Item Name> (192)
Diltiazem HCl (Tiazac)

>  <Catalog Number> (192)
S1865

>  <Synonyms> (192)
Cardizem

>  <Target> (192)
Others

>  <Form> (192)
Hydrochloric

>  <URL> (192)
http://www.selleckchem.com/products/Diltiazem-HCl(Tiazac).html

>  <CAS Number> (192)
33286-22-5 

>  <Plate Location> (192)
b4

>  <Rack Number> (192)
L1700-07

$$$$
Diphenhydramine hydrochloride.cdx
csChFnd80/04011511122D

 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
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 19  8  1  0  0  0  0
M  END
>  <Mol_ID> (193)
193

>  <Formula> (193)
C17H22ClNO

>  <MolWeight> (193)
291.81568

>  <Item Name> (193)
Diphenhydramine HCl (Benadryl)

>  <Catalog Number> (193)
S1866

>  <Synonyms> (193)
Dimedrol

>  <Target> (193)
Others

>  <Form> (193)
Hydrochloride

>  <URL> (193)
http://www.selleckchem.com/products/Diphenhydramine-hydrochloride(Benadryl).html

>  <CAS Number> (193)
147-24-0 

>  <Plate Location> (193)
c4

>  <Rack Number> (193)
L1700-07

$$$$
Dapoxetine hydrochloride.cdx
csChFnd80/04011511122D

 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
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 10  5  1  0  0  0  0
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 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C21H24ClNO

>  <MolWeight> (194)
341.87436

>  <Item Name> (194)
Dapoxetine hydrochloride (Priligy)

>  <Catalog Number> (194)
S1869

>  <Synonyms> (194)
Priligy, LY-210448 hydrochloride

>  <Target> (194)
5-HT Receptor

>  <Form> (194)
Hydrochloride

>  <URL> (194)
http://www.selleckchem.com/products/Dapoxetine-hydrochloride(Priligy).html

>  <CAS Number> (194)
129938-20-1

>  <Plate Location> (194)
d4

>  <Rack Number> (194)
L1700-07

$$$$
Anagrelide hydrochloride.cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C10H8Cl3N3O

>  <MolWeight> (195)
292.54902

>  <Item Name> (195)
Anagrelide hydrochloride 

>  <Catalog Number> (195)
S3172

>  <Synonyms> (195)
N/A

>  <Target> (195)
PDE

>  <Form> (195)
Hydrochloride 

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

>  <CAS Number> (195)
58579-51-4

>  <Plate Location> (195)
f11

>  <Rack Number> (195)
L1700-15

$$$$
Antipyrine.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C11H12N2O

>  <MolWeight> (196)
188.22578

>  <Item Name> (196)
Antipyrine

>  <Catalog Number> (196)
S3173

>  <Synonyms> (196)
N/A 

>  <Target> (196)
Others

>  <Form> (196)
Free Base

>  <URL> (196)
http://www.selleckchem.com/products/antipyrine.html

>  <CAS Number> (196)
60-80-0

>  <Plate Location> (196)
g11

>  <Rack Number> (196)
L1700-15

$$$$
Felodipine.cdx
csChFnd80/04011511122D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C18H19Cl2NO4

>  <MolWeight> (197)
384.25376

>  <Item Name> (197)
Felodipine (Plendil)

>  <Catalog Number> (197)
S1885

>  <Synonyms> (197)
Renedil, Feloday 

>  <Target> (197)
NULL

>  <Form> (197)
Free Base

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

>  <CAS Number> (197)
72509-76-3

>  <Plate Location> (197)
c5

>  <Rack Number> (197)
L1700-07

$$$$
Deflazacort.cdx
csChFnd80/04011511122D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C25H31NO6

>  <MolWeight> (198)
441.51674

>  <Item Name> (198)
Deflazacort (Calcort)

>  <Catalog Number> (198)
S1888

>  <Synonyms> (198)
Cortax, Decortil, Deflanil

>  <Target> (198)
Others

>  <Form> (198)
Free Base

>  <URL> (198)
http://www.selleckchem.com/products/Deflazacor.html

>  <CAS Number> (198)
14484-47-0

>  <Plate Location> (198)
d5

>  <Rack Number> (198)
L1700-07

$$$$
Nizatidine.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C12H21N5O2S2

>  <MolWeight> (199)
331.45744

>  <Item Name> (199)
Nizatidine

>  <Catalog Number> (199)
S1890

>  <Synonyms> (199)
Axid

>  <Target> (199)
Others

>  <Form> (199)
Free Base

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

>  <CAS Number> (199)
76963-41-2

>  <Plate Location> (199)
f5

>  <Rack Number> (199)
L1700-07

$$$$
Dyclonine hydrochloride.cdx
csChFnd80/04011511122D

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   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
  2  3  1  0  0  0  0
  3  4  2  0  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
 12 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
M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C18H28ClNO2

>  <MolWeight> (200)
325.87342

>  <Item Name> (200)
Dyclonine hydrochloride

>  <Catalog Number> (200)
S2041

>  <Synonyms> (200)
N/A

>  <Target> (200)
Others

>  <Form> (200)
Hydrochloride

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

>  <CAS Number> (200)
536-43-6

>  <Plate Location> (200)
e4

>  <Rack Number> (200)
L1700-08

$$$$
CARBILEV (carbidopa).cdx
csChFnd80/04011511122D

 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> (201)
201

>  <Formula> (201)
C10H14N2O4

>  <MolWeight> (201)
226.22916

>  <Item Name> (201)
Carbidopa

>  <Catalog Number> (201)
S1891

>  <Synonyms> (201)
Lodosyn

>  <Form> (201)
Free Base

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

>  <CAS Number> (201)
28860-95-9

>  <Plate Location> (201)
g5

>  <Rack Number> (201)
L1700-07

$$$$
VALSARTAN (valsartan).cdx
csChFnd80/04011511122D

 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
    1.2082    8.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    8.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4879    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
    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  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
  8 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
 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> (202)
202

>  <Formula> (202)
C24H29N5O3

>  <MolWeight> (202)
435.51876

>  <Item Name> (202)
Valsartan (Diovan)

>  <Catalog Number> (202)
S1894

>  <Synonyms> (202)
N/A 

>  <Target> (202)
RAAS

>  <Form> (202)
Free Base

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

>  <CAS Number> (202)
137862-53-4

>  <Plate Location> (202)
h5

>  <Rack Number> (202)
L1700-07

$$$$

csChFnd80/04011511122D

 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
    6.0620    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117   10.4999    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  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
 12 13  1  0  0  0  0
 13 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
  6 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
  7 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
  9 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (203)
203

>  <Formula> (203)
C24H40N8O4

>  <MolWeight> (203)
504.6256

>  <Item Name> (203)
Dipyridamole (Persantine)

>  <Catalog Number> (203)
S1895

>  <Synonyms> (203)
Permole

>  <Target> (203)
Others

>  <Form> (203)
Free Base

>  <URL> (203)
http://www.selleckchem.com/products/Dipyridamole(Permole,-Persantine).html

>  <CAS Number> (203)
58-32-2

>  <Plate Location> (203)
a6

>  <Rack Number> (203)
L1700-07

$$$$
Hydroxyurea.cdx
csChFnd80/04011511122D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
CH4N2O2

>  <MolWeight> (204)
76.05466

>  <Item Name> (204)
Hydroxyurea (Cytodrox)

>  <Catalog Number> (204)
S1896

>  <Synonyms> (204)
Hydrea, Biosupressin

>  <Target> (204)
Others

>  <Form> (204)
Free Base

>  <URL> (204)
http://www.selleckchem.com/products/Hydroxyurea(Cytodrox).html

>  <CAS Number> (204)
127-07-1

>  <Plate Location> (204)
b6

>  <Rack Number> (204)
L1700-07

$$$$
IOSAT (potassium iodide).cdx
csChFnd80/04011511122D

  2  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
IK

>  <MolWeight> (205)
166.00277

>  <Item Name> (205)
Potassium iodide

>  <Catalog Number> (205)
S1897

>  <Synonyms> (205)
N/A 

>  <Target> (205)
Others

>  <Form> (205)
Inorganic salt

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

>  <CAS Number> (205)
7681-11-0

>  <Plate Location> (205)
c6

>  <Rack Number> (205)
L1700-07

$$$$
Tropisetron hydrochloride.cdx
csChFnd80/04011511122D

 24 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
    3.7564    0.2674    0.0000 N   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 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    4.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539    4.8963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6618    6.0083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9646    5.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3664    6.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0833    7.3210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C17H21ClN2O2

>  <MolWeight> (206)
320.81384

>  <Item Name> (206)
Tropisetron HCl

>  <Catalog Number> (206)
S1898

>  <Synonyms> (206)
Navoban

>  <Target> (206)
Others

>  <Form> (206)
Hydrochloride

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

>  <CAS Number> (206)
105826-92-4 

>  <Plate Location> (206)
d6

>  <Rack Number> (206)
L1700-07

$$$$
Nicotinamide.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C6H6N2O

>  <MolWeight> (207)
122.12464

>  <Item Name> (207)
Nicotinamide (Niacinamide)

>  <Catalog Number> (207)
S1899

>  <Synonyms> (207)
Niacinamide, Nicotinic acid amide 

>  <Target> (207)
NULL

>  <Form> (207)
Free Base

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

>  <CAS Number> (207)
98-92-0

>  <Plate Location> (207)
e6

>  <Rack Number> (207)
L1700-07

$$$$
Vitamin B12.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C63H88CoN14O14P

>  <MolWeight> (208)
1355.365181

>  <Item Name> (208)
Vitamin B12

>  <Catalog Number> (208)
S1902

>  <Synonyms> (208)
Cobalamin, vitamin B-12, Cyanocobalamin 

>  <Target> (208)
Others

>  <Form> (208)
Free Base

>  <URL> (208)
http://www.selleckchem.com/products/Vitamin-B12.html

>  <CAS Number> (208)
68-19-9

>  <Plate Location> (208)
f6

>  <Rack Number> (208)
L1700-07

$$$$
ARTHROTEC (diclofenac sodium).cdx
csChFnd80/04011511122D

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 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C14H10Cl2NNaO2

>  <MolWeight> (209)
318.13047

>  <Item Name> (209)
Diclofenac

>  <Catalog Number> (209)
S1903

>  <Synonyms> (209)
Voltaren, Solaraze, Ecofenac 

>  <Target> (209)
COX

>  <Form> (209)
Sodium Salt 

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

>  <CAS Number> (209)
15307-79-6

>  <Plate Location> (209)
g6

>  <Rack Number> (209)
L1700-07

$$$$
FLAGYL (metronidazole).cdx
csChFnd80/04011511122D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4595    3.1099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    3.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    5.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    5.2643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    3.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9190    3.5017    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2090    2.1371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9558    4.4353    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1072    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
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  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C6H9N3O3

>  <MolWeight> (210)
171.15396

>  <Item Name> (210)
Metronidazole (Flagyl)

>  <Catalog Number> (210)
S1907

>  <Synonyms> (210)
Nidagyl, Mepagyl, Anagiardil, Bayer 5360, NSC 50364, NSC69587 

>  <Target> (210)
Others

>  <Form> (210)
Free Base

>  <URL> (210)
http://www.selleckchem.com/products/Metronidazole(Flagyl).html

>  <CAS Number> (210)
443-48-1

>  <Plate Location> (210)
b7

>  <Rack Number> (210)
L1700-07

$$$$
Flutamide .cdx
csChFnd80/04011511122D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4291    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8624    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2049    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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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
    0.0042    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0748    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2873    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C11H11F3N2O3

>  <MolWeight> (211)
276.2118496

>  <Item Name> (211)
Flutamide (Eulexin)

>  <Catalog Number> (211)
S1908

>  <Synonyms> (211)
Flutamin, Drogenil 

>  <Target> (211)
P450

>  <Form> (211)
Free Base

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

>  <CAS Number> (211)
13311-84-7

>  <Plate Location> (211)
c7

>  <Rack Number> (211)
L1700-07

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/04011511122D

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.8000    3.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2062    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7467    7.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7835    8.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3569    5.8305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.7733    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 10  1  0  0  0  0
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 26 29  1  0  0  0  0
 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C24H25FNNaO4

>  <MolWeight> (212)
433.4477732

>  <Item Name> (212)
Fluvastatin sodium (Lescol)

>  <Catalog Number> (212)
S1909

>  <Synonyms> (212)
Vastin

>  <Target> (212)
HMG-CoA Reductase

>  <Form> (212)
Sodium

>  <URL> (212)
http://www.selleckchem.com/products/Fluvastatin-Sodium(Lescol).htm

>  <CAS Number> (212)
93957-55-2

>  <Plate Location> (212)
d7

>  <Rack Number> (212)
L1700-07

$$$$
GANTANOL (sulfamethoxazole).cdx
csChFnd80/04011511122D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    2.2281    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
   10.8610    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
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  8 16  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C10H11N3O3S

>  <MolWeight> (213)
253.27764

>  <Item Name> (213)
Sulfamethoxazole

>  <Catalog Number> (213)
S1915

>  <Synonyms> (213)
Gantanol

>  <Target> (213)
Others

>  <Form> (213)
Free Base

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

>  <CAS Number> (213)
723-46-6

>  <Plate Location> (213)
h7

>  <Rack Number> (213)
L1700-07

$$$$
GANTRISIN (sulfisoxazole).cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C11H13N3O3S

>  <MolWeight> (214)
267.30422

>  <Item Name> (214)
Sulfisoxazole

>  <Catalog Number> (214)
S1916

>  <Synonyms> (214)
Sulfafurazole, Gantrisin Pediatric

>  <Target> (214)
Others

>  <Form> (214)
Free Base

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

>  <CAS Number> (214)
127-69-5

>  <Plate Location> (214)
a8

>  <Rack Number> (214)
L1700-07

$$$$

csChFnd80/04011511122D

 29 30  0  0  0  0  0  0  0  0999 V2000
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   10.0577  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2701  -11.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4826  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4826   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2701   -9.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8495   -3.4974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0577   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6412   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6908  -11.8829    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.6908  -13.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8990  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081  -11.8829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081  -13.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (215)
215

>  <Formula> (215)
C25H30ClN3

>  <MolWeight> (215)
407.9788

>  <Item Name> (215)
Crystal violet 

>  <Catalog Number> (215)
S1917

>  <Synonyms> (215)
Gentian violet, Hexamethyl pararosaniline chloride 

>  <Target> (215)
Others

>  <Form> (215)
Chlorate

>  <URL> (215)
http://www.selleckchem.com/products/Crystal-violet.html

>  <CAS Number> (215)
548-62-9

>  <Plate Location> (215)
b8

>  <Rack Number> (215)
L1700-07

$$$$
HALDOL (haloperidol).cdx
csChFnd80/04011511122D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   12.0991    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (216)
216

>  <Formula> (216)
C21H23ClFNO2

>  <MolWeight> (216)
375.8642232

>  <Item Name> (216)
Haloperidol (Haldol)

>  <Catalog Number> (216)
S1920

>  <Synonyms> (216)
Aloperidin, Bioperidolo, Brotopon, Dozic, Duraperidol, Einalon S

>  <Target> (216)
Others

>  <Form> (216)
Free Base

>  <URL> (216)
http://www.selleckchem.com/products/Haloperidol(Haldol).html

>  <CAS Number> (216)
52-86-8

>  <Plate Location> (216)
c8

>  <Rack Number> (216)
L1700-07

$$$$
HEDULIN (phenindione).cdx
csChFnd80/04011511122D

 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
    5.9744    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    3.6719    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  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> (217)
217

>  <Formula> (217)
C15H10O2

>  <MolWeight> (217)
222.2387

>  <Item Name> (217)
Phenindione (Rectadione)

>  <Catalog Number> (217)
S1921

>  <Synonyms> (217)
Dindevan, Rectadione

>  <Target> (217)
Others

>  <Form> (217)
Free Base

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

>  <CAS Number> (217)
83-12-5

>  <Plate Location> (217)
d8

>  <Rack Number> (217)
L1700-07

$$$$
Irsogladine.cdx
csChFnd80/04011511122D

 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
    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 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
    7.2662    4.1927    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
  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> (218)
218

>  <Formula> (218)
C9H7Cl2N5

>  <MolWeight> (218)
256.09138

>  <Item Name> (218)
Irsogladine

>  <Catalog Number> (218)
S1929

>  <Synonyms> (218)
N/A

>  <Target> (218)
Others

>  <Form> (218)
Free Base

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

>  <CAS Number> (218)
57381-26-7

>  <Plate Location> (218)
f8

>  <Rack Number> (218)
L1700-07

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/04011511122D

 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
 17 27  1  6  0  0  0
 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> (219)
219

>  <Formula> (219)
C21H27FO6

>  <MolWeight> (219)
394.4338832

>  <Item Name> (219)
Triamcinolone (Aristocort)

>  <Catalog Number> (219)
S1933

>  <Synonyms> (219)
Kenacort, Tri-Nasal, Triaderm, Azmacort, Trilone, Volon A, Tristoject, Fougera, Tricortone

>  <Target> (219)
Others

>  <Form> (219)
Free Base

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

>  <CAS Number> (219)
124-94-7

>  <Plate Location> (219)
g8

>  <Rack Number> (219)
L1700-07

$$$$
Azilsartan MedoxoMil.cdx
csChFnd80/04011511122D

 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
    9.7046    1.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3046    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8720    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0046    3.1948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   13.8406    2.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0668    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  4  9  2  0  0  0  0
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 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
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 29 30  1  0  0  0  0
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 31 32  2  0  0  0  0
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 29 33  1  0  0  0  0
 33 34  2  0  0  0  0
 24 31  1  0  0  0  0
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 36 37  1  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> (220)
220

>  <Formula> (220)
C30H24N4O8

>  <MolWeight> (220)
568.53356

>  <Item Name> (220)
Azilsartan Medoxomil (TAK-491)

>  <Catalog Number> (220)
S3057

>  <Synonyms> (220)
N/A

>  <Target> (220)
RAAS

>  <Form> (220)
Free Base

>  <URL> (220)
http://www.selleckchem.com/products/azilsartan-medoxomil-tak-491.html

>  <CAS Number> (220)
863031-21-4

>  <Plate Location> (220)
e5

>  <Rack Number> (220)
L1700-15

$$$$
Medetomidine hcl.cdx
csChFnd80/04011511122D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.9215    4.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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> (221)
221

>  <Formula> (221)
C13H17ClN2

>  <MolWeight> (221)
236.74048

>  <Item Name> (221)
Medetomidine HCl

>  <Catalog Number> (221)
S3060

>  <Synonyms> (221)
N/A

>  <Target> (221)
Adrenergic Receptor

>  <Form> (221)
HCl

>  <URL> (221)
http://www.selleckchem.com/products/medetomidine-hcl.html

>  <CAS Number> (221)
86347-15-1

>  <Plate Location> (221)
f5

>  <Rack Number> (221)
L1700-15

$$$$
Prucalopride.cdx
csChFnd80/04011511122D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4288    8.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341    9.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288    7.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  5  1  2  0  0  0  0
  4  2  2  0  0  0  0
 10  2  1  0  0  0  0
  8  3  1  0  0  0  0
 11  3  2  0  0  0  0
 19  4  1  0  0  0  0
  6  4  1  0  0  0  0
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  6  7  2  0  0  0  0
 13  6  1  0  0  0  0
 18  7  1  0  0  0  0
 12  8  1  0  0  0  0
  9 17  1  0  0  0  0
 21  9  1  0  0  0  0
  9 16  1  0  0  0  0
 20 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 20 19  1  0  0  0  0
 22 21  1  0  0  0  0
 24 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C18H26ClN3O3

>  <MolWeight> (222)
367.87034

>  <Item Name> (222)
Prucalopride

>  <Catalog Number> (222)
S2875

>  <Synonyms> (222)
N/A

>  <Target> (222)
5-HT Receptor

>  <Form> (222)
Free Base

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

>  <CAS Number> (222)
179474-81-8

>  <Plate Location> (222)
a7

>  <Rack Number> (222)
L1700-14

$$$$
Cilostazol.cdx
csChFnd80/04011511122D

 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
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    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
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  1  2  1  0  0  0  0
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  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
  2 11  2  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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 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C20H27N5O2

>  <MolWeight> (223)
369.46068

>  <Item Name> (223)
Cilostazol

>  <Catalog Number> (223)
S1294

>  <Synonyms> (223)
Pletal

>  <Target> (223)
PDE

>  <Form> (223)
Free Base

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

>  <CAS Number> (223)
73963-72-1

>  <Plate Location> (223)
d7

>  <Rack Number> (223)
L1700-03

$$$$
Epothilone A.cdx
csChFnd80/04011511122D

 34 36  0  0  0  0  0  0  0  0999 V2000
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    6.0622    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C26H39NO6S

>  <MolWeight> (224)
493.65596

>  <Item Name> (224)
Epothilone A

>  <Catalog Number> (224)
S1297

>  <Synonyms> (224)
N/A

>  <Target> (224)
Microtubule Associated

>  <Form> (224)
Free Base

>  <URL> (224)
http://www.selleckchem.com/products/Epothilone-A.html

>  <CAS Number> (224)
152044-53-6

>  <Plate Location> (224)
e7

>  <Rack Number> (224)
L1700-03

$$$$
Floxuridine.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (225)
225

>  <Formula> (225)
C9H11FN2O5

>  <MolWeight> (225)
246.1924432

>  <Item Name> (225)
Floxuridine

>  <Catalog Number> (225)
S1299

>  <Synonyms> (225)
Fludara, Fluorodeoxyuridine, FUDR, FdUrd, Floxuridin, FAMP 

>  <Target> (225)
DNA/RNA Synthesis

>  <Form> (225)
Free Base

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

>  <CAS Number> (225)
50-91-9

>  <Plate Location> (225)
f7

>  <Rack Number> (225)
L1700-03

$$$$
Ftorafur.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C8H9FN2O3

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Tegafur (FT-207, NSC 148958)

>  <Catalog Number> (226)
S1300

>  <Synonyms> (226)
N/A

>  <Target> (226)
DNA/RNA Synthesis

>  <Form> (226)
Free Base

>  <URL> (226)
http://www.selleckchem.com/products/Ftorafur.html

>  <CAS Number> (226)
17902-23-7

>  <Plate Location> (226)
g7

>  <Rack Number> (226)
L1700-03

$$$$
1.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (227)
227

>  <Formula> (227)
C18H16F2N4O2S

>  <MolWeight> (227)
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>  <Item Name> (227)
LY2886721

>  <Catalog Number> (227)
S2156

>  <Synonyms> (227)
N/A 

>  <Target> (227)
Others

>  <Form> (227)
Free Base

>  <URL> (227)
http://www.selleckchem.com/products/LY-2886721.html

>  <CAS Number> (227)
1262036-50-9

>  <Plate Location> (227)
f1

>  <Rack Number> (227)
L1700-09

$$$$
Ifosfamide.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (228)
228

>  <Formula> (228)
C7H15Cl2N2O2P

>  <MolWeight> (228)
261.085961

>  <Item Name> (228)
Ifosfamide

>  <Catalog Number> (228)
S1302

>  <Synonyms> (228)
Mitoxana, Ifex

>  <Target> (228)
DNA/RNA Synthesis

>  <Form> (228)
Free Base

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

>  <CAS Number> (228)
3778-73-2

>  <Plate Location> (228)
h7

>  <Rack Number> (228)
L1700-03

$$$$
Megestrol Acetate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (229)
229

>  <Formula> (229)
C24H32O4

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Megestrol Acetate

>  <Catalog Number> (229)
S1304

>  <Synonyms> (229)
Megace, Megace ES

>  <Target> (229)
Androgen Receptor

>  <Form> (229)
Acetate

>  <URL> (229)
http://www.selleckchem.com/products/Megestrol-Acetate.html

>  <CAS Number> (229)
595-33-5

>  <Plate Location> (229)
a8

>  <Rack Number> (229)
L1700-03

$$$$
Mercaptopurine.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (230)
230

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C5H4N4S

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152.17706

>  <Item Name> (230)
Mercaptopurine

>  <Catalog Number> (230)
S1305

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Purinethol, 6-mercaptopurine, 6-MP 

>  <Target> (230)
DNA/RNA Synthesis 

>  <Form> (230)
Free Base

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

>  <CAS Number> (230)
50-44-2

>  <Plate Location> (230)
b8

>  <Rack Number> (230)
L1700-03

$$$$
Streptozocin.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (231)
231

>  <Formula> (231)
C8H15N3O7

>  <MolWeight> (231)
265.2206

>  <Item Name> (231)
Streptozotocin (Zanosar)

>  <Catalog Number> (231)
S1312

>  <Synonyms> (231)
Streptozocin, Zanosar, STZ

>  <Target> (231)
Others

>  <Form> (231)
Free Base

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

>  <CAS Number> (231)
18883-66-4

>  <Plate Location> (231)
c8

>  <Rack Number> (231)
L1700-03

$$$$
ki16425.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (232)
232

>  <Formula> (232)
C23H23ClN2O5S

>  <MolWeight> (232)
474.95712

>  <Item Name> (232)
Ki16425

>  <Catalog Number> (232)
S1315

>  <Synonyms> (232)
N/A

>  <Target> (232)
LPA Receptor

>  <Form> (232)
Free Base

>  <URL> (232)
http://www.selleckchem.com/products/Ki16425.html

>  <CAS Number> (232)
355025-24-0 

>  <Plate Location> (232)
d8

>  <Rack Number> (232)
L1700-03

$$$$
Alizarin.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (233)
233

>  <Formula> (233)
C14H8O4

>  <MolWeight> (233)
240.21092

>  <Item Name> (233)
Alizarin

>  <Catalog Number> (233)
S2526

>  <Synonyms> (233)
Rubia, alizarin crimson, crimson madder, rose madder

>  <Target> (233)
Others

>  <Form> (233)
Free Base

>  <URL> (233)
http://www.selleckchem.com/products/Alizarin.html

>  <CAS Number> (233)
72-48-0

>  <Plate Location> (233)
h10

>  <Rack Number> (233)
L1700-11

$$$$
Costunolide.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (234)
234

>  <Formula> (234)
C15H20O2

>  <MolWeight> (234)
232.3181

>  <Item Name> (234)
Costunolide

>  <Catalog Number> (234)
S1319

>  <Synonyms> (234)
N/A

>  <Target> (234)
Telomerase

>  <Form> (234)
Free Base

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

>  <CAS Number> (234)
553-21-9

>  <Plate Location> (234)
e8

>  <Rack Number> (234)
L1700-03

$$$$
Dexamethasone.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (235)
235

>  <Formula> (235)
C22H29FO5

>  <MolWeight> (235)
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>  <Item Name> (235)
Dexamethasone

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S1322

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Decadron

>  <Target> (235)
IL Receptor

>  <Form> (235)
Free Base

>  <URL> (235)
http://www.selleckchem.com/products/Dexamethasone.html

>  <CAS Number> (235)
50-02-2

>  <Plate Location> (235)
f8

>  <Rack Number> (235)
L1700-03

$$$$
Doxazosin mesylate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (236)
236

>  <Formula> (236)
C24H29N5O8S

>  <MolWeight> (236)
547.58076

>  <Item Name> (236)
Doxazosin mesylate

>  <Catalog Number> (236)
S1324

>  <Synonyms> (236)
Cardura, Carduran 

>  <Target> (236)
Adrenergic Receptor

>  <Form> (236)
Mesylate

>  <URL> (236)
http://www.selleckchem.com/products/Doxazosin-mesylate.html

>  <CAS Number> (236)
77883-43-3

>  <Plate Location> (236)
g8

>  <Rack Number> (236)
L1700-03

$$$$
Etodolac.cdx
csChFnd80/04011511122D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (237)
237

>  <Formula> (237)
C17H21NO3

>  <MolWeight> (237)
287.35354

>  <Item Name> (237)
Etodolac (Lodine)

>  <Catalog Number> (237)
S1328

>  <Synonyms> (237)
Lodine, Lodine XL

>  <Target> (237)
COX
COX

>  <Form> (237)
Free Base

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

>  <CAS Number> (237)
41340-25-4

>  <Plate Location> (237)
a9

>  <Rack Number> (237)
L1700-03

$$$$
Etomidate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (238)
238

>  <Formula> (238)
C14H16N2O2

>  <MolWeight> (238)
244.28904

>  <Item Name> (238)
Etomidate

>  <Catalog Number> (238)
S1329

>  <Synonyms> (238)
Amidate

>  <Target> (238)
GABA Receptor

>  <Form> (238)
Free Base

>  <URL> (238)
http://www.selleckchem.com/products/Etomidate.html

>  <CAS Number> (238)
33125-97-2

>  <Plate Location> (238)
b9

>  <Rack Number> (238)
L1700-03

$$$$
Fluconazole.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (239)
239

>  <Formula> (239)
C13H12F2N6O

>  <MolWeight> (239)
306.2707864

>  <Item Name> (239)
Fluconazole

>  <Catalog Number> (239)
S1331

>  <Synonyms> (239)
Diflucan, Trican, Alfumet

>  <Target> (239)
Others

>  <Form> (239)
Free Base

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

>  <CAS Number> (239)
86386-73-4

>  <Plate Location> (239)
d9

>  <Rack Number> (239)
L1700-03

$$$$
Flumazenil.cdx
csChFnd80/04011511122D

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    8.2001    5.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7866    6.7872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0032    4.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3927    4.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1958    3.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  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
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 11  5  1  0  0  0  0
  2 12  1  0  0  0  0
 10 13  2  0  0  0  0
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 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> (240)
240

>  <Formula> (240)
C15H14FN3O3

>  <MolWeight> (240)
303.2883632

>  <Item Name> (240)
Flumazenil

>  <Catalog Number> (240)
S1332

>  <Synonyms> (240)
Flumazepil, Ro 15-1788, Anexate, Lanexat, Mazicon, Roma

>  <Target> (240)
GABA Receptor

>  <Form> (240)
Free Base

>  <URL> (240)
http://www.selleckchem.com/products/Flumazenil.html

>  <CAS Number> (240)
78755-81-4

>  <Plate Location> (240)
e9

>  <Rack Number> (240)
L1700-03

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/04011511122D

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    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (241)
241

>  <Formula> (241)
C17H19ClF3NO

>  <MolWeight> (241)
345.7870696

>  <Item Name> (241)
Fluoxetine  HCl

>  <Catalog Number> (241)
S1333

>  <Synonyms> (241)
Prozac, Sarafem

>  <Target> (241)
5-HT Receptor

>  <Form> (241)
Hydrochloride

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

>  <CAS Number> (241)
56296-78-7

>  <Plate Location> (241)
f9

>  <Rack Number> (241)
L1700-03

$$$$
Flupirtine maleate.cdx
csChFnd80/04011511122D

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2359    3.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5882    3.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5781    2.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14  9  1  0  0  0  0
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 28 29  1  0  0  0  0
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M  END
>  <Mol_ID> (242)
242

>  <Formula> (242)
C19H21FN4O6

>  <MolWeight> (242)
420.3916432

>  <Item Name> (242)
Flupirtine maleate

>  <Catalog Number> (242)
S1334

>  <Synonyms> (242)
Katadolon

>  <Target> (242)
Antimetabolites

>  <Form> (242)
Maleate

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

>  <CAS Number> (242)
75507-68-5

>  <Plate Location> (242)
g9

>  <Rack Number> (242)
L1700-03

$$$$
Genistein.cdx
csChFnd80/04011511122D

 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
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (243)
243

>  <Formula> (243)
C15H10O5

>  <MolWeight> (243)
270.2369

>  <Item Name> (243)
Genistein

>  <Catalog Number> (243)
S1342

>  <Synonyms> (243)
N/A

>  <Target> (243)
Topoisomerase
EGFR

>  <Form> (243)
Free Base

>  <URL> (243)
http://www.selleckchem.com/products/Genistein.html

>  <CAS Number> (243)
446-72-0

>  <Plate Location> (243)
a10

>  <Rack Number> (243)
L1700-03

$$$$
Ginkgolide B.cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (244)
244

>  <Formula> (244)
C20H24O10

>  <MolWeight> (244)
424.39856

>  <Item Name> (244)
Ginkgolide B

>  <Catalog Number> (244)
S1343

>  <Synonyms> (244)
BN 52021 

>  <Target> (244)
PAFR

>  <Form> (244)
Free Base

>  <URL> (244)
http://www.selleckchem.com/products/Ginkgolide-B.html

>  <CAS Number> (244)
15291-77-7

>  <Plate Location> (244)
b10

>  <Rack Number> (244)
L1700-03

$$$$
Glimepiride.cdx
csChFnd80/04011511122D

 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
    6.5406    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7531    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9655    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9655    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7531    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1737    4.8951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0066    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  6  0  0  0
  7 19  2  0  0  0  0
  7 20  2  0  0  0  0
  2 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 22 26  1  0  0  0  0
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 29 22  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
 29 33  2  0  0  0  0
 23 34  2  0  0  0  0
M  END
>  <Mol_ID> (245)
245

>  <Formula> (245)
C24H34N4O5S

>  <MolWeight> (245)
490.61556

>  <Item Name> (245)
Glimepiride

>  <Catalog Number> (245)
S1344

>  <Synonyms> (245)
Amaryl, Glista OD

>  <Target> (245)
DPP-4

>  <Form> (245)
Free Base

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

>  <CAS Number> (245)
93479-97-1

>  <Plate Location> (245)
c10

>  <Rack Number> (245)
L1700-03

$$$$
TG100-115.cdx
csChFnd80/04011511122D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 14 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 14  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (246)
246

>  <Formula> (246)
C18H14N6O2

>  <MolWeight> (246)
346.34276

>  <Item Name> (246)
TG100-115

>  <Catalog Number> (246)
S1352

>  <Synonyms> (246)
N/A

>  <Target> (246)
PI3K

>  <Form> (246)
Free Base

>  <URL> (246)
http://www.selleckchem.com/products/TG100-115.html

>  <CAS Number> (246)
677297-51-7

>  <Plate Location> (246)
e10

>  <Rack Number> (246)
L1700-03

$$$$
Ketoconazole.cdx
csChFnd80/04011511122D

 36 40  0  0  0  0  0  0  0  0999 V2000
    5.3005   11.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9382    9.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9281    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6428   10.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5030    6.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7235    3.4951    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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 28 24  1  0  0  0  0
 20 23  1  1  0  0  0
 20 29  1  0  0  0  0
 29 30  2  0  0  0  0
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 34 29  1  0  0  0  0
 34 35  1  0  0  0  0
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M  END
>  <Mol_ID> (247)
247

>  <Formula> (247)
C26H28Cl2N4O4

>  <MolWeight> (247)
531.43092

>  <Item Name> (247)
Ketoconazole

>  <Catalog Number> (247)
S1353

>  <Synonyms> (247)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (247)
P450

>  <Form> (247)
Free Base

>  <URL> (247)
http://www.selleckchem.com/products/Ketoconazole.html

>  <CAS Number> (247)
65277-42-1

>  <Plate Location> (247)
f10

>  <Rack Number> (247)
L1700-03

$$$$
Lansoprazole.cdx
csChFnd80/04011511122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    0.7000    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1694    4.1899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  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
  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
 10 13  2  0  0  0  0
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M  END
>  <Mol_ID> (248)
248

>  <Formula> (248)
C16H14F3N3O2S

>  <MolWeight> (248)
369.3614696

>  <Item Name> (248)
Lansoprazole

>  <Catalog Number> (248)
S1354

>  <Synonyms> (248)
Prevacid, Prevacid NapraPAC, Prevacid SoluTab

>  <Target> (248)
Proton Pump

>  <Form> (248)
Free Base

>  <URL> (248)
http://www.selleckchem.com/products/Lansoprazole.html

>  <CAS Number> (248)
103577-45-3

>  <Plate Location> (248)
g10

>  <Rack Number> (248)
L1700-03

$$$$
Levetiracetam.cdx
csChFnd80/04011511122D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.5536    4.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (249)
249

>  <Formula> (249)
C8H14N2O2

>  <MolWeight> (249)
170.20896

>  <Item Name> (249)
Levetiracetam

>  <Catalog Number> (249)
S1356

>  <Synonyms> (249)
Keppra, Keppra XR

>  <Target> (249)
Others

>  <Form> (249)
Free Base

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

>  <CAS Number> (249)
102767-28-2

>  <Plate Location> (249)
h10

>  <Rack Number> (249)
L1700-03

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (250)
250

>  <Formula> (250)
C22H23ClN2O2

>  <MolWeight> (250)
382.88322

>  <Item Name> (250)
Loratadine

>  <Catalog Number> (250)
S1358

>  <Synonyms> (250)
Alavert, Claritin

>  <Target> (250)
Histamine Receptor

>  <Form> (250)
Free Base

>  <URL> (250)
http://www.selleckchem.com/products/Loratadine.html

>  <CAS Number> (250)
79794-75-5

>  <Plate Location> (250)
b11

>  <Rack Number> (250)
L1700-03

$$$$
bms-707035.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (251)
251

>  <Formula> (251)
C18H11N3O2S

>  <MolWeight> (251)
333.36384

>  <Item Name> (251)
GSK1059615

>  <Catalog Number> (251)
S1360

>  <Synonyms> (251)
N/A

>  <Target> (251)
PI3K, mTOR

>  <Form> (251)
Free Base

>  <URL> (251)
http://www.selleckchem.com/products/GSK1059615.html

>  <CAS Number> (251)
958852-01-2

>  <Plate Location> (251)
d11

>  <Rack Number> (251)
L1700-03

$$$$
mgcd265.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (252)
252

>  <Formula> (252)
C26H20FN5O2S2

>  <MolWeight> (252)
517.5977032

>  <Item Name> (252)
MGCD-265

>  <Catalog Number> (252)
S1361

>  <Synonyms> (252)
N/A

>  <Target> (252)
c-Met, VEGFR, Tie-2 

>  <Form> (252)
Free Base

>  <URL> (252)
http://www.selleckchem.com/products/MGCD-265.html

>  <CAS Number> (252)
875337-44-3

>  <Plate Location> (252)
e11

>  <Rack Number> (252)
L1700-03

$$$$
ON-01910.cdx
csChFnd80/04011511122D

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253

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C21H24NNaO8S

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473.47193

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Rigosertib (ON-01910)

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S1362

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ON-01910

>  <Target> (253)
PLK

>  <Form> (253)
Sodium Salt

>  <URL> (253)
http://www.selleckchem.com/products/ON-01910.html

>  <CAS Number> (253)
1225497-78-8

>  <Plate Location> (253)
f11

>  <Rack Number> (253)
L1700-03

$$$$
KI8751.cdx
csChFnd80/04011511122D

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254

>  <Formula> (254)
C24H18F3N3O4

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469.4126296

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Ki8751

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S1363

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N/A

>  <Target> (254)
VEGFR, c-Kit, PDGFR

>  <Form> (254)
Free Base

>  <URL> (254)
http://www.selleckchem.com/products/Ki8751.html

>  <CAS Number> (254)
228559-41-9

>  <Plate Location> (254)
g11

>  <Rack Number> (254)
L1700-03

$$$$
EpothiloneB.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (255)
255

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C27H41NO6S

>  <MolWeight> (255)
507.68254

>  <Item Name> (255)
Epothilone B (EPO906)

>  <Catalog Number> (255)
S1364

>  <Synonyms> (255)
N/A 

>  <Target> (255)
Microtubule Associated

>  <Form> (255)
Free Base

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

>  <CAS Number> (255)
152044-54-7

>  <Plate Location> (255)
h11

>  <Rack Number> (255)
L1700-03

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (256)
256

>  <Formula> (256)
C22H19Cl3N8

>  <MolWeight> (256)
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>  <Item Name> (256)
CHIR-99021 (CT99021) HCl

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S2924

>  <Synonyms> (256)
N/A

>  <Target> (256)
PI3K/Akt/mTOR

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HCl

>  <URL> (256)
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>  <CAS Number> (256)
252917-06-9 (free base)

>  <Plate Location> (256)
c11

>  <Rack Number> (256)
L1700-14

$$$$
BMS707035.cdx
csChFnd80/04011511122D

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S1366

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N/A

>  <Target> (257)
Integrase

>  <Form> (257)
Free Base

>  <URL> (257)
http://www.selleckchem.com/products/BMS-707035.html

>  <CAS Number> (257)
729607-74-3

>  <Plate Location> (257)
a1

>  <Rack Number> (257)
L1700-04

$$$$
Amonafide.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (258)
258

>  <Formula> (258)
C16H17N3O2

>  <MolWeight> (258)
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>  <Item Name> (258)
Amonafide

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S1367

>  <Synonyms> (258)
AS1413, Xanafide, Quinamed

>  <Target> (258)
Topoisomerase

>  <Form> (258)
Free Base

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

>  <CAS Number> (258)
69408-81-7

>  <Plate Location> (258)
b1

>  <Rack Number> (258)
L1700-04

$$$$
Acitretin.cdx
csChFnd80/04011511122D

 24 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (259)
259

>  <Formula> (259)
C21H26O3

>  <MolWeight> (259)
326.42934

>  <Item Name> (259)
Acitretin

>  <Catalog Number> (259)
S1368

>  <Synonyms> (259)
Soriatane

>  <Target> (259)
Others

>  <Form> (259)
Free Base

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

>  <CAS Number> (259)
55079-83-9

>  <Plate Location> (259)
c1

>  <Rack Number> (259)
L1700-04

$$$$
Gestodene.cdx
csChFnd80/04011511122D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (260)
260

>  <Formula> (260)
C21H26O2

>  <MolWeight> (260)
310.42994

>  <Item Name> (260)
Gestodene

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S1376

>  <Synonyms> (260)
N/A

>  <Target> (260)
Estrogen/progestogen Receptor

>  <Form> (260)
Free Base

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

>  <CAS Number> (260)
60282-87-3

>  <Plate Location> (260)
e1

>  <Rack Number> (260)
L1700-04

$$$$
Drospirenone.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (261)
261

>  <Formula> (261)
C24H30O3

>  <MolWeight> (261)
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>  <Item Name> (261)
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>  <Catalog Number> (261)
S1377

>  <Synonyms> (261)
Angeliq

>  <Target> (261)
Estrogen/progestogen Receptor

>  <Form> (261)
Free Base

>  <URL> (261)
http://www.selleckchem.com/products/Drospirenone.html

>  <CAS Number> (261)
67392-87-4

>  <Plate Location> (261)
f1

>  <Rack Number> (261)
L1700-04

$$$$
Isotretinoin.cdx
csChFnd80/04011511122D

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4207    4.1951    0.0000 O   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
    4.8455    5.5951    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
    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
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5951    0.0000 C   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
    1.4307    4.6052    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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  1  2  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 11  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (262)
262

>  <Formula> (262)
C20H28O2

>  <MolWeight> (262)
300.43512

>  <Item Name> (262)
Isotretinoin

>  <Catalog Number> (262)
S1379

>  <Synonyms> (262)
Accutane, Amnesteem, Claravis, Sotret

>  <Target> (262)
Hydroxylase

>  <Form> (262)
Free Base

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

>  <CAS Number> (262)
4759-48-2

>  <Plate Location> (262)
h1

>  <Rack Number> (262)
L1700-04

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/04011511122D

 46 49  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
    1.2124    6.2903    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
    3.6331    4.8927    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
    7.2578    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6742    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2879    0.0000 C   0  0  2  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
    8.4618    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    0.0000    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
   10.8867    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8867    9.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    6.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    6.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    6.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    9.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826   11.1806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   11.1781    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2620   12.5733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   13.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   14.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   15.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   14.6733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   13.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5757    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
  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
 11 13  2  0  0  0  0
 14 12  1  6  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  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
 16 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
 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
 16 32  1  1  0  0  0
 24 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 37 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 37  1  0  0  0  0
 45 46  2  0  0  0  0
 36 34  1  6  0  0  0
M  END
>  <Mol_ID> (263)
263

>  <Formula> (263)
C37H48N4O5

>  <MolWeight> (263)
628.80082

>  <Item Name> (263)
Lopinavir (ABT-378)

>  <Catalog Number> (263)
S1380

>  <Synonyms> (263)
ABT-378

>  <Target> (263)
HIV Protease

>  <Form> (263)
Free Base

>  <URL> (263)
http://www.selleckchem.com/products/Lopinavir.html

>  <CAS Number> (263)
192725-17-0

>  <Plate Location> (263)
a2

>  <Rack Number> (263)
L1700-04

$$$$
Meropenem.cdx
csChFnd80/04011511122D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.6554    6.2206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6554    4.8157    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0603    4.8157    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0603    6.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3193    6.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4935    5.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3193    4.3815    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0502    7.2105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0502    3.8257    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6879    2.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4025    4.1881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8867    7.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8235    9.0266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5173    8.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0935    5.5181    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8867    3.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3935    4.3057    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9964    4.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    2.7847    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9209    2.0822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9649    3.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2927    3.0381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2535    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
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  4  8  2  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
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  6 15  1  0  0  0  0
  7 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 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  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (264)
264

>  <Formula> (264)
C17H25N3O5S

>  <MolWeight> (264)
383.4625

>  <Item Name> (264)
Meropenem

>  <Catalog Number> (264)
S1381

>  <Synonyms> (264)
Merrem, Meronem

>  <Target> (264)
Others

>  <Form> (264)
Free Base

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

>  <CAS Number> (264)
96036-03-2

>  <Plate Location> (264)
b2

>  <Rack Number> (264)
L1700-04

$$$$
Mianserin hydrochloride.cdx
csChFnd80/04011511122D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7824    2.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1347    1.9510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2611    2.7824    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3135    4.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2523    5.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8767    4.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2225    3.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8313    3.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5598    1.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9510    1.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2914    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9610    6.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9798    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7178    2.8043    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  7  1  0  0  0  0
  7  1  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  1  1  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  1  0  0  0  0
 15  3  1  0  0  0  0
  5 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  2  0  0  0  0
 19 18  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (265)
265

>  <Formula> (265)
C18H21ClN2

>  <MolWeight> (265)
300.82574

>  <Item Name> (265)
Mianserin hydrochloride

>  <Catalog Number> (265)
S1382

>  <Synonyms> (265)
Bolvidon, Norval, Tolvon

>  <Target> (265)
Others

>  <Form> (265)
Hydrochloride

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

>  <CAS Number> (265)
21535-47-7

>  <Plate Location> (265)
c2

>  <Rack Number> (265)
L1700-04

$$$$
Mosapride citrate.cdx
csChFnd80/04011511122D

 42 43  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.0512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    8.0512    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413   10.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (266)
266

>  <Formula> (266)
C27H33ClFN3O10

>  <MolWeight> (266)
614.0164232

>  <Item Name> (266)
Mosapride citrate

>  <Catalog Number> (266)
S1385

>  <Synonyms> (266)
TAK-370, AS-4370, Gasmot

>  <Target> (266)
5-HT Receptor

>  <Form> (266)
Citrate

>  <URL> (266)
http://www.selleckchem.com/products/Mosapride-citrate.html

>  <CAS Number> (266)
112885-42-4

>  <Plate Location> (266)
d2

>  <Rack Number> (266)
L1700-04

$$$$
Nafamostat mesylate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (267)
267

>  <Formula> (267)
C21H25N5O8S2

>  <MolWeight> (267)
539.5819

>  <Item Name> (267)
Nafamostat mesylate

>  <Catalog Number> (267)
S1386

>  <Synonyms> (267)
Futhan, FUT-175

>  <Target> (267)
Proteasome

>  <Form> (267)
Mesylate

>  <URL> (267)
http://www.selleckchem.com/products/Nafamostat-mesylate.html

>  <CAS Number> (267)
82956-11-4

>  <Plate Location> (267)
e2

>  <Rack Number> (267)
L1700-04

$$$$
Naftopidil.cdx
csChFnd80/04011511122D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (268)
268

>  <Formula> (268)
C24H30Cl2N2O3

>  <MolWeight> (268)
465.4126

>  <Item Name> (268)
Naftopidil Dihydrochloride

>  <Catalog Number> (268)
S1387

>  <Synonyms> (268)
Flivas, KT-611, Avishot 

>  <Target> (268)
Adrenergic Receptor

>  <Form> (268)
Dihydrochloride

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

>  <CAS Number> (268)
57149-08-3

>  <Plate Location> (268)
f2

>  <Rack Number> (268)
L1700-04

$$$$
Omeprazole.cdx
csChFnd80/04011511122D

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

>  <Formula> (269)
C17H19N3O3S

>  <MolWeight> (269)
345.41606

>  <Item Name> (269)
Omeprazole (Prilosec)

>  <Catalog Number> (269)
S1389

>  <Synonyms> (269)
Losec, Omesec, Prilosec, Zegerid

>  <Target> (269)
Proton Pump, ATPase

>  <Form> (269)
Free Base

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

>  <CAS Number> (269)
73590-58-6

>  <Plate Location> (269)
g2

>  <Rack Number> (269)
L1700-04

$$$$
Ondansetron hydrochloride.cdx
csChFnd80/04011511122D

 23 25  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
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 13  9  1  0  0  0  0
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  7 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (270)
270

>  <Formula> (270)
C18H20ClN3O

>  <MolWeight> (270)
329.8239

>  <Item Name> (270)
Ondansetron hydrochloride (Zofran)

>  <Catalog Number> (270)
S1390

>  <Synonyms> (270)
Ondemet, Emeset, Emetron

>  <Target> (270)
5-HT Receptor

>  <Form> (270)
Hydrochloride

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

>  <CAS Number> (270)
99614-01-4

>  <Plate Location> (270)
h2

>  <Rack Number> (270)
L1700-04

$$$$
Pelitinib.cdx
csChFnd80/04011511122D

 33 35  0  0  0  0  0  0  0  0999 V2000
    8.4576    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    8.3879    0.0000 N   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
   15.7280    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3031    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    2.0951    0.0000 C   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
   15.7280    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    0.0000    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
  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
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 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
 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
 22 24  1  0  0  0  0
  7 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
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 29 33  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (271)
271

>  <Formula> (271)
C24H23ClFN5O2

>  <MolWeight> (271)
467.9231232

>  <Item Name> (271)
Pelitinib (EKB-569)

>  <Catalog Number> (271)
S1392

>  <Synonyms> (271)
WAY-EKB 569

>  <Target> (271)
EGFR

>  <Form> (271)
Free Base

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

>  <CAS Number> (271)
257933-82-7

>  <Plate Location> (271)
b3

>  <Rack Number> (271)
L1700-04

$$$$
Pizotifen malate.cdx
csChFnd80/04011511122D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.0330    5.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2455    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5019    8.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9522    7.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4127    5.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7776    5.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4976    5.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9805    3.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0852    1.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3465    1.3912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4383    4.6484    0.0000 C   0  0  3  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  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  3  1  0  0  0  0
  1 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 15  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (272)
272

>  <Formula> (272)
C23H27NO5S

>  <MolWeight> (272)
429.52918

>  <Item Name> (272)
Pizotifen malate

>  <Catalog Number> (272)
S1394

>  <Synonyms> (272)
Sandomigran, pizotyline

>  <Target> (272)
Others

>  <Form> (272)
Malate

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

>  <CAS Number> (272)
5189-11-7

>  <Plate Location> (272)
d3

>  <Rack Number> (272)
L1700-04

$$$$
resveratrol.cdx
csChFnd80/04011511122D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.3476    3.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3376    4.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3998    2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3863    3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0762    3.6898    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
  1  7  1  0  0  0  0
  4  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 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (273)
273

>  <Formula> (273)
C14H12O3

>  <MolWeight> (273)
228.24328

>  <Item Name> (273)
Resveratrol

>  <Catalog Number> (273)
S1396

>  <Synonyms> (273)
N/A

>  <Target> (273)
Sirtuin

>  <Form> (273)
Free Base

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

>  <CAS Number> (273)
501-36-0

>  <Plate Location> (273)
e3

>  <Rack Number> (273)
L1700-04

$$$$
Rocuronium bromide.cdx
csChFnd80/04011511122D

 43 47  0  0  0  0  0  0  0  0999 V2000
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    3.6331    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0580    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4828    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6953    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6953    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.8497    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (274)
274

>  <Formula> (274)
C32H53BrN2O4

>  <MolWeight> (274)
609.67822

>  <Item Name> (274)
Rocuronium bromide

>  <Catalog Number> (274)
S1397

>  <Synonyms> (274)
Zemuron, Esmeron

>  <Target> (274)
AChR

>  <Form> (274)
Bromide

>  <URL> (274)
http://www.selleckchem.com/products/Rocuronium-bromide.html

>  <CAS Number> (274)
119302-91-9

>  <Plate Location> (274)
f3

>  <Rack Number> (274)
L1700-04

$$$$
Stavudine.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (275)
275

>  <Formula> (275)
C10H12N2O4

>  <MolWeight> (275)
224.21328

>  <Item Name> (275)
Stavudine

>  <Catalog Number> (275)
S1398

>  <Synonyms> (275)
Zerit

>  <Target> (275)
Reverse Transcriptase

>  <Form> (275)
Free Base

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

>  <CAS Number> (275)
3056-17-5

>  <Plate Location> (275)
g3

>  <Rack Number> (275)
L1700-04

$$$$

csChFnd80/04011511122D

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M  END
>  <Mol_ID> (276)
276

>  <Formula> (276)
C23H34N5O14P

>  <MolWeight> (276)
635.514921

>  <Item Name> (276)
Tenofovir Disoproxil Fumarate

>  <Catalog Number> (276)
S1400

>  <Synonyms> (276)
Viread

>  <Target> (276)
Reverse Transcriptase

>  <Form> (276)
Fumarate

>  <URL> (276)
http://www.selleckchem.com/products/Tenofovir-Disoproxil-Fumarate.html

>  <CAS Number> (276)
202138-50-9

>  <Plate Location> (276)
h3

>  <Rack Number> (276)
L1700-04

$$$$
S1130.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (277)
277

>  <Formula> (277)
C20H19BrN4O3

>  <MolWeight> (277)
443.29386

>  <Item Name> (277)
YM155 (Sepantronium Bromide)

>  <Catalog Number> (277)
S1130

>  <Synonyms> (277)
N/A

>  <Target> (277)
Survivin

>  <Form> (277)
Free Base

>  <URL> (277)
http://www.selleckchem.com/products/YM155.html

>  <CAS Number> (277)
781661-94-7

>  <Plate Location> (277)
f2

>  <Rack Number> (277)
L1700-02

$$$$
Tigecycline.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (278)
278

>  <Formula> (278)
C29H39N5O8

>  <MolWeight> (278)
585.64866

>  <Item Name> (278)
Tigecycline

>  <Catalog Number> (278)
S1403

>  <Synonyms> (278)
Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

>  <Target> (278)
Others

>  <Form> (278)
Free Base

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

>  <CAS Number> (278)
220620-09-7

>  <Plate Location> (278)
a4

>  <Rack Number> (278)
L1700-04

$$$$
Trilostane.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (279)
279

>  <Formula> (279)
C20H27NO3

>  <MolWeight> (279)
329.43328

>  <Item Name> (279)
Trilostane

>  <Catalog Number> (279)
S1404

>  <Synonyms> (279)
Vetoryl

>  <Target> (279)
Dehydrogenase

>  <Form> (279)
Free Base

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

>  <CAS Number> (279)
13647-35-3

>  <Plate Location> (279)
b4

>  <Rack Number> (279)
L1700-04

$$$$
Vecuronium Bromide.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C34H57BrN2O4

>  <MolWeight> (280)
637.73138

>  <Item Name> (280)
Vecuronium Bromide

>  <Catalog Number> (280)
S1405

>  <Synonyms> (280)
Norcuron, Org NC 45

>  <Target> (280)
Others

>  <Form> (280)
Bromide

>  <URL> (280)
http://www.selleckchem.com/products/Vecuronium-Bromide.html#

>  <CAS Number> (280)
50700-72-6

>  <Plate Location> (280)
c4

>  <Rack Number> (280)
L1700-04

$$$$
bimatoprost.cdx
csChFnd80/04011511122D

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 11 12  2  0  0  0  0
 13 12  1  1  0  0  0
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 17 18  1  1  0  0  0
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 23 24  1  0  0  0  0
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 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (281)
281

>  <Formula> (281)
C25H37NO4

>  <MolWeight> (281)
415.56558

>  <Item Name> (281)
Bimatoprost

>  <Catalog Number> (281)
S1407

>  <Synonyms> (281)
Lumigan

>  <Target> (281)
Others

>  <Form> (281)
Free Base

>  <URL> (281)
http://www.selleckchem.com/products/Bimatoprost.html

>  <CAS Number> (281)
155206-00-1

>  <Plate Location> (281)
d4

>  <Rack Number> (281)
L1700-04

$$$$
Linezolid.cdx
csChFnd80/04011511122D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
  3 14  1  0  0  0  0
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 18  7  1  0  0  0  0
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 22 23  1  0  0  0  0
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M  END
>  <Mol_ID> (282)
282

>  <Formula> (282)
C16H20FN3O4

>  <MolWeight> (282)
337.3461032

>  <Item Name> (282)
Linezolid (Zyvox)

>  <Catalog Number> (282)
S1408

>  <Synonyms> (282)
Zyvoxid, Zyvoxam

>  <Target> (282)
Others

>  <Form> (282)
Free Base

>  <URL> (282)
http://www.selleckchem.com/products/Linezolid(Zyvox).html

>  <CAS Number> (282)
165800-03-3

>  <Plate Location> (282)
e4

>  <Rack Number> (282)
L1700-04

$$$$
Alfuzosin HCl.cdx
csChFnd80/04011511122D

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.4207    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5198    5.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  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
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 21 22  1  0  0  0  0
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 21 24  2  0  0  0  0
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 27 28  1  0  0  0  0
 28 22  1  0  0  0  0
M  END
>  <Mol_ID> (283)
283

>  <Formula> (283)
C19H28ClN5O4

>  <MolWeight> (283)
425.90972

>  <Item Name> (283)
Alfuzosin hydrochloride (Uroxatral)

>  <Catalog Number> (283)
S1409

>  <Synonyms> (283)
Uroxatral

>  <Target> (283)
Adrenergic Receptor

>  <Form> (283)
Hydrochloride

>  <URL> (283)
http://www.selleckchem.com/products/Alfuzosin-hydrochloride.html

>  <CAS Number> (283)
81403-68-1

>  <Plate Location> (283)
f4

>  <Rack Number> (283)
L1700-04

$$$$
Clopidogrel bisulfate.cdx
csChFnd80/04011511122D

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.7976    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  6  9  1  0  0  0  0
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 11 12  1  0  0  0  0
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 14  8  1  0  0  0  0
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 17 13  1  0  0  0  0
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 18 19  2  0  0  0  0
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 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
M  END
>  <Mol_ID> (284)
284

>  <Formula> (284)
C16H18ClNO6S2

>  <MolWeight> (284)
419.90022

>  <Item Name> (284)
Clopidogrel (Plavix)

>  <Catalog Number> (284)
S1415

>  <Synonyms> (284)
Iscover 

>  <Target> (284)
P2 Receptor

>  <Form> (284)
Sulfate

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

>  <CAS Number> (284)
120202-66-6

>  <Plate Location> (284)
g4

>  <Rack Number> (284)
L1700-04

$$$$
Eltrombopag.cdx
csChFnd80/04011511122D

 33 36  0  0  0  0  0  0  0  0999 V2000
   11.3761    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3761    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5886    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4341    0.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (285)
285

>  <Formula> (285)
C25H22N4O4

>  <MolWeight> (285)
442.46658

>  <Item Name> (285)
Eltrombopag (SB-497115-GR)

>  <Catalog Number> (285)
S2229

>  <Synonyms> (285)
SB-497115-GR, Revolade, Promacta 

>  <Target> (285)
Others

>  <Form> (285)
Free Base

>  <URL> (285)
http://www.selleckchem.com/products/Eltrombopag-SB-497115-GR.html

>  <CAS Number> (285)
496775-61-2

>  <Plate Location> (285)
b7

>  <Rack Number> (285)
L1700-09

$$$$
5-Aminolevulinic acid hydrochloride.cdx
csChFnd80/04011511122D

 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
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  3  8  2  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (286)
286

>  <Formula> (286)
C5H10ClNO3

>  <MolWeight> (286)
167.5908

>  <Item Name> (286)
5-Aminolevulinic acid hydrochloride

>  <Catalog Number> (286)
S2553

>  <Synonyms> (286)
Levulan, ALA

>  <Target> (286)
Others

>  <Form> (286)
Hydrochloride

>  <URL> (286)
http://www.selleckchem.com/products/5-Aminolevulinic-acid-hydrochloride.html

>  <CAS Number> (286)
5451-09-2

>  <Plate Location> (286)
f2

>  <Rack Number> (286)
L1700-12

$$$$
Droxinostat.cdx
csChFnd80/04011511122D

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    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (287)
287

>  <Formula> (287)
C11H14ClNO3

>  <MolWeight> (287)
243.68676

>  <Item Name> (287)
Droxinostat

>  <Catalog Number> (287)
S1422

>  <Synonyms> (287)
N/A

>  <Target> (287)
HDAC 

>  <Form> (287)
Free Base

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

>  <CAS Number> (287)
99873-43-5

>  <Plate Location> (287)
h4

>  <Rack Number> (287)
L1700-04

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/04011511122D

 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
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    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
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   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
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   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
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   16.2948    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   10.0878    3.4964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  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
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 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
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 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> (288)
288

>  <Formula> (288)
C24H35Cl2N3O4

>  <MolWeight> (288)
500.4584

>  <Item Name> (288)
Ranolazine dihydrochloride

>  <Catalog Number> (288)
S1425

>  <Synonyms> (288)
RS 43285-193, RS-43285, Ranexa, renolazine 

>  <Target> (288)
Calcium Channel

>  <Form> (288)
Dihydrochloride

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

>  <CAS Number> (288)
95635-56-6

>  <Plate Location> (288)
a5

>  <Rack Number> (288)
L1700-04

$$$$
Repaglinide.cdx
csChFnd80/04011511122D

 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
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    2.4165    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5156    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2549    8.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
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 14 15  1  0  0  0  0
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 23 24  1  0  0  0  0
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 27 28  1  0  0  0  0
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 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> (289)
289

>  <Formula> (289)
C27H36N2O4

>  <MolWeight> (289)
452.58574

>  <Item Name> (289)
Repaglinide

>  <Catalog Number> (289)
S1426

>  <Synonyms> (289)
Prandin, GlucoNorm, NovoNorm

>  <Target> (289)
Potassium Channel

>  <Form> (289)
Free Base

>  <URL> (289)
http://www.selleckchem.com/products/Repaglinide.html

>  <CAS Number> (289)
135062-02-1

>  <Plate Location> (289)
b5

>  <Rack Number> (289)
L1700-04

$$$$
Rolipram.cdx
csChFnd80/04011511122D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 13  7  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17  9  1  0  0  0  0
 12 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (290)
290

>  <Formula> (290)
C16H21NO3

>  <MolWeight> (290)
275.34284

>  <Item Name> (290)
Rolipram

>  <Catalog Number> (290)
S1430

>  <Synonyms> (290)
N/A

>  <Target> (290)
PDE

>  <Form> (290)
Free Base

>  <URL> (290)
http://www.selleckchem.com/products/Rolipram.html

>  <CAS Number> (290)
61413-54-5

>  <Plate Location> (290)
c5

>  <Rack Number> (290)
L1700-04

$$$$
A 922500.cdx
csChFnd80/04011511122D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    4.8413    2.0951    0.0000 O   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
    9.6827    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    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
   12.1033    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.8976    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
   14.5240    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8785    2.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2479    2.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9479    3.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0112    4.7670    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3012    6.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6281    6.5628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2644    7.0652    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
  8 11  2  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
 14 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  2  0  0  0  0
 25 23  1  1  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 25  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C26H24N2O4

>  <MolWeight> (291)
428.47976

>  <Item Name> (291)
A 922500

>  <Catalog Number> (291)
S2674

>  <Synonyms> (291)
N/A

>  <Target> (291)
Diacylglycerol Acyltransferase 1

>  <Form> (291)
Free Base

>  <URL> (291)
http://www.selleckchem.com/products/a-922500.html

>  <CAS Number> (291)
959122-11-3

>  <Plate Location> (291)
c1

>  <Rack Number> (291)
L1700-13

$$$$
Sildenafil citrate.cdx
csChFnd80/04011511122D

 46 48  0  0  0  0  0  0  0  0999 V2000
    4.0082    9.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0082    8.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2207    7.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4331    8.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4331    9.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2207   10.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   10.5995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    9.3871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   11.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5876   11.2995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    9.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.9622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    8.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    5.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6413    7.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8496    8.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0578    7.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6413   10.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8538    9.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0662   10.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0662   11.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8538   12.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6413   11.9995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8538   14.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3977   10.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2206   11.2995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3977   12.4321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8288   13.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8288    8.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1935    8.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6246    7.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5957    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8081    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0163    2.4231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3874    3.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0874    4.3307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3975    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0975    5.3206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0143    3.9261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0841    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1768    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8081    4.5158    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  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  8  1  0  0  0  0
 13 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
  5 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 24 26  2  0  0  0  0
 22 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 23  1  0  0  0  0
 29 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 38 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 35 46  2  0  0  0  0
M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C28H38N6O11S

>  <MolWeight> (292)
666.69992

>  <Item Name> (292)
Sildenafil citrate

>  <Catalog Number> (292)
S1431

>  <Synonyms> (292)
Viagra, Revatio 

>  <Target> (292)
PDE

>  <Form> (292)
Citrate

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

>  <CAS Number> (292)
171599-83-0

>  <Plate Location> (292)
d5

>  <Rack Number> (292)
L1700-04

$$$$

csChFnd80/04011511122D

 28 28  0  0  0  0  0  0  0  0999 V2000
    7.6498   -7.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -8.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8665   -9.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0832   -8.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0832   -7.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8665   -6.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4193   -9.0677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2450   -7.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4193   -6.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8519   -5.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2213   -5.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6539   -3.8405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0233   -3.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7171   -2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4374   -6.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -7.2287    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -6.5287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -8.6287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -5.8287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001   -7.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5479   -7.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7645   -7.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9770   -7.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1894   -7.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4018   -7.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6143   -7.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4018   -9.2768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7645   -5.7768    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
  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
  1 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
 16 19  2  0  0  0  0
 17 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
 25 27  2  0  0  0  0
 22 28  2  0  0  0  0
M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C18H27N3O6S

>  <MolWeight> (293)
413.48848

>  <Item Name> (293)
Sumatriptan succinate

>  <Catalog Number> (293)
S1432

>  <Synonyms> (293)
Imigran, mitrex, Imitrex, Suminat, Sumitrex

>  <Target> (293)
5-HT Receptor

>  <Form> (293)
Succinate

>  <URL> (293)
http://www.selleckchem.com/products/Sumatriptan-succinate.html

>  <CAS Number> (293)
103628-48-4

>  <Plate Location> (293)
e5

>  <Rack Number> (293)
L1700-04

$$$$
Tianeptine sodium salt.cdx
csChFnd80/04011511122D

 30 31  0  0  0  0  0  0  0  0999 V2000
    7.8404   10.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8404    9.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9349    8.4457    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2998    8.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9073   10.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2998   11.2799    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9349   11.5915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0885    7.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4846    7.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0920    8.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3034   10.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245   12.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2998   12.6799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6521   11.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6279   11.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155   10.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155    9.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6279    8.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    7.0855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2913    6.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9809    5.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6477    4.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3373    3.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0041    3.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937    1.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378    2.3091    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8964    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   14.4832    9.0707    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  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  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  5  2  0  0  0  0
  7 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  2  0  0  0  0
  1 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  2  1  0  0  0  0
  3 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
 26 28  1  0  0  0  0
 10 30  1  0  0  0  0
M  END
>  <Mol_ID> (294)
294

>  <Formula> (294)
C21H24ClN2NaO4S

>  <MolWeight> (294)
458.93403

>  <Item Name> (294)
Tianeptine sodium

>  <Catalog Number> (294)
S1436

>  <Synonyms> (294)
Stablon, Coaxil, Tatinol

>  <Target> (294)
5-HT Receptor

>  <Form> (294)
Sodium Salt

>  <URL> (294)
http://www.selleckchem.com/products/Tianeptine-sodium-salt.html

>  <CAS Number> (294)
30123-17-2

>  <Plate Location> (294)
f5

>  <Rack Number> (294)
L1700-04

$$$$
Topiramate.cdx
csChFnd80/04011511122D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.7240    3.0357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4240    1.8233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8240    1.8233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5240    3.0357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8240    4.2481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5139    4.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7608    0.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0397    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8934    2.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4021    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8615    3.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    4.6511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1956    4.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    6.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    3.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546    2.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4872    0.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (295)
295

>  <Formula> (295)
C12H21NO8S

>  <MolWeight> (295)
339.36204

>  <Item Name> (295)
Topiramate

>  <Catalog Number> (295)
S1438

>  <Synonyms> (295)
Topamax

>  <Target> (295)
Carbonic Anhydrase

>  <Form> (295)
Free Base

>  <URL> (295)
http://www.selleckchem.com/products/Topiramate.html

>  <CAS Number> (295)
97240-79-4

>  <Plate Location> (295)
h5

>  <Rack Number> (295)
L1700-04

$$$$
Tranilast.cdx
csChFnd80/04011511122D

 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> (296)
296

>  <Formula> (296)
C18H17NO5

>  <MolWeight> (296)
327.33128

>  <Item Name> (296)
Tranilast (SB 252218)

>  <Catalog Number> (296)
S1439

>  <Synonyms> (296)
Rizaben, MK 341, Tranpro

>  <Target> (296)
Others

>  <Form> (296)
Free Base

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

>  <CAS Number> (296)
53902-12-8
53902-12-8

>  <Plate Location> (296)
a6

>  <Rack Number> (296)
L1700-04

$$$$
Venlafaxine hydrochloride.cdx
csChFnd80/04011511122D

 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
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    6.8571    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6446    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4322    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2358    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (297)
297

>  <Formula> (297)
C17H28ClNO2

>  <MolWeight> (297)
313.86272

>  <Item Name> (297)
Venlafaxine

>  <Catalog Number> (297)
S1441

>  <Synonyms> (297)
Effexor, Efexor 

>  <Target> (297)
5-HT Receptor

>  <Form> (297)
Hydrochloride

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

>  <CAS Number> (297)
99300-78-4

>  <Plate Location> (297)
b6

>  <Rack Number> (297)
L1700-04

$$$$
Voriconazole.cdx
csChFnd80/04011511122D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.8000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    4.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    4.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1000    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    4.8413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9879    4.8413    0.0000 F   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> (298)
298

>  <Formula> (298)
C16H14F3N5O

>  <MolWeight> (298)
349.3104696

>  <Item Name> (298)
Voriconazole

>  <Catalog Number> (298)
S1442

>  <Synonyms> (298)
Vfend

>  <Target> (298)
P450

>  <Form> (298)
Free Base

>  <URL> (298)
http://www.selleckchem.com/products/Voriconazole.html

>  <CAS Number> (298)
137234-62-9

>  <Plate Location> (298)
c6

>  <Rack Number> (298)
L1700-04

$$$$
Zileuton.cdx
csChFnd80/04011511122D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6720    2.6082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7647    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7647    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (299)
299

>  <Formula> (299)
C11H12N2O2S

>  <MolWeight> (299)
236.29018

>  <Item Name> (299)
Zileuton

>  <Catalog Number> (299)
S1443

>  <Synonyms> (299)
ZYFLO

>  <Target> (299)
Others

>  <Form> (299)
Free Base

>  <URL> (299)
http://www.selleckchem.com/products/Zileuton.html

>  <CAS Number> (299)
111406-87-2

>  <Plate Location> (299)
d6

>  <Rack Number> (299)
L1700-04

$$$$
Ziprasidone hydrochloride.cdx
csChFnd80/04011511122D

 29 32  0  0  0  0  0  0  0  0999 V2000
   13.3575    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1575    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4575    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0575    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8901    3.7563    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7575    4.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6248    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2934    4.1890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (300)
300

>  <Formula> (300)
C21H22Cl2N4OS

>  <MolWeight> (300)
449.39658

>  <Item Name> (300)
Ziprasidone hydrochloride

>  <Catalog Number> (300)
S1444

>  <Synonyms> (300)
Geodon, Zeldox

>  <Target> (300)
Others

>  <Form> (300)
Hydrochloride

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

>  <CAS Number> (300)
122883-93-6

>  <Plate Location> (300)
e6

>  <Rack Number> (300)
L1700-04

$$$$
Zonisamide.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (301)
301

>  <Formula> (301)
C8H8N2O3S

>  <MolWeight> (301)
212.22572

>  <Item Name> (301)
Zonisamide

>  <Catalog Number> (301)
S1445

>  <Synonyms> (301)
Zonegran

>  <Target> (301)
Others

>  <Form> (301)
Free Base

>  <URL> (301)
http://www.selleckchem.com/products/Zonisamide.html

>  <CAS Number> (301)
68291-97-4

>  <Plate Location> (301)
f6

>  <Rack Number> (301)
L1700-04

$$$$
Nanchangmycin.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (302)
302

>  <Formula> (302)
C47H77NaO14

>  <MolWeight> (302)
889.09565

>  <Item Name> (302)
Nanchangmycin

>  <Catalog Number> (302)
S1450

>  <Synonyms> (302)
N/A

>  <Target> (302)
Others

>  <Form> (302)
Free Base

>  <URL> (302)
http://www.selleckchem.com/products/Nanchangmycin.html

>  <CAS Number> (302)
65101-87-3

>  <Plate Location> (302)
g6

>  <Rack Number> (302)
L1700-04

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (303)
303

>  <Formula> (303)
C31H31ClFN7O2

>  <MolWeight> (303)
588.0749432

>  <Item Name> (303)
Aurora A Inhibitor I

>  <Catalog Number> (303)
S1451

>  <Synonyms> (303)
N/A

>  <Target> (303)
Aurora Kinase

>  <Form> (303)
Free Base

>  <URL> (303)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

>  <CAS Number> (303)
1158838-45-9

>  <Plate Location> (303)
h6

>  <Rack Number> (303)
L1700-04

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (304)
304

>  <Formula> (304)
C30H33ClN4O2

>  <MolWeight> (304)
517.06162

>  <Item Name> (304)
Ispinesib (SB-715992)

>  <Catalog Number> (304)
S1452

>  <Synonyms> (304)
N/A 

>  <Target> (304)
Kinesin

>  <Form> (304)
Free Base

>  <URL> (304)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

>  <CAS Number> (304)
336113-53-2

>  <Plate Location> (304)
a7

>  <Rack Number> (304)
L1700-04

$$$$
Tipifarnib.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (305)
305

>  <Formula> (305)
C27H22Cl2N4O

>  <MolWeight> (305)
489.39578

>  <Item Name> (305)
Tipifarnib (Zarnestra)

>  <Catalog Number> (305)
S1453

>  <Synonyms> (305)
R115777

>  <Target> (305)
Farnesyltransferase, Ras

>  <Form> (305)
Free Base

>  <URL> (305)
http://www.selleckchem.com/products/Tipifarnib(R115777).html

>  <CAS Number> (305)
192185-72-1

>  <Plate Location> (305)
b7

>  <Rack Number> (305)
L1700-04

$$$$
PHA-6806320.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (306)
306

>  <Formula> (306)
C28H35N7O2

>  <MolWeight> (306)
501.6232

>  <Item Name> (306)
PHA-680632

>  <Catalog Number> (306)
S1454

>  <Synonyms> (306)
N/A

>  <Target> (306)
Aurora Kinase

>  <Form> (306)
Free Base

>  <URL> (306)
http://www.selleckchem.com/products/PHA-680632.html

>  <CAS Number> (306)
398493-79-3

>  <Plate Location> (306)
c7

>  <Rack Number> (306)
L1700-04

$$$$
SB207499.cdx
csChFnd80/04011511122D

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Free Base

>  <URL> (311)
http://www.selleckchem.com/products/fg-4592.html

>  <CAS Number> (311)
808118-40-3

>  <Plate Location> (311)
g1

>  <Rack Number> (311)
L1700-01

$$$$
Calcitriol .cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C27H44O3

>  <MolWeight> (312)
416.63646

>  <Item Name> (312)
Calcitriol (Rocaltrol)

>  <Catalog Number> (312)
S1466

>  <Synonyms> (312)
Calcijex, Silkis, Rocaltrol, Topitriol, Cholecalciferol 

>  <Target> (312)
Others

>  <Form> (312)
Free Base

>  <URL> (312)
http://www.selleckchem.com/products/Calcitriol-(Rocaltrol).html

>  <CAS Number> (312)
32222-06-3

>  <Plate Location> (312)
d8

>  <Rack Number> (312)
L1700-04

$$$$
Doxercalciferol.cdx
csChFnd80/04011511122D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C28H44O2

>  <MolWeight> (313)
412.64776

>  <Item Name> (313)
Doxercalciferol (Hectorol)

>  <Catalog Number> (313)
S1467

>  <Synonyms> (313)
Hectorol

>  <Target> (313)
Others

>  <Form> (313)
Free Base

>  <URL> (313)
http://www.selleckchem.com/products/Doxercalciferol(Hectorol).html

>  <CAS Number> (313)
54573-75-0

>  <Plate Location> (313)
e8

>  <Rack Number> (313)
L1700-04

$$$$
Alfacalcidol.cdx
csChFnd80/04011511122D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (314)
314

>  <Formula> (314)
C27H44O2

>  <MolWeight> (314)
400.63706

>  <Item Name> (314)
Alfacalcidol

>  <Catalog Number> (314)
S1468

>  <Synonyms> (314)
Alpha D3, Etalpha

>  <Target> (314)
Others

>  <Form> (314)
Free Base

>  <URL> (314)
http://www.selleckchem.com/products/Alfacalcidol.html

>  <CAS Number> (314)
41294-56-8

>  <Plate Location> (314)
f8

>  <Rack Number> (314)
L1700-04

$$$$
Moxifloxacin hydrochloride.cdx
csChFnd80/04011511122D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (315)
315

>  <Formula> (315)
C21H25ClFN3O4

>  <MolWeight> (315)
437.8923032

>  <Item Name> (315)
Moxifloxacin hydrochloride

>  <Catalog Number> (315)
S1465

>  <Synonyms> (315)
Avelox, Avalox

>  <Target> (315)
Topoisomerase

>  <Form> (315)
Hydrochloride

>  <URL> (315)
http://www.selleckchem.com/products/Moxifloxacin.html

>  <CAS Number> (315)
186826-86-8

>  <Plate Location> (315)
c8

>  <Rack Number> (315)
L1700-04

$$$$
Cyclamic acid.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (316)
316

>  <Formula> (316)
C6H13NO3S

>  <MolWeight> (316)
179.23732

>  <Item Name> (316)
Cyclamic acid

>  <Catalog Number> (316)
S4015

>  <Synonyms> (316)
N/A

>  <Target> (316)
Others

>  <Form> (316)
Free Base

>  <URL> (316)
http://www.selleckchem.com/products/cyclamic-acid.html

>  <CAS Number> (316)
100-88-9

>  <Plate Location> (316)
f5

>  <Rack Number> (316)
L1700-16

$$$$
TSU-68 (SU6668).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (317)
317

>  <Formula> (317)
C18H18N2O3

>  <MolWeight> (317)
310.34712

>  <Item Name> (317)
TSU-68

>  <Catalog Number> (317)
S1470

>  <Synonyms> (317)
SU6668

>  <Target> (317)
VEGFR, PDGFR , FGFR 

>  <Form> (317)
Free Base

>  <URL> (317)
http://www.selleckchem.com/products/TSU-68(SU6668).html

>  <CAS Number> (317)
252916-29-3

>  <Plate Location> (317)
h8

>  <Rack Number> (317)
L1700-04

$$$$
FCE28073.cdx
csChFnd80/04011511122D

 27 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (318)
318

>  <Formula> (318)
C18H23FN2O5S

>  <MolWeight> (318)
398.4490232

>  <Item Name> (318)
Safinamide Mesylate (FCE28073)

>  <Catalog Number> (318)
S1472

>  <Synonyms> (318)
FCE-28073(R-isomer), PNU-151774E, NW-1015 

>  <Target> (318)
MAO

>  <Form> (318)
Mesylate

>  <URL> (318)
http://www.selleckchem.com/products/Safinamide-mesilate.html

>  <CAS Number> (318)
202825-46-5

>  <Plate Location> (318)
a9

>  <Rack Number> (318)
L1700-04

$$$$
GSK429286A.cdx
csChFnd80/04011511122D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C21H16F4N4O2

>  <MolWeight> (319)
432.3709528

>  <Item Name> (319)
GSK429286A

>  <Catalog Number> (319)
S1474

>  <Synonyms> (319)
N/A

>  <Target> (319)
ROCK 

>  <Form> (319)
Free Base

>  <URL> (319)
http://www.selleckchem.com/products/GSK429286A.html

>  <CAS Number> (319)
864082-47-3

>  <Plate Location> (319)
b9

>  <Rack Number> (319)
L1700-04

$$$$
AS-703026.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (320)
320

>  <Formula> (320)
C15H15FIN3O3

>  <MolWeight> (320)
431.2007732

>  <Item Name> (320)
AS703026

>  <Catalog Number> (320)
S1475

>  <Synonyms> (320)
N/A

>  <Target> (320)
MEK 

>  <Form> (320)
Free Base

>  <URL> (320)
http://www.selleckchem.com/products/AS703026.html

>  <CAS Number> (320)
1236699-92-5

>  <Plate Location> (320)
c9

>  <Rack Number> (320)
L1700-04

$$$$
SB525334.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (321)
321

>  <Formula> (321)
C21H21N5

>  <MolWeight> (321)
343.42494

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S1476

>  <Synonyms> (321)
N/A

>  <Target> (321)
TGF-beta/Smad

>  <Form> (321)
Free Base

>  <URL> (321)
http://www.selleckchem.com/products/SB-525334.html

>  <CAS Number> (321)
356559-20-1

>  <Plate Location> (321)
d9

>  <Rack Number> (321)
L1700-04

$$$$
Oligomycin A.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (322)
322

>  <Formula> (322)
C45H74O11

>  <MolWeight> (322)
791.06246

>  <Item Name> (322)
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>  <Catalog Number> (322)
S1478

>  <Synonyms> (322)
BRN 5702132, RP-32705

>  <Target> (322)
ATPase

>  <Form> (322)
Free Base

>  <URL> (322)
http://www.selleckchem.com/products/Oligomycin-A.html

>  <CAS Number> (322)
579-13-5

>  <Plate Location> (322)
e9

>  <Rack Number> (322)
L1700-04

$$$$
VX-222.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (323)
323

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HCV Protease

>  <Form> (323)
Free Base

>  <URL> (323)
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>  <CAS Number> (323)
1026785-55-6

>  <Plate Location> (323)
f9

>  <Rack Number> (323)
L1700-04

$$$$
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324

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C32H34Cl3F2N3O2

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636.9870664

>  <Item Name> (324)
LY335979 (Zosuquidar trihydrochloride)

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S1481

>  <Synonyms> (324)
RS-33295-198

>  <Target> (324)
P-gp

>  <Form> (324)
Hydrochloride

>  <URL> (324)
http://www.selleckchem.com/products/LY335979.html

>  <CAS Number> (324)
167465-36-3

>  <Plate Location> (324)
g9

>  <Rack Number> (324)
L1700-04

$$$$
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>  <Mol_ID> (325)
325

>  <Formula> (325)
C40H50N8O6

>  <MolWeight> (325)
738.875

>  <Item Name> (325)
Daclatasvir (BMS-790052)

>  <Catalog Number> (325)
S1482

>  <Synonyms> (325)
N/A

>  <Target> (325)
HCV Protease

>  <Form> (325)
Free Base

>  <URL> (325)
http://www.selleckchem.com/products/BMS-790052.html

>  <CAS Number> (325)
1009119-64-5

>  <Plate Location> (325)
h9

>  <Rack Number> (325)
L1700-04

$$$$
Iloperidone.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (326)
326

>  <Formula> (326)
C24H27FN2O4

>  <MolWeight> (326)
426.4805832

>  <Item Name> (326)
Iloperidone (Fanapt)

>  <Catalog Number> (326)
S1483

>  <Synonyms> (326)
Fanapta, Zomaril 

>  <Target> (326)
Others

>  <Form> (326)
Free Base

>  <URL> (326)
http://www.selleckchem.com/products/Iloperidone(Fanapt).html

>  <CAS Number> (326)
133454-47-4

>  <Plate Location> (326)
a10

>  <Rack Number> (326)
L1700-04

$$$$
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>  <Formula> (327)
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HDAC 

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852475-26-4

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b10

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L1700-04

$$$$
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csChFnd80/04011511122D

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328

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C22H20N2O5S

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HMN-214

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S1485

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N/A

>  <Target> (328)
PLK 

>  <Form> (328)
Free Base

>  <URL> (328)
http://www.selleckchem.com/products/HMN-214.html

>  <CAS Number> (328)
173529-46-9 

>  <Plate Location> (328)
c10

>  <Rack Number> (328)
L1700-04

$$$$
AEE-788.cdx
csChFnd80/04011511122D

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329

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N/A 

>  <Target> (329)
EGFR, Flt, VEGFR, HER2

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>  <URL> (329)
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>  <CAS Number> (329)
497839-62-0

>  <Plate Location> (329)
d10

>  <Rack Number> (329)
L1700-04

$$$$
PHA-793887.cdx
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>  <Mol_ID> (330)
330

>  <Formula> (330)
C19H31N5O2

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PHA-793887

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S1487

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N/A

>  <Target> (330)
CDK

>  <Form> (330)
Free Base

>  <URL> (330)
http://www.selleckchem.com/products/PHA-793887.html

>  <CAS Number> (330)
718630-59-2

>  <Plate Location> (330)
e10

>  <Rack Number> (330)
L1700-04

$$$$
Naratriptan Hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (331)
331

>  <Formula> (331)
C17H26ClN3O2S

>  <MolWeight> (331)
371.92524

>  <Item Name> (331)
Naratriptan HCl

>  <Catalog Number> (331)
S1488 

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Amerge, Naramig

>  <Target> (331)
5-HT Receptor

>  <Form> (331)
Free Base

>  <URL> (331)
http://www.selleckchem.com/products/Naratriptan(Amerge).html

>  <CAS Number> (331)
143388-64-1

>  <Plate Location> (331)
f10

>  <Rack Number> (331)
L1700-04

$$$$

csChFnd80/04011511122D

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332

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389.87754

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PIK-93

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S1489

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N/A

>  <Target> (332)
PI3K, VEGFR

>  <Form> (332)
Free Base

>  <URL> (332)
http://www.selleckchem.com/products/PIK-93.html

>  <CAS Number> (332)
593960-11-3

>  <Plate Location> (332)
g10

>  <Rack Number> (332)
L1700-04

$$$$
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csChFnd80/04011511122D

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Ponatinib (AP24534)

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S1490

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N/A 

>  <Target> (333)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (333)
Free Base

>  <URL> (333)
http://www.selleckchem.com/products/AP24534.html

>  <CAS Number> (333)
943319-70-8

>  <Plate Location> (333)
h10

>  <Rack Number> (333)
L1700-04

$$$$
LY2228820.cdx
csChFnd80/04011511122D

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334

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>  <MolWeight> (334)
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>  <Item Name> (334)
LY2228820

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S1494

>  <Synonyms> (334)
N/A

>  <Target> (334)
p38 MAPK

>  <Form> (334)
Mesylate

>  <URL> (334)
http://www.selleckchem.com/products/LY2228820.html

>  <CAS Number> (334)
862507-23-1

>  <Plate Location> (334)
a11

>  <Rack Number> (334)
L1700-04

$$$$
CELESTONE (betamethasone).cdx
csChFnd80/04011511122D

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 27 29  1  0  0  0  0
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M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C22H29FO5

>  <MolWeight> (335)
392.4610632

>  <Item Name> (335)
Betamethasone (Celestone)

>  <Catalog Number> (335)
S1500

>  <Synonyms> (335)
Celestone, Betadexamethasone, Flubenisolone, Sch-4831, NCS-39470 

>  <Target> (335)
Others

>  <Form> (335)
Free Base

>  <URL> (335)
http://www.selleckchem.com/products/Betamethasone-(Celestone).html

>  <CAS Number> (335)
378-44-9

>  <Plate Location> (335)
c11

>  <Rack Number> (335)
L1700-04

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/04011511122D

 31 33  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
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   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
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  7 13  2  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C23H31NO7

>  <MolWeight> (336)
433.49474

>  <Item Name> (336)
Mycophenolate mofetil (CellCept)

>  <Catalog Number> (336)
S1501

>  <Synonyms> (336)
CellCept, RS 61443, TM-MMF

>  <Target> (336)
Others

>  <Form> (336)
Free Base

>  <URL> (336)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

>  <CAS Number> (336)
128794-94-5

>  <Plate Location> (336)
d11

>  <Rack Number> (336)
L1700-04

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/04011511122D

 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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    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
 14 15  1  0  0  0  0
 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> (337)
337

>  <Formula> (337)
C10H14N4O4

>  <MolWeight> (337)
254.24256

>  <Item Name> (337)
Dyphylline (Dilor)

>  <Catalog Number> (337)
S1504

>  <Synonyms> (337)
Neothylline, Lufyllin, diprophylline

>  <Target> (337)
PDE

>  <Form> (337)
Free Base

>  <URL> (337)
http://www.selleckchem.com/products/Dyphylline(Dilor).html

>  <CAS Number> (337)
479-18-5

>  <Plate Location> (337)
f11

>  <Rack Number> (337)
L1700-04

$$$$
AZACTAM (aztreonam).cdx
csChFnd80/04011511122D

 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
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 15  5  1  0  0  0  0
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 18 19  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> (338)
338

>  <Formula> (338)
C13H17N5O8S2

>  <MolWeight> (338)
435.43278

>  <Item Name> (338)
Aztreonam (Azactam, Cayston)

>  <Catalog Number> (338)
S1505

>  <Synonyms> (338)
Monobactam, SQ 26776, Squibb 26776 

>  <Target> (338)
Others

>  <Form> (338)
Free Base

>  <URL> (338)
http://www.selleckchem.com/products/Aztreonam(Azactam).html

>  <CAS Number> (338)
78110-38-0

>  <Plate Location> (338)
g11

>  <Rack Number> (338)
L1700-04

$$$$
CIALIS (tadalafil).cdx
csChFnd80/04011511122D

 30 35  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.8157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C22H19N3O4

>  <MolWeight> (339)
389.40396

>  <Item Name> (339)
Tadalafil (Cialis)

>  <Catalog Number> (339)
S1512

>  <Synonyms> (339)
IC 351

>  <Target> (339)
PDE

>  <Form> (339)
Free Base

>  <URL> (339)
http://www.selleckchem.com/products/Tadalafil(Cialis).html

>  <CAS Number> (339)
171596-29-5

>  <Plate Location> (339)
a1

>  <Rack Number> (339)
L1700-05

$$$$
NEORAL (cyclosporine).cdx
csChFnd80/04011511122D

 85 85  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (340)
340

>  <Formula> (340)
C62H111N11O12

>  <MolWeight> (340)
1202.61124

>  <Item Name> (340)
Cyclosporine (Neoral)

>  <Catalog Number> (340)
S1514

>  <Synonyms> (340)
Sandimmune, Gengraf, Restasis, Atopica, Sangcya 

>  <Target> (340)
Others

>  <Form> (340)
Free Base

>  <URL> (340)
http://www.selleckchem.com/products/Cyclosporine.html

>  <CAS Number> (340)
79217-60-0

>  <Plate Location> (340)
b1

>  <Rack Number> (340)
L1700-05

$$$$
SB 939.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (341)
341

>  <Formula> (341)
C20H30N4O2

>  <MolWeight> (341)
358.4778

>  <Item Name> (341)
SB939 (Pracinostat)

>  <Catalog Number> (341)
S1515

>  <Synonyms> (341)
N/A 

>  <Target> (341)
HDAC

>  <Form> (341)
Free Base

>  <URL> (341)
http://www.selleckchem.com/products/SB939.html

>  <CAS Number> (341)
929016-96-6

>  <Plate Location> (341)
c1

>  <Rack Number> (341)
L1700-05

$$$$
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Flt

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a2

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Proton Pump

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13463-41-7

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d11

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L1700-16

$$$$
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Aurora Kinase

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422513-13-1

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c2

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L1700-05

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M  END
>  <Mol_ID> (350)
350

>  <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

>  <Plate Location> (350)
d2

>  <Rack Number> (350)
L1700-05

$$$$
BIX02189.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (351)
351

>  <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

>  <Plate Location> (351)
e2

>  <Rack Number> (351)
L1700-05

$$$$
Milnacipran hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C15H23ClN2O

>  <MolWeight> (352)
282.80892

>  <Item Name> (352)
Milnacipran HCl

>  <Catalog Number> (352)
S3140

>  <Synonyms> (352)
N/A

>  <Target> (352)
Others

>  <Form> (352)
HCl

>  <URL> (352)
http://www.selleckchem.com/products/milnacipran-hydrochloride.html

>  <CAS Number> (352)
101152-94-7

>  <Plate Location> (352)
g9

>  <Rack Number> (352)
L1700-15

$$$$
Darifenacin hydrobromide.cdx
csChFnd80/04011511122D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (353)
353

>  <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

>  <Plate Location> (353)
h9

>  <Rack Number> (353)
L1700-15

$$$$
Tripelennamine hydrochloride.cdx
csChFnd80/04011511122D

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Chk

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Syk 

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841290-80-0

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g2

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M  END
>  <Mol_ID> (360)
360

>  <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

>  <Plate Location> (360)
a4

>  <Rack Number> (360)
L1700-05

$$$$
Pimobendan.cdx
csChFnd80/04011511122D

 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
  3  4  2  0  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  1  0  0  0  0
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  6 10  1  0  0  0  0
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 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (361)
361

>  <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

>  <Plate Location> (361)
c4

>  <Rack Number> (361)
L1700-05

$$$$
ABELCET (amphotericin b).cdx
csChFnd80/04011511122D

 67 69  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C47H73NO17

>  <MolWeight> (362)
924.07902

>  <Item Name> (362)
Amphotericin B

>  <Catalog Number> (362)
S1636

>  <Synonyms> (362)
N/A

>  <Target> (362)
Others

>  <Form> (362)
Free Base

>  <URL> (362)
http://www.selleckchem.com/products/Amphotericin-B(Abelcet).

>  <CAS Number> (362)
1397-89-3

>  <Plate Location> (362)
d10

>  <Rack Number> (362)
L1700-05

$$$$
Azelastine hydrochloride.cdx
csChFnd80/04011511122D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (363)
363

>  <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

>  <Plate Location> (363)
e2

>  <Rack Number> (363)
L1700-12

$$$$
Clarithromycin.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (364)
364

>  <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

>  <Plate Location> (364)
h2

>  <Rack Number> (364)
L1700-12

$$$$
AZD 8055.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C25H31N5O4

>  <MolWeight> (365)
465.54474

>  <Item Name> (365)
AZD8055

>  <Catalog Number> (365)
S1555

>  <Synonyms> (365)
N/A 

>  <Target> (365)
mTOR

>  <Form> (365)
Free Base

>  <URL> (365)
http://www.selleckchem.com/products/AZD8055.html

>  <CAS Number> (365)
1009298-09-2

>  <Plate Location> (365)
d4

>  <Rack Number> (365)
L1700-05

$$$$
EX527.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C13H13ClN2O

>  <MolWeight> (366)
248.70812

>  <Item Name> (366)
EX 527

>  <Catalog Number> (366)
S1541

>  <Synonyms> (366)
SEN0014196

>  <Target> (366)
Sirtuin

>  <Form> (366)
Free Base

>  <URL> (366)
http://www.selleckchem.com/products/EX-527.html

>  <CAS Number> (366)
49843-98-3

>  <Plate Location> (366)
e3

>  <Rack Number> (366)
L1700-05

$$$$
PHT-427.cdx
csChFnd80/04011511122D

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N/A 

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Akt, PDK-1

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Free Base

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1191951-57-1

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e4

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L1700-05

$$$$
Ampicillin sodium.cdx
csChFnd80/04011511122D

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368

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>  <Item Name> (368)
Ampicillin sodium

>  <Catalog Number> (368)
S3170

>  <Synonyms> (368)
N/A 

>  <Target> (368)
Others

>  <Form> (368)
Sodium

>  <URL> (368)
http://www.selleckchem.com/products/ampicillin-sodium.html

>  <CAS Number> (368)
69-52-3

>  <Plate Location> (368)
e11

>  <Rack Number> (368)
L1700-15

$$$$
KRN633.cdx
csChFnd80/04011511122D

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369

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S1557

>  <Synonyms> (369)
N/A 

>  <Target> (369)
VEGFR, PDGFR

>  <Form> (369)
Free Base

>  <URL> (369)
http://www.selleckchem.com/products/KRN-633.html

>  <CAS Number> (369)
286370-15-8

>  <Plate Location> (369)
f4

>  <Rack Number> (369)
L1700-05

$$$$
AT7867.cdx
csChFnd80/04011511122D

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>  <Target> (370)
Akt, S6 kinase

>  <Form> (370)
Free Base

>  <URL> (370)
http://www.selleckchem.com/products/AT7867.html

>  <CAS Number> (370)
857531-00-1

>  <Plate Location> (370)
g4

>  <Rack Number> (370)
L1700-05

$$$$
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c-Met

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L1700-05

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TNF-alpha, COX

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19171-19-8

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b5

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MEK 

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391210-00-7 

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c5

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L1700-05

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csChFnd80/04011511122D

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Tazorac, Avage, Zora

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Others

>  <Form> (375)
Free Base

>  <URL> (375)
http://www.selleckchem.com/products/Tazarotene(Avage).html

>  <CAS Number> (375)
118292-40-3

>  <Plate Location> (375)
d5

>  <Rack Number> (375)
L1700-05

$$$$
KU-60019.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C30H33N3O5S

>  <MolWeight> (376)
547.66512

>  <Item Name> (376)
KU-60019

>  <Catalog Number> (376)
S1570

>  <Synonyms> (376)
N/A

>  <Target> (376)
ATM 

>  <Form> (376)
Free Base

>  <URL> (376)
http://www.selleckchem.com/products/KU-60019.html

>  <CAS Number> (376)
925701-49-1

>  <Plate Location> (376)
e5

>  <Rack Number> (376)
L1700-05

$$$$
BS-181.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C22H33ClN6

>  <MolWeight> (377)
416.99062

>  <Item Name> (377)
BS-181 HCl

>  <Catalog Number> (377)
S1572

>  <Synonyms> (377)
N/A

>  <Target> (377)
CDK 

>  <Form> (377)
Hydrochloride

>  <URL> (377)
http://www.selleckchem.com/products/BS-181.html

>  <CAS Number> (377)
1397219-81-6

>  <Plate Location> (377)
f5

>  <Rack Number> (377)
L1700-05

$$$$
Fasudil HCl.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C14H18ClN3O2S

>  <MolWeight> (378)
327.82962

>  <Item Name> (378)
Fasudil HCl (HA-1077)

>  <Catalog Number> (378)
S1573

>  <Synonyms> (378)
AT-877 

>  <Target> (378)
ROCK

>  <Form> (378)
Hydrochloride

>  <URL> (378)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (378)
105628-07-7

>  <Plate Location> (378)
g5

>  <Rack Number> (378)
L1700-05

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/04011511122D

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 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C31H37N5O3

>  <MolWeight> (379)
527.65718

>  <Item Name> (379)
BIRB 796 (Doramapimod)

>  <Catalog Number> (379)
S1574

>  <Synonyms> (379)
N/A

>  <Target> (379)
p38 MAPK

>  <Form> (379)
Free Base

>  <URL> (379)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (379)
285983-48-4

>  <Plate Location> (379)
h5

>  <Rack Number> (379)
L1700-05

$$$$
RO4929097.cdx
csChFnd80/04011511122D

 33 35  0  0  0  0  0  0  0  0999 V2000
    3.4687    5.9788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3516    7.2740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  8  2  1  0  0  0  0
  4  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  5  1  0  0  0  0
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 13 14  2  0  0  0  0
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 16  7  1  0  0  0  0
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 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C22H20F5N3O3

>  <MolWeight> (380)
469.404516

>  <Item Name> (380)
RO4929097

>  <Catalog Number> (380)
S1575

>  <Synonyms> (380)
RO-4929097

>  <Target> (380)
Y-Secretase

>  <Form> (380)
Free Base

>  <URL> (380)
http://www.selleckchem.com/products/RO4929097.html

>  <CAS Number> (380)
847925-91-1

>  <Plate Location> (380)
a6

>  <Rack Number> (380)
L1700-05

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/04011511122D

 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
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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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    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6330    3.4976    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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  6  1  1  0  0  0  0
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (381)
381

>  <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

>  <Plate Location> (381)
c6

>  <Rack Number> (381)
L1700-05

$$$$
Candesartan.cdx
csChFnd80/04011511122D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.4384    4.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4384    3.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6509    2.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8633    4.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (382)
382

>  <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

>  <Plate Location> (382)
d6

>  <Rack Number> (382)
L1700-05

$$$$
Altrenogest.cdx
csChFnd80/04011511122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C21H26O2

>  <MolWeight> (383)
310.42994

>  <Item Name> (383)
Altrenogest

>  <Catalog Number> (383)
S3167

>  <Synonyms> (383)
N/A 

>  <Target> (383)
Estrogen/progestogen Receptor

>  <Form> (383)
Free Base

>  <URL> (383)
http://www.selleckchem.com/products/altrenogest.html

>  <CAS Number> (383)
850-52-2

>  <Plate Location> (383)
d11

>  <Rack Number> (383)
L1700-15

$$$$
Apixaban.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (384)
384

>  <Formula> (384)
C25H25N5O4

>  <MolWeight> (384)
459.4971

>  <Item Name> (384)
Apixaban

>  <Catalog Number> (384)
S1593

>  <Synonyms> (384)
N/A

>  <Target> (384)
Factor Xa 

>  <Form> (384)
Free Base

>  <URL> (384)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

>  <CAS Number> (384)
503612-47-3

>  <Plate Location> (384)
g6

>  <Rack Number> (384)
L1700-05

$$$$
Semagacestat.cdx
csChFnd80/04011511122D

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385

>  <Formula> (385)
C19H27N3O4

>  <MolWeight> (385)
361.43538

>  <Item Name> (385)
Semagacestat (LY450139)

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S1594

>  <Synonyms> (385)
LY-450139, LY450139

>  <Target> (385)
Gamma-secretase

>  <Form> (385)
Free Base

>  <URL> (385)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

>  <CAS Number> (385)
425386-60-3

>  <Plate Location> (385)
h6

>  <Rack Number> (385)
L1700-05

$$$$
Reserpine.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (386)
386

>  <Formula> (386)
C33H40N2O9

>  <MolWeight> (386)
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>  <Item Name> (386)
Reserpine

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>  <Synonyms> (386)
N/A

>  <Target> (386)
Others

>  <Form> (386)
Free Base

>  <URL> (386)
http://www.selleckchem.com/products/Reserpine.html

>  <CAS Number> (386)
50-55-5

>  <Plate Location> (386)
a7

>  <Rack Number> (386)
L1700-05

$$$$

csChFnd80/04011511122D

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M  END
>  <Mol_ID> (387)
387

>  <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)

>  <Plate Location> (387)
c2

>  <Rack Number> (387)
L1700-13

$$$$
Furosemide.cdx
csChFnd80/04011511122D

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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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  9 18  2  0  0  0  0
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 21  9  1  0  0  0  0
M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
C12H11ClN2O5S

>  <MolWeight> (388)
330.74414

>  <Item Name> (388)
Furosemide (Lasix)

>  <Catalog Number> (388)
S1603

>  <Synonyms> (388)
Lasix, Frusemide

>  <Target> (388)
Others

>  <Form> (388)
Free Base

>  <URL> (388)
http://www.selleckchem.com/products/Furosemide(Lasix).html

>  <CAS Number> (388)
54-31-9

>  <Plate Location> (388)
b7

>  <Rack Number> (388)
L1700-05

$$$$
CEFDINIR (cefdinir).cdx
csChFnd80/04011511122D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.8404    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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
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  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
 18 19  1  0  0  0  0
 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)
389

>  <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)
Others

>  <Form> (389)
Free Base

>  <URL> (389)
http://www.selleckchem.com/products/Cefdinir(Omnicef).html

>  <CAS Number> (389)
91832-40-5

>  <Plate Location> (389)
d7

>  <Rack Number> (389)
L1700-05

$$$$
LOTRIMIN (clotrimazole).cdx
csChFnd80/04011511122D

 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
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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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 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
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 23 24  2  0  0  0  0
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  9 25  1  0  0  0  0
M  END
>  <Mol_ID> (390)
390

>  <Formula> (390)
C22H17ClN2

>  <MolWeight> (390)
344.83678

>  <Item Name> (390)
Clotrimazole (Canesten)

>  <Catalog Number> (390)
S1606

>  <Synonyms> (390)
Lotrimin, Mycelex, Canesten

>  <Target> (390)
Others

>  <Form> (390)
Free Base

>  <URL> (390)
http://www.selleckchem.com/products/Clotrimazole(Canesten).html

>  <CAS Number> (390)
23593-75-1

>  <Plate Location> (390)
e7

>  <Rack Number> (390)
L1700-05

$$$$
MAXALT (rizatriptan benzoate).cdx
csChFnd80/04011511122D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  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)
391

>  <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

>  <Plate Location> (391)
f7

>  <Rack Number> (391)
L1700-05

$$$$
MESTINON (pyridostigmine bromide).cdx
csChFnd80/04011511122D

 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)
392

>  <Formula> (392)
C9H13BrN2O2

>  <MolWeight> (392)
261.11572

>  <Item Name> (392)
Pyridostigmine Bromide (Mestinon)

>  <Catalog Number> (392)
S1608

>  <Synonyms> (392)
Mestinon, Regonol

>  <Target> (392)
Others

>  <Form> (392)
Bromide

>  <URL> (392)
http://www.selleckchem.com/products/Pyridostigmine-Bromide(Mestinon).html

>  <CAS Number> (392)
101-26-8

>  <Plate Location> (392)
g7

>  <Rack Number> (392)
L1700-05

$$$$
METHIMAZOLE (methimazole).cdx
csChFnd80/04011511122D

  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)
393

>  <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

>  <Plate Location> (393)
h7

>  <Rack Number> (393)
L1700-05

$$$$
METOLAZONE (metolazone).cdx
csChFnd80/04011511122D

 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)
394

>  <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

>  <Plate Location> (394)
a8

>  <Rack Number> (394)
L1700-05

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/04011511122D

 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)
395

>  <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

>  <Plate Location> (395)
g6

>  <Rack Number> (395)
L1700-12

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/04011511122D

 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)
396

>  <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

>  <Plate Location> (396)
d8

>  <Rack Number> (396)
L1700-05

$$$$
RISPERIDONE (risperidone).cdx
csChFnd80/04011511122D

 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
   17.4900    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2775    6.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4320    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4320    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2238    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155    3.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8031    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (397)
397

>  <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

>  <Plate Location> (397)
e8

>  <Rack Number> (397)
L1700-05

$$$$
Artemether.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (398)
398

>  <Formula> (398)
C16H26O5

>  <MolWeight> (398)
298.37464

>  <Item Name> (398)
Artemether

>  <Catalog Number> (398)
S2264

>  <Synonyms> (398)
SM-224, CGP 56696

>  <Target> (398)
Others

>  <Form> (398)
Free Base

>  <URL> (398)
http://www.selleckchem.com/products/Artemether(SM-224).html

>  <CAS Number> (398)
71963-77-4

>  <Plate Location> (398)
a10

>  <Rack Number> (398)
L1700-09

$$$$
SULLA (sulfameter).cdx
csChFnd80/04011511122D

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>  <Mol_ID> (399)
399

>  <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)
Others

>  <Form> (399)
Free Base

>  <URL> (399)
http://www.selleckchem.com/products/Sulfameter(Bayrena).html

>  <CAS Number> (399)
651-06-9

>  <Plate Location> (399)
f8

>  <Rack Number> (399)
L1700-05

$$$$
Prilocaine.cdx
csChFnd80/04011511122D

 16 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (400)
400

>  <Formula> (400)
C13H20N2O

>  <MolWeight> (400)
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Prilocaine

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S1619

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N/A

>  <Target> (400)
Others

>  <Form> (400)
Free Base

>  <URL> (400)
http://www.selleckchem.com/products/Prilocaine.html

>  <CAS Number> (400)
721-50-6

>  <Plate Location> (400)
g8

>  <Rack Number> (400)
L1700-05

$$$$
FERNISONE (prednisone).cdx
csChFnd80/04011511122D

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>  <Mol_ID> (401)
401

>  <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)
Others

>  <Form> (401)
Free Base

>  <URL> (401)
http://www.selleckchem.com/products/Prednisone.html

>  <CAS Number> (401)
53-03-2

>  <Plate Location> (401)
a9

>  <Rack Number> (401)
L1700-05

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/04011511122D

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>  <Mol_ID> (402)
402

>  <Formula> (402)
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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

>  <Plate Location> (402)
b9

>  <Rack Number> (402)
L1700-05

$$$$
ALESSE (ethinyl estradiol).cdx
csChFnd80/04011511122D

 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> (403)
403

>  <Formula> (403)
C20H24O2

>  <MolWeight> (403)
296.40336

>  <Item Name> (403)
Ethinyl Estradiol

>  <Catalog Number> (403)
S1625

>  <Synonyms> (403)
Ethynylestradiol

>  <Target> (403)
Others

>  <Form> (403)
Free Base

>  <URL> (403)
http://www.selleckchem.com/products/Ethinyl-Estradiol.html

>  <CAS Number> (403)
57-63-6

>  <Plate Location> (403)
c9

>  <Rack Number> (403)
L1700-05

$$$$
Naproxen sodium.cdx
csChFnd80/04011511122D

 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> (404)
404

>  <Formula> (404)
C14H13NaO3

>  <MolWeight> (404)
252.24099

>  <Item Name> (404)
Naproxen Sodium

>  <Catalog Number> (404)
S1626

>  <Synonyms> (404)
Anaprox, Naprelan 

>  <Target> (404)
COX

>  <Form> (404)
Sodium

>  <URL> (404)
http://www.selleckchem.com/products/Naproxen-Sodium(Aleve).html

>  <CAS Number> (404)
26159-34-2

>  <Plate Location> (404)
d9

>  <Rack Number> (404)
L1700-05

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/04011511122D

 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> (405)
405

>  <Formula> (405)
C12H9N3O5S

>  <MolWeight> (405)
307.28196

>  <Item Name> (405)
Nitazoxanide (Alinia, Annita)

>  <Catalog Number> (405)
S1627

>  <Synonyms> (405)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (405)
Others

>  <Form> (405)
Free Base

>  <URL> (405)
http://www.selleckchem.com/products/Nitazoxanide(Alinia).html

>  <CAS Number> (405)
55981-09-4

>  <Plate Location> (405)
e9

>  <Rack Number> (405)
L1700-05

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/04011511122D

 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
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    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (406)
406

>  <Formula> (406)
C24H31FO6

>  <MolWeight> (406)
434.4977432

>  <Item Name> (406)
Triamcinolone Acetonide

>  <Catalog Number> (406)
S1628

>  <Synonyms> (406)
Azmacort

>  <Target> (406)
Others

>  <Form> (406)
Free Base

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

>  <CAS Number> (406)
76-25-5 

>  <Plate Location> (406)
f9

>  <Rack Number> (406)
L1700-05

$$$$
ALLI (orlistat).cdx
csChFnd80/04011511122D

 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
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 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> (407)
407

>  <Formula> (407)
C29H53NO5

>  <MolWeight> (407)
495.73482

>  <Item Name> (407)
Orlistat (Alli, Xenical)

>  <Catalog Number> (407)
S1629

>  <Synonyms> (407)
Tetrahydrolipstatin

>  <Target> (407)
Others

>  <Form> (407)
Free Base

>  <URL> (407)
http://www.selleckchem.com/products/Orlistat(Alli).html

>  <CAS Number> (407)
96829-58-2

>  <Plate Location> (407)
g9

>  <Rack Number> (407)
L1700-05

$$$$
ALLOPURINOL (allopurinol).cdx
csChFnd80/04011511122D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C5H4N4O

>  <MolWeight> (408)
136.11146

>  <Item Name> (408)
Allopurinol (Zyloprim)

>  <Catalog Number> (408)
S1630

>  <Synonyms> (408)
Aloprim

>  <Target> (408)
Others

>  <Form> (408)
Free Base

>  <URL> (408)
http://www.selleckchem.com/products/Allopurinol(Zyloprim).html

>  <CAS Number> (408)
315-30-0

>  <Plate Location> (408)
h9

>  <Rack Number> (408)
L1700-05

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/04011511122D

 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)
409

>  <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

>  <Plate Location> (409)
a10

>  <Rack Number> (409)
L1700-05

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/04011511122D

 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)
410

>  <Formula> (410)
C31H33N3O6S

>  <MolWeight> (410)
575.67522

>  <Item Name> (410)
Zafirlukast (Accolate)

>  <Catalog Number> (410)
S1633

>  <Synonyms> (410)
Accolate, Accoleit, Vanticon

>  <Target> (410)
Others

>  <Form> (410)
Free Base

>  <URL> (410)
http://www.selleckchem.com/products/Zafirlukast(Accolate).html

>  <CAS Number> (410)
107753-78-6

>  <Plate Location> (410)
b10

>  <Rack Number> (410)
L1700-05

$$$$
ACHES-N-PAIN (ibuprofen).cdx
csChFnd80/04011511122D

 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> (411)
411

>  <Formula> (411)
C13H18O2

>  <MolWeight> (411)
206.28082

>  <Item Name> (411)
Ibuprofen (Advil)

>  <Catalog Number> (411)
S1638

>  <Synonyms> (411)
Brufen, Nurofen, Motrin 

>  <Target> (411)
COX

>  <Form> (411)
Free Base

>  <URL> (411)
http://www.selleckchem.com/products/Ibuprofen(Advil).html

>  <CAS Number> (411)
15687-27-1

>  <Plate Location> (411)
e10

>  <Rack Number> (411)
L1700-05

$$$$
ALBENZA (albendazole).cdx
csChFnd80/04011511122D

 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> (412)
412

>  <Formula> (412)
C12H15N3O2S

>  <MolWeight> (412)
265.3314

>  <Item Name> (412)
Albendazole (Albenza)

>  <Catalog Number> (412)
S1640

>  <Synonyms> (412)
Albenza, Eskazole, Zentel, Andazol 

>  <Target> (412)
Others

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/Albendazole(Albenza).html

>  <CAS Number> (412)
54965-21-8

>  <Plate Location> (412)
g10

>  <Rack Number> (412)
L1700-05

$$$$
ALDOCLOR-250 (chlorothiazide).cdx
csChFnd80/04011511122D

 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> (413)
413

>  <Formula> (413)
C7H6ClN3O4S2

>  <MolWeight> (413)
295.72324

>  <Item Name> (413)
Chlorothiazide

>  <Catalog Number> (413)
S1641

>  <Synonyms> (413)
Diuril, Chlotride

>  <Target> (413)
Others

>  <Form> (413)
Free Base

>  <URL> (413)
http://www.selleckchem.com/products/Chlorothiazide(Diuril).html

>  <CAS Number> (413)
58-94-6

>  <Plate Location> (413)
h10

>  <Rack Number> (413)
L1700-05

$$$$
ACTIGALL (ursodiol).cdx
csChFnd80/04011511122D

 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
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    6.0580    4.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (414)
414

>  <Formula> (414)
C24H40O4

>  <MolWeight> (414)
392.572

>  <Item Name> (414)
Ursodiol (Actigal Urso)

>  <Catalog Number> (414)
S1643

>  <Synonyms> (414)
Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk, Urso Forte, Udiliv 

>  <Target> (414)
Others

>  <Form> (414)
Free Base

>  <URL> (414)
http://www.selleckchem.com/products/Ursodiol(Actigal).html

>  <CAS Number> (414)
128-13-2

>  <Plate Location> (414)
a11

>  <Rack Number> (414)
L1700-05

$$$$
ACTIN-N (nitrofurazone).cdx
csChFnd80/04011511122D

 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> (415)
415

>  <Formula> (415)
C6H6N4O4

>  <MolWeight> (415)
198.13624

>  <Item Name> (415)
Nitrofurazone (Nitrofural)

>  <Catalog Number> (415)
S1644

>  <Synonyms> (415)
Nitrofural, Furacilin, ACTIN-N, Otofuran 

>  <Target> (415)
Others

>  <Form> (415)
Free Base

>  <URL> (415)
http://www.selleckchem.com/products/Nitrofurazone(ACTIN-N).html

>  <CAS Number> (415)
59-87-0

>  <Plate Location> (415)
b11

>  <Rack Number> (415)
L1700-05

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/04011511122D

 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
    9.6827    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
 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
 13 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
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (416)
416

>  <Formula> (416)
C16H14O3

>  <MolWeight> (416)
254.28056

>  <Item Name> (416)
Ketoprofen (Actron)

>  <Catalog Number> (416)
S1645

>  <Synonyms> (416)
Orudis, Oruvail 

>  <Target> (416)
COX

>  <Form> (416)
Free Base

>  <URL> (416)
http://www.selleckchem.com/products/Ketoprofen(Actron).html

>  <CAS Number> (416)
22071-15-4

>  <Plate Location> (416)
c11

>  <Rack Number> (416)
L1700-05

$$$$
Adenosine.cdx
csChFnd80/04011511122D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.6157    3.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    2.7240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6943    1.3546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0866    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6561    2.4872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1287    3.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    2.7773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7608    0.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7842    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3730    3.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4463    4.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1393    5.0394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2582    3.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5471    2.3771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7946    3.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8678    4.4108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6937    5.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667    6.5665    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
  2  6  1  1  0  0  0
  5  7  1  1  0  0  0
  3  8  1  6  0  0  0
  4  9  1  6  0  0  0
  6 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  7  1  0  0  0  0
 11 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
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (417)
417

>  <Formula> (417)
C10H13N5O4

>  <MolWeight> (417)
267.24132

>  <Item Name> (417)
Adenosine (Adenocard)

>  <Catalog Number> (417)
S1647

>  <Synonyms> (417)
Adenocard

>  <Target> (417)
Others

>  <Form> (417)
Free Base

>  <URL> (417)
http://www.selleckchem.com/products/Adenosine(Adenocard).html

>  <CAS Number> (417)
58-61-7

>  <Plate Location> (417)
e11

>  <Rack Number> (417)
L1700-05

$$$$
Artemisinin.cdx
csChFnd80/04011511122D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.3912    4.5588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0912    3.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    3.1377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5019    4.0900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    5.4860    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2405    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9027    5.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7632    3.4825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9200    4.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153    5.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540    6.2747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    6.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497    7.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1512    2.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9757    2.7825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3636    1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4354    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (418)
418

>  <Formula> (418)
C15H22O5

>  <MolWeight> (418)
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>  <Item Name> (418)
Artemisinin

>  <Catalog Number> (418)
S1282

>  <Synonyms> (418)
Qinghaosu

>  <Target> (418)
Others

>  <Form> (418)
Free Base

>  <URL> (418)
http://www.selleckchem.com/products/Artemisinin.html

>  <CAS Number> (418)
63968-64-9

>  <Plate Location> (418)
b6

>  <Rack Number> (418)
L1700-03

$$$$
Artesunate.cdx
csChFnd80/04011511122D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (419)
419

>  <Formula> (419)
C19H28O8

>  <MolWeight> (419)
384.42082

>  <Item Name> (419)
Artesunate

>  <Catalog Number> (419)
S2265

>  <Synonyms> (419)
N/A

>  <Target> (419)
Others

>  <Form> (419)
Free Base

>  <URL> (419)
http://www.selleckchem.com/products/Artesunate.html

>  <CAS Number> (419)
88495-63-0

>  <Plate Location> (419)
b10

>  <Rack Number> (419)
L1700-09

$$$$
AT101.cdx
csChFnd80/04011511122D

 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C32H34O10

>  <MolWeight> (420)
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>  <Item Name> (420)
AT101

>  <Catalog Number> (420)
S2812

>  <Synonyms> (420)
N/A

>  <Target> (420)
Bcl-2

>  <Form> (420)
Free Base

>  <URL> (420)
http://www.selleckchem.com/products/at101.html

>  <CAS Number> (420)
866541-93-7

>  <Plate Location> (420)
f1

>  <Rack Number> (420)
L1700-14

$$$$
ZOMIG (zolmitriptan).cdx
csChFnd80/04011511122D

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>  <Mol_ID> (421)
421

>  <Formula> (421)
C16H21N3O2

>  <MolWeight> (421)
287.35684

>  <Item Name> (421)
Zolmitriptan (Zomig)

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S1649

>  <Synonyms> (421)
Zomig, Zomigon, AscoTopand, Zomigoro 

>  <Target> (421)
Others

>  <Form> (421)
Free Base

>  <URL> (421)
http://www.selleckchem.com/products/Zolmitriptan(Zomig).html

>  <CAS Number> (421)
139264-17-8

>  <Plate Location> (421)
f11

>  <Rack Number> (421)
L1700-05

$$$$
TYZEKA (telbivudine).cdx
csChFnd80/04011511122D

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>  <Mol_ID> (422)
422

>  <Formula> (422)
C10H14N2O5

>  <MolWeight> (422)
242.22856

>  <Item Name> (422)
Telbivudine (Sebivo, Tyzeka)

>  <Catalog Number> (422)
S1651

>  <Synonyms> (422)
N/A

>  <Target> (422)
Others

>  <Form> (422)
Free Base

>  <URL> (422)
http://www.selleckchem.com/products/Telbivudine(Sebivo).html

>  <CAS Number> (422)
3424-98-4

>  <Plate Location> (422)
g11

>  <Rack Number> (422)
L1700-05

$$$$
BENOQUIN (monobenzone).cdx
csChFnd80/04011511122D

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    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> (423)
423

>  <Formula> (423)
C13H12O2

>  <MolWeight> (423)
200.23318

>  <Item Name> (423)
Monobenzone (Benoquin)

>  <Catalog Number> (423)
S1652

>  <Synonyms> (423)
Benoquin

>  <Target> (423)
Others

>  <Form> (423)
Free Base

>  <URL> (423)
http://www.selleckchem.com/products/Monobenzone(Benoquin).html

>  <CAS Number> (423)
103-16-2

>  <Plate Location> (423)
h11

>  <Rack Number> (423)
L1700-05

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/04011511122D

 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> (424)
424

>  <Formula> (424)
C20H28O2

>  <MolWeight> (424)
300.43512

>  <Item Name> (424)
All-trans Retinoic Acid (Tretinoin)

>  <Catalog Number> (424)
S1653

>  <Synonyms> (424)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (424)
Others

>  <Form> (424)
Free Base

>  <URL> (424)
http://www.selleckchem.com/products/Tretinoin(Aberela).html

>  <CAS Number> (424)
302-79-4

>  <Plate Location> (424)
a1

>  <Rack Number> (424)
L1700-06

$$$$
AZOLID (phenylbutazone).cdx
csChFnd80/04011511122D

 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> (425)
425

>  <Formula> (425)
C19H20N2O2

>  <MolWeight> (425)
308.3743

>  <Item Name> (425)
Phenylbutazone (Butazolidin, Butatron)

>  <Catalog Number> (425)
S1654

>  <Synonyms> (425)
Bute, Butazolidin, Butatron 

>  <Target> (425)
Others

>  <Form> (425)
Free Base

>  <URL> (425)
http://www.selleckchem.com/products/Phenylbutazone(Butazolidin).html

>  <CAS Number> (425)
50-33-9

>  <Plate Location> (425)
b1

>  <Rack Number> (425)
L1700-06

$$$$
EZETIMIBE (ezetimibe).cdx
csChFnd80/04011511122D

 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> (426)
426

>  <Formula> (426)
C24H21F2NO3

>  <MolWeight> (426)
409.4252464

>  <Item Name> (426)
Ezetimibe (Zetia)

>  <Catalog Number> (426)
S1655

>  <Synonyms> (426)
Zetia, Ezetrol

>  <Target> (426)
Others

>  <Form> (426)
Free Base

>  <URL> (426)
http://www.selleckchem.com/products/Ezetimibe(Zetia).html

>  <CAS Number> (426)
163222-33-1

>  <Plate Location> (426)
c1

>  <Rack Number> (426)
L1700-06

$$$$
TIKOSYN (dofetilide).cdx
csChFnd80/04011511122D

 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> (427)
427

>  <Formula> (427)
C19H27N3O5S2

>  <MolWeight> (427)
441.56478

>  <Item Name> (427)
Dofetilide (Tikosyn)

>  <Catalog Number> (427)
S1658

>  <Synonyms> (427)
Tikosyn, UK68798

>  <Target> (427)
Others

>  <Form> (427)
Free Base

>  <URL> (427)
http://www.selleckchem.com/products/Dofetilide(Tikosyn).html

>  <CAS Number> (427)
115256-11-6

>  <Plate Location> (427)
e1

>  <Rack Number> (427)
L1700-06

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/04011511122D

 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> (428)
428

>  <Formula> (428)
C19H21N3O5

>  <MolWeight> (428)
371.38714

>  <Item Name> (428)
Isradipine (Dynacirc)

>  <Catalog Number> (428)
S1662

>  <Synonyms> (428)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin 

>  <Target> (428)
Others

>  <Form> (428)
Free Base

>  <URL> (428)
http://www.selleckchem.com/products/Isradipine(Dynacirc).html

>  <CAS Number> (428)
75695-93-1

>  <Plate Location> (428)
f1

>  <Rack Number> (428)
L1700-06

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/04011511122D

 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> (429)
429

>  <Formula> (429)
C18H22O2

>  <MolWeight> (429)
270.36608

>  <Item Name> (429)
Estrone

>  <Catalog Number> (429)
S1665

>  <Synonyms> (429)
Oestrone

>  <Target> (429)
Others

>  <Form> (429)
Free Base

>  <URL> (429)
http://www.selleckchem.com/products/Estrone.html

>  <CAS Number> (429)
53-16-7 

>  <Plate Location> (429)
g1

>  <Rack Number> (429)
L1700-06

$$$$
ANCOBON (flucytosine).cdx
csChFnd80/04011511122D

  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> (430)
430

>  <Formula> (430)
C4H4FN3O

>  <MolWeight> (430)
129.0924632

>  <Item Name> (430)
Flucytosine (Ancobon)

>  <Catalog Number> (430)
S1666

>  <Synonyms> (430)
5-fluorocytosine, Ancotil

>  <Target> (430)
Others

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/Flucytosine(Ancobon).html

>  <CAS Number> (430)
2022-85-7

>  <Plate Location> (430)
h1

>  <Rack Number> (430)
L1700-06

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/04011511122D

 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> (431)
431

>  <Formula> (431)
C24H31ClO7

>  <MolWeight> (431)
466.95174

>  <Item Name> (431)
Loteprednol etabonate

>  <Catalog Number> (431)
S1669

>  <Synonyms> (431)
Alrex, Lotemax

>  <Target> (431)
Others

>  <Form> (431)
Free Base

>  <URL> (431)
http://www.selleckchem.com/products/Loteprednol-etabonate.html

>  <CAS Number> (431)
82034-46-6

>  <Plate Location> (431)
b2

>  <Rack Number> (431)
L1700-06

$$$$
AMINOCAPROIC ACID (aminocaproic acid).cdx
csChFnd80/04011511122D

  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> (432)
432

>  <Formula> (432)
C6H13NO2

>  <MolWeight> (432)
131.17292

>  <Item Name> (432)
£¨6-£©¦Å-Aminocaproic acid 

>  <Catalog Number> (432)
S1671

>  <Synonyms> (432)
Amicar, ¦Å-amino caproic acid, ¦Å-Ahx, 6-aminohexanoic acid

>  <Target> (432)
Others

>  <Form> (432)
Free Base

>  <URL> (432)
http://www.selleckchem.com/products/Aminocaproic-acid(Amicar).html

>  <CAS Number> (432)
60-32-2

>  <Plate Location> (432)
c2

>  <Rack Number> (432)
L1700-06

$$$$
Pregnenolone.cdx
csChFnd80/04011511122D

 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> (433)
433

>  <Formula> (433)
C21H32O2

>  <MolWeight> (433)
316.47758

>  <Item Name> (433)
Pregnenolone

>  <Catalog Number> (433)
S1914

>  <Synonyms> (433)
N/A

>  <Target> (433)
Estrogen/progestogen Receptor

>  <Form> (433)
Free Base

>  <URL> (433)
http://www.selleckchem.com/products/pregnenolone.html

>  <CAS Number> (433)
145-13-1

>  <Plate Location> (433)
g7

>  <Rack Number> (433)
L1700-07

$$$$
AMINOPHYLLINE (aminophylline).cdx
csChFnd80/04011511122D

 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> (434)
434

>  <Formula> (434)
C16H24N10O4

>  <MolWeight> (434)
420.42636

>  <Item Name> (434)
Aminophylline (Truphylline)

>  <Catalog Number> (434)
S1673

>  <Synonyms> (434)
Somopphyllin, Aminocadol, Phyllocontin 

>  <Target> (434)
PDE

>  <Form> (434)
Ethylenediamine

>  <URL> (434)
http://www.selleckchem.com/products/Aminophylline(Truphylline).html

>  <CAS Number> (434)
317-34-0 

>  <Plate Location> (434)
e2

>  <Rack Number> (434)
L1700-06

$$$$
Amorolfine Hydrochloride.cdx
csChFnd80/04011511122D

 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> (435)
435

>  <Formula> (435)
C21H36ClNO

>  <MolWeight> (435)
353.96964

>  <Item Name> (435)
Amorolfine Hydrochloride

>  <Catalog Number> (435)
S1676

>  <Synonyms> (435)
Amorolfin, Curanail, Loceryl, Locetar, Odenil 

>  <Target> (435)
Others

>  <Form> (435)
Hydrochloride

>  <URL> (435)
http://www.selleckchem.com/products/Amorolfine-Hydrochloride.html

>  <CAS Number> (435)
78613-38-4

>  <Plate Location> (435)
g2

>  <Rack Number> (435)
L1700-06

$$$$
AMPHICOL (chloramphenicol).cdx
csChFnd80/04011511122D

 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> (436)
436

>  <Formula> (436)
C11H12Cl2N2O5

>  <MolWeight> (436)
323.12938

>  <Item Name> (436)
Chloramphenicol (Chloromycetin)

>  <Catalog Number> (436)
S1677

>  <Synonyms> (436)
Alficetyn, Chlornitromycin, Chloromycetin 

>  <Target> (436)
Others

>  <Form> (436)
Free Base

>  <URL> (436)
http://www.selleckchem.com/products/Chloramphenicol(Chloromycetin).html

>  <CAS Number> (436)
56-75-7

>  <Plate Location> (436)
h2

>  <Rack Number> (436)
L1700-06

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/04011511122D

 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> (437)
437

>  <Formula> (437)
C10H20N2S4

>  <MolWeight> (437)
296.5392

>  <Item Name> (437)
Disulfiram (Antabuse)

>  <Catalog Number> (437)
S1680

>  <Synonyms> (437)
Antabuse, Antabus

>  <Target> (437)
Others

>  <Form> (437)
Free Base

>  <URL> (437)
http://www.selleckchem.com/products/Disulfiram(Antabuse).html

>  <CAS Number> (437)
97-77-8

>  <Plate Location> (437)
b3

>  <Rack Number> (437)
L1700-06

$$$$
APRISO (mesalamine).cdx
csChFnd80/04011511122D

 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> (438)
438

>  <Formula> (438)
C7H7NO3

>  <MolWeight> (438)
153.13538

>  <Item Name> (438)
Mesalamine (Lialda)

>  <Catalog Number> (438)
S1681

>  <Synonyms> (438)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (438)
Others

>  <Form> (438)
Free Base

>  <URL> (438)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

>  <CAS Number> (438)
89-57-6

>  <Plate Location> (438)
c3

>  <Rack Number> (438)
L1700-06

$$$$
ATROVENT HFA (ipratropium bromide).cdx
csChFnd80/04011511122D

 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> (439)
439

>  <Formula> (439)
C20H30BrNO3

>  <MolWeight> (439)
412.3611

>  <Item Name> (439)
Ipratropium bromide

>  <Catalog Number> (439)
S1683

>  <Synonyms> (439)
Atrovent, Apovent, Aerovent

>  <Target> (439)
Others

>  <Form> (439)
Bromide

>  <URL> (439)
http://www.selleckchem.com/products/Ipratropium-bromide.html

>  <CAS Number> (439)
22254-24-6

>  <Plate Location> (439)
d3

>  <Rack Number> (439)
L1700-06

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/04011511122D

 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> (440)
440

>  <Formula> (440)
C22H28O5

>  <MolWeight> (440)
372.45472

>  <Item Name> (440)
Betapar (Meprednisone)

>  <Catalog Number> (440)
S1689

>  <Synonyms> (440)
Betanisona

>  <Target> (440)
Others

>  <Form> (440)
Free Base

>  <URL> (440)
http://www.selleckchem.com/products/Betapar(Meprednisone).html

>  <CAS Number> (440)
1247-42-3

>  <Plate Location> (440)
f3

>  <Rack Number> (440)
L1700-06

$$$$
BILTRICIDE (praziquantel).cdx
csChFnd80/04011511122D

 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> (441)
441

>  <Formula> (441)
C19H24N2O2

>  <MolWeight> (441)
312.40606

>  <Item Name> (441)
Praziquantel (Biltricide)

>  <Catalog Number> (441)
S1691

>  <Synonyms> (441)
Droncit

>  <Target> (441)
Others

>  <Form> (441)
Free Base

>  <URL> (441)
http://www.selleckchem.com/products/Praziquantel(Biltricide).html

>  <CAS Number> (441)
55268-74-1

>  <Plate Location> (441)
g3

>  <Rack Number> (441)
L1700-06

$$$$
BUSULFEX (busulfan).cdx
csChFnd80/04011511122D

 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> (442)
442

>  <Formula> (442)
C6H14O6S2

>  <MolWeight> (442)
246.30176

>  <Item Name> (442)
Busulfan (Myleran, Busulfex)

>  <Catalog Number> (442)
S1692

>  <Synonyms> (442)
Myleran, Busulfex

>  <Target> (442)
NULL

>  <Form> (442)
Free Base

>  <URL> (442)
http://www.selleckchem.com/products/Busulfan(Busulfex).html

>  <CAS Number> (442)
55-98-1

>  <Plate Location> (442)
h3

>  <Rack Number> (442)
L1700-06

$$$$
GEMCITABINE (gemcitabine).cdx
csChFnd80/04011511122D

 18 19  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  2  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  1  0  0  0  0  0  0  0  0  0
    6.3571    4.4810    0.0000 C   0  0  2  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
    6.9245    5.7555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    1.8482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    4.5523    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    5.5899    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  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  5  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
 12 15  1  6  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> (443)
443

>  <Formula> (443)
C9H11F2N3O4

>  <MolWeight> (443)
263.1981464

>  <Item Name> (443)
Gemcitabine (Gemzar)

>  <Catalog Number> (443)
S1714

>  <Synonyms> (443)
Gemzar

>  <Target> (443)
Others

>  <Form> (443)
Free Base

>  <URL> (443)
http://www.selleckchem.com/products/Gemcitabine(Gemzar).html

>  <CAS Number> (443)
95058-81-4 

>  <Plate Location> (443)
e5

>  <Rack Number> (443)
L1700-06

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/04011511122D

 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> (444)
444

>  <Formula> (444)
C15H12N2O

>  <MolWeight> (444)
236.26858

>  <Item Name> (444)
Carbamazepine (Carbatrol)

>  <Catalog Number> (444)
S1693

>  <Synonyms> (444)
Equetro, Tegretol, Biston 

>  <Target> (444)
Others

>  <Form> (444)
Free Base

>  <URL> (444)
http://www.selleckchem.com/products/Carbamazepine(Carbatrol).html

>  <CAS Number> (444)
298-46-4

>  <Plate Location> (444)
a4

>  <Rack Number> (444)
L1700-06

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/04011511122D

 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> (445)
445

>  <Formula> (445)
C21H30O5

>  <MolWeight> (445)
362.4599

>  <Item Name> (445)
Hydrocortisone (Cortisol)

>  <Catalog Number> (445)
S1696

>  <Synonyms> (445)
Cortisol

>  <Target> (445)
Others

>  <Form> (445)
Free Base

>  <URL> (445)
http://www.selleckchem.com/products/Hydrocortisone.html

>  <CAS Number> (445)
50-23-7

>  <Plate Location> (445)
b4

>  <Rack Number> (445)
L1700-06

$$$$
DESOWEN (desonide).cdx
csChFnd80/04011511122D

 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> (446)
446

>  <Formula> (446)
C24H32O6

>  <MolWeight> (446)
416.50728

>  <Item Name> (446)
Desonide

>  <Catalog Number> (446)
S1701

>  <Synonyms> (446)
Locapred, Topifug, Tridesilon

>  <Target> (446)
Others

>  <Form> (446)
Free Base

>  <URL> (446)
http://www.selleckchem.com/products/Desonide.html

>  <CAS Number> (446)
638-94-8

>  <Plate Location> (446)
c4

>  <Rack Number> (446)
L1700-06

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/04011511122D

 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> (447)
447

>  <Formula> (447)
C10H12N4O3

>  <MolWeight> (447)
236.22728

>  <Item Name> (447)
Didanosine (Videx)

>  <Catalog Number> (447)
S1702

>  <Synonyms> (447)
Videx EC 

>  <Target> (447)
NULL

>  <Form> (447)
Free Base

>  <URL> (447)
http://www.selleckchem.com/products/Didanosine(Videx).html

>  <CAS Number> (447)
69655-05-6

>  <Plate Location> (447)
d4

>  <Rack Number> (447)
L1700-06

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/04011511122D

 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> (448)
448

>  <Formula> (448)
C16H31NaO4

>  <MolWeight> (448)
310.40471

>  <Item Name> (448)
Divalproex sodium

>  <Catalog Number> (448)
S1703

>  <Synonyms> (448)
Depakote, Epival

>  <Target> (448)
Others

>  <Form> (448)
Sodium

>  <URL> (448)
http://www.selleckchem.com/products/Divalproex-sodium.html

>  <CAS Number> (448)
76584-70-8

>  <Plate Location> (448)
e4

>  <Rack Number> (448)
L1700-06

$$$$
ENDOMETRIN (progesterone).cdx
csChFnd80/04011511122D

 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> (449)
449

>  <Formula> (449)
C21H30O2

>  <MolWeight> (449)
314.4617

>  <Item Name> (449)
Progesterone (Prometrium)

>  <Catalog Number> (449)
S1705

>  <Synonyms> (449)
Prometrium, Agolutin, Corlutin

>  <Target> (449)
Others

>  <Form> (449)
Free Base

>  <URL> (449)
http://www.selleckchem.com/products/Progesterone(Prometrium).html

>  <CAS Number> (449)
57-83-0

>  <Plate Location> (449)
g4

>  <Rack Number> (449)
L1700-06

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/04011511122D

 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> (450)
450

>  <Formula> (450)
C8H11N3O3S

>  <MolWeight> (450)
229.25624

>  <Item Name> (450)
Lamivudine (Epivir)

>  <Catalog Number> (450)
S1706

>  <Synonyms> (450)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV 

>  <Target> (450)
Others

>  <Form> (450)
Free Base

>  <URL> (450)
http://www.selleckchem.com/products/Lamivudine(Epivir).html

>  <CAS Number> (450)
134678-17-4

>  <Plate Location> (450)
h4

>  <Rack Number> (450)
L1700-06

$$$$
ESIDRIX (hydrochlorothiazide).cdx
csChFnd80/04011511122D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.0100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.2149    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3538    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    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
 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> (451)
451

>  <Formula> (451)
C7H8ClN3O4S2

>  <MolWeight> (451)
297.73912

>  <Item Name> (451)
Hydrochlorothiazide

>  <Catalog Number> (451)
S1708

>  <Synonyms> (451)
Aquazide H,Carozide,Diaqua,Esidrix,Ezide,HydroPar,HydroDIURIL,Hydrocot,Hydrokraft,Loqua,Oretic

>  <Target> (451)
Others

>  <Form> (451)
Free Base

>  <URL> (451)
http://www.selleckchem.com/products/Hydrochlorothiazide.html

>  <CAS Number> (451)
58-93-5

>  <Plate Location> (451)
a5

>  <Rack Number> (451)
L1700-06

$$$$
estradiol.cdx
csChFnd80/04011511122D

 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> (452)
452

>  <Formula> (452)
C18H24O2

>  <MolWeight> (452)
272.38196

>  <Item Name> (452)
Estradiol

>  <Catalog Number> (452)
S1709

>  <Synonyms> (452)
17¦Â-estradiol, oestradiol, 17¦Â-Oestradiol, ¦Â-Estradiol 

>  <Target> (452)
Others

>  <Form> (452)
Free Base

>  <URL> (452)
http://www.selleckchem.com/products/Estradiol.html

>  <CAS Number> (452)
50-28-2

>  <Plate Location> (452)
b5

>  <Rack Number> (452)
L1700-06

$$$$
EXJADE (deferasirox).cdx
csChFnd80/04011511122D

 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> (453)
453

>  <Formula> (453)
C21H15N3O4

>  <MolWeight> (453)
373.3615

>  <Item Name> (453)
Deferasirox (Exjade)

>  <Catalog Number> (453)
S1712

>  <Synonyms> (453)
Exjade, ICL-670, ICL-670A, CGP-72670 

>  <Target> (453)
Others

>  <Form> (453)
Free Base

>  <URL> (453)
http://www.selleckchem.com/products/Deferasirox(Exjade).html

>  <CAS Number> (453)
201530-41-8

>  <Plate Location> (453)
c5

>  <Rack Number> (453)
L1700-06

$$$$
DCC-2036.cdx
csChFnd80/04011511122D

 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
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    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
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  4  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  1  0  0  0  0
 15 16  1  0  0  0  0
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  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 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
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 35 36  1  0  0  0  0
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 39 40  1  0  0  0  0
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 41 35  1  0  0  0  0
M  END
>  <Mol_ID> (454)
454

>  <Formula> (454)
C30H28FN7O3

>  <MolWeight> (454)
553.5868232

>  <Item Name> (454)
DCC-2036 (Rebastinib)

>  <Catalog Number> (454)
S2634

>  <Synonyms> (454)
N/A 

>  <Target> (454)
Bcr-Abl

>  <Form> (454)
Free Base

>  <URL> (454)
http://www.selleckchem.com/products/dcc-2036.html

>  <CAS Number> (454)
1020172-07-9

>  <Plate Location> (454)
f9

>  <Rack Number> (454)
L1700-12

$$$$
FELDENE (piroxicam).cdx
csChFnd80/04011511122D

 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
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    4.8413    5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5620    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9620    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
  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
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15  9  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 19 14  1  0  0  0  0
 15 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  2  0  0  0  0
 12 23  2  0  0  0  0
M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C15H13N3O4S

>  <MolWeight> (455)
331.34642

>  <Item Name> (455)
Piroxicam (Feldene)

>  <Catalog Number> (455)
S1713

>  <Synonyms> (455)
Roxam

>  <Target> (455)
COX 

>  <Form> (455)
Free Base

>  <URL> (455)
http://www.selleckchem.com/products/Piroxicam(Feldene).html

>  <CAS Number> (455)
36322-90-4

>  <Plate Location> (455)
d5

>  <Rack Number> (455)
L1700-06

$$$$
GLIPIZIDE (glipizide).cdx
csChFnd80/04011511122D

 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
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   16.9320    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
  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
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 16 11  1  0  0  0  0
  9 17  2  0  0  0  0
  7 18  2  0  0  0  0
  7 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
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 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> (456)
456

>  <Formula> (456)
C21H27N5O4S

>  <MolWeight> (456)
445.53518

>  <Item Name> (456)
Glipizide (Glucotrol)

>  <Catalog Number> (456)
S1715

>  <Synonyms> (456)
Glucotrol XL 

>  <Target> (456)
Others

>  <Form> (456)
Free Base

>  <URL> (456)
http://www.selleckchem.com/products/Glipizide(Glucotrol).html

>  <CAS Number> (456)
29094-61-9

>  <Plate Location> (456)
f5

>  <Rack Number> (456)
L1700-06

$$$$
GLYBURIDE (glyburide).cdx
csChFnd80/04011511122D

 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
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   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
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   19.3569    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
  7  8  1  0  0  0  0
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 22 23  1  0  0  0  0
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 23 25  2  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 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> (457)
457

>  <Formula> (457)
C23H28ClN3O5S

>  <MolWeight> (457)
494.00352

>  <Item Name> (457)
Glyburide (Diabeta)

>  <Catalog Number> (457)
S1716

>  <Synonyms> (457)
Glibenclamide, Glycron, Glynase, Micronase, Daonil, Semi-Daonil, Euglucon, Delmide 

>  <Target> (457)
Others

>  <Form> (457)
Free Base

>  <URL> (457)
http://www.selleckchem.com/products/Glyburide(Diabeta).html

>  <CAS Number> (457)
10238-21-8 

>  <Plate Location> (457)
g5

>  <Rack Number> (457)
L1700-06

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/04011511122D

 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
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    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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M  END
>  <Mol_ID> (458)
458

>  <Formula> (458)
C20H32N5O8P

>  <MolWeight> (458)
501.470541

>  <Item Name> (458)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Catalog Number> (458)
S1718

>  <Synonyms> (458)
Bis-POM PMEA, Preveon, Hepsera 

>  <Target> (458)
Others

>  <Form> (458)
Free Base

>  <URL> (458)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

>  <CAS Number> (458)
142340-99-6

>  <Plate Location> (458)
h5

>  <Rack Number> (458)
L1700-06

$$$$
HIVID (zalcitabine).cdx
csChFnd80/04011511122D

 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
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    0.0000    3.3733    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
M  END
>  <Mol_ID> (459)
459

>  <Formula> (459)
C9H13N3O3

>  <MolWeight> (459)
211.21782

>  <Item Name> (459)
Zalcitabine

>  <Catalog Number> (459)
S1719

>  <Synonyms> (459)
Hivid, Dideoxycytidine 

>  <Target> (459)
Others

>  <Form> (459)
Free Base

>  <URL> (459)
http://www.selleckchem.com/products/Zalcitabine.html

>  <CAS Number> (459)
7481-89-2

>  <Plate Location> (459)
a6

>  <Rack Number> (459)
L1700-06

$$$$
IMURAN (azathioprine).cdx
csChFnd80/04011511122D

 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
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    3.4282    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7950    1.4000    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
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  6 10  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (460)
460

>  <Formula> (460)
C9H7N7O2S

>  <MolWeight> (460)
277.26258

>  <Item Name> (460)
Azathioprine (Azasan, Imuran)

>  <Catalog Number> (460)
S1721

>  <Synonyms> (460)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (460)
Others

>  <Form> (460)
Free Base

>  <URL> (460)
http://www.selleckchem.com/products/Azathioprine(Azasan).html

>  <CAS Number> (460)
446-86-6

>  <Plate Location> (460)
b6

>  <Rack Number> (460)
L1700-06

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C19H16ClNO4

>  <MolWeight> (461)
357.78764

>  <Item Name> (461)
Indomethacin (Indocid, Indocin)

>  <Catalog Number> (461)
S1723

>  <Synonyms> (461)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (461)
Others

>  <Form> (461)
Free Base

>  <URL> (461)
http://www.selleckchem.com/products/Indomethacin(Indocid).html

>  <CAS Number> (461)
53-86-1

>  <Plate Location> (461)
c6

>  <Rack Number> (461)
L1700-06

$$$$
Levonorgestrel.cdx
csChFnd80/04011511122D

 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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  1  2  1  0  0  0  0
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 10  5  1  0  0  0  0
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 12 21  1  1  0  0  0
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M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C21H28O2

>  <MolWeight> (462)
312.44582

>  <Item Name> (462)
Levonorgestrel (Levonelle)

>  <Catalog Number> (462)
S1727

>  <Synonyms> (462)
Levonelle, D-Norgestrel, Levonova

>  <Target> (462)
Others

>  <Form> (462)
Free Base

>  <URL> (462)
http://www.selleckchem.com/products/Levonorgestrel(Levonelle).html

>  <CAS Number> (462)
797-63-7

>  <Plate Location> (462)
e6

>  <Rack Number> (462)
L1700-06

$$$$
LOPID (gemfibrozil).cdx
csChFnd80/04011511122D

 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
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    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
    7.7931    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (463)
463

>  <Formula> (463)
C15H22O3

>  <MolWeight> (463)
250.33338

>  <Item Name> (463)
Gemfibrozil (Lopid)

>  <Catalog Number> (463)
S1729

>  <Synonyms> (463)
Gemcor, Lopid, Jezil, Gen-Fibro

>  <Target> (463)
Others

>  <Form> (463)
Free Base

>  <URL> (463)
http://www.selleckchem.com/products/Gemfibrozil(Lopid).html

>  <CAS Number> (463)
25812-30-0

>  <Plate Location> (463)
f6

>  <Rack Number> (463)
L1700-06

$$$$
LOZOL (indapamide).cdx
csChFnd80/04011511122D

 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
    6.4342    0.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    2.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    0.9335    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3062    4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9082    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
  4  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
  2 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  2  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
 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> (464)
464

>  <Formula> (464)
C16H16ClN3O3S

>  <MolWeight> (464)
365.83454

>  <Item Name> (464)
Indapamide (Lozol)

>  <Catalog Number> (464)
S1730

>  <Synonyms> (464)
Arifon, Fludex, Noranat, Veroxil, Tertensif

>  <Target> (464)
Others

>  <Form> (464)
Free Base

>  <URL> (464)
http://www.selleckchem.com/products/Indapamide(Lozol).html

>  <CAS Number> (464)
26807-65-8

>  <Plate Location> (464)
g6

>  <Rack Number> (464)
L1700-06

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/04011511122D

 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
    4.8455    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  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    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8903    0.0000 H   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
    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
   10.3977    7.6447    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
   11.3876    6.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  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
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
  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> (465)
465

>  <Formula> (465)
C22H30O5

>  <MolWeight> (465)
374.4706

>  <Item Name> (465)
Methylprednisolone

>  <Catalog Number> (465)
S1733

>  <Synonyms> (465)
Medrol, Solu-Medrol, Medrone

>  <Target> (465)
Others

>  <Form> (465)
Free Base

>  <URL> (465)
http://www.selleckchem.com/products/Methylprednisolone.html

>  <CAS Number> (465)
83-43-2

>  <Plate Location> (465)
a7

>  <Rack Number> (465)
L1700-06

$$$$
MELOXICAM (meloxicam).cdx
csChFnd80/04011511122D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2279    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2279    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    5.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7404    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1404    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C14H13N3O4S2

>  <MolWeight> (466)
351.40072

>  <Item Name> (466)
Meloxicam (Mobic)

>  <Catalog Number> (466)
S1734

>  <Synonyms> (466)
Metacam, Parocin 

>  <Target> (466)
Others

>  <Form> (466)
Free Base

>  <URL> (466)
http://www.selleckchem.com/products/Meloxicam(Mobic).html

>  <CAS Number> (466)
71125-38-7

>  <Plate Location> (466)
b7

>  <Rack Number> (466)
L1700-06

$$$$
Mesna.cdx
csChFnd80/04011511122D

  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> (467)
467

>  <Formula> (467)
C2H5NaO3S2

>  <MolWeight> (467)
164.17907

>  <Item Name> (467)
Mesna (Uromitexan, Mesnex)

>  <Catalog Number> (467)
S1735

>  <Synonyms> (467)
Uromitexan, Mesnex

>  <Target> (467)
Others

>  <Form> (467)
Free Base

>  <URL> (467)
http://www.selleckchem.com/products/Mesna(Uromitexan).html

>  <CAS Number> (467)
19767-45-4

>  <Plate Location> (467)
c7

>  <Rack Number> (467)
L1700-06

$$$$
METHOCARBAMOL (methocarbamol).cdx
csChFnd80/04011511122D

 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
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (468)
468

>  <Formula> (468)
C11H15NO5

>  <MolWeight> (468)
241.2405

>  <Item Name> (468)
Methocarbamol (Robaxin)

>  <Catalog Number> (468)
S1736

>  <Synonyms> (468)
Robaxin

>  <Target> (468)
Others

>  <Form> (468)
Free Base

>  <URL> (468)
http://www.selleckchem.com/products/Methocarbamol(Robaxin).html

>  <CAS Number> (468)
532-03-6

>  <Plate Location> (468)
d7

>  <Rack Number> (468)
L1700-06

$$$$
MICARDIS (telmisartan).cdx
csChFnd80/04011511122D

 39 44  0  0  0  0  0  0  0  0999 V2000
    2.4165   11.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   10.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   11.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    4.8413    6.0952    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
    7.0993    3.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0113    4.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063    3.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6253    5.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5373    5.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2303    5.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3215    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9435    1.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    7.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0029    7.9630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7839    9.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4012    9.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7656    8.3174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6650   10.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1633   11.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7805   11.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994   10.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2460    7.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  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
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 18 26  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  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 29  2  0  0  0  0
 31 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
 30 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
>  <Mol_ID> (469)
469

>  <Formula> (469)
C33H30N4O2

>  <MolWeight> (469)
514.6169

>  <Item Name> (469)
Telmisartan (Micardis)

>  <Catalog Number> (469)
S1738

>  <Synonyms> (469)
Targit

>  <Target> (469)
Others

>  <Form> (469)
Free Base

>  <URL> (469)
http://www.selleckchem.com/products/Telmisartan(Micardis).html

>  <CAS Number> (469)
144701-48-4

>  <Plate Location> (469)
f7

>  <Rack Number> (469)
L1700-06

$$$$
MINTEZOL (thiabendazole).cdx
csChFnd80/04011511122D

 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> (470)
470

>  <Formula> (470)
C10H7N3S

>  <MolWeight> (470)
201.24768

>  <Item Name> (470)
Thiabendazole

>  <Catalog Number> (470)
S1739

>  <Synonyms> (470)
Mintezol, Equizole

>  <Target> (470)
Others

>  <Form> (470)
Free Base

>  <URL> (470)
http://www.selleckchem.com/products/Thiabendazole.html

>  <CAS Number> (470)
148-79-8

>  <Plate Location> (470)
g7

>  <Rack Number> (470)
L1700-06

$$$$
MUCINEX (guaifenesin).cdx
csChFnd80/04011511122D

 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> (471)
471

>  <Formula> (471)
C10H14O4

>  <MolWeight> (471)
198.21576

>  <Item Name> (471)
Guaifenesin (Guaiphenesin)

>  <Catalog Number> (471)
S1740

>  <Synonyms> (471)
Guaiphenesin, Glyceryl guaiacolate

>  <Target> (471)
Others

>  <Form> (471)
Free Base

>  <URL> (471)
http://www.selleckchem.com/products/Guaifenesin(Guaiphenesin).html

>  <CAS Number> (471)
93-14-1

>  <Plate Location> (471)
h7

>  <Rack Number> (471)
L1700-06

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/04011511122D

 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> (472)
472

>  <Formula> (472)
C15H14N4O

>  <MolWeight> (472)
266.29786

>  <Item Name> (472)
Nevirapine (Viramune)

>  <Catalog Number> (472)
S1742

>  <Synonyms> (472)
Viramune, BI-RG 587

>  <Target> (472)
Others

>  <Form> (472)
Free Base

>  <URL> (472)
http://www.selleckchem.com/products/Nevirapine(Viramune).html

>  <CAS Number> (472)
129618-40-2

>  <Plate Location> (472)
b8

>  <Rack Number> (472)
L1700-06

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/04011511122D

 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> (473)
473

>  <Formula> (473)
C21H26N2O7

>  <MolWeight> (473)
418.44034

>  <Item Name> (473)
Nimodipine (Nimotop)

>  <Catalog Number> (473)
S1747

>  <Synonyms> (473)
Nimotop

>  <Target> (473)
Others

>  <Form> (473)
Free Base

>  <URL> (473)
http://www.selleckchem.com/products/Nimodipine(Nimotop).html

>  <CAS Number> (473)
66085-59-4

>  <Plate Location> (473)
d8

>  <Rack Number> (473)
L1700-06

$$$$
Pitavastatin calcium.cdx
csChFnd80/04011511122D

 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
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    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
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    5.0421   14.3077    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  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (474)
474

>  <Formula> (474)
C50H46CaF2N2O8

>  <MolWeight> (474)
880.9836464

>  <Item Name> (474)
Pitavastatin calcium (Livalo)

>  <Catalog Number> (474)
S1759

>  <Synonyms> (474)
Livalo

>  <Target> (474)
Others

>  <Form> (474)
Calcium

>  <URL> (474)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

>  <CAS Number> (474)
147526-32-7

>  <Plate Location> (474)
g8

>  <Rack Number> (474)
L1700-06

$$$$
PYRAZINAMIDE (pyrazinamide).cdx
csChFnd80/04011511122D

  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> (475)
475

>  <Formula> (475)
C5H5N3O

>  <MolWeight> (475)
123.1127

>  <Item Name> (475)
Pyrazinamide (Pyrazinoic acid amide)

>  <Catalog Number> (475)
S1762

>  <Synonyms> (475)
Pezetamid, Pyrafat, Zinamide, Tebrazid, Pyrafat 

>  <Target> (475)
Others

>  <Form> (475)
Free Base

>  <URL> (475)
http://www.selleckchem.com/products/Pyrazinamide(Pyrazinoic-acid-amide).html

>  <CAS Number> (475)
98-96-4

>  <Plate Location> (475)
b9

>  <Rack Number> (475)
L1700-06

$$$$
QUETIAPINE FUMARATE (quetiapine fumarate).cdx
csChFnd80/04011511122D

 62 67  0  0  0  0  0  0  0  0999 V2000
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   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
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 57 58  1  0  0  0  0
 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> (476)
476

>  <Formula> (476)
C46H54N6O8S2

>  <MolWeight> (476)
883.08636

>  <Item Name> (476)
Quetiapine fumarate (Seroquel)

>  <Catalog Number> (476)
S1763

>  <Synonyms> (476)
ICI-204636, ZD 5077, ZM 204636, Seroquel XR 

>  <Target> (476)
Dopamine Receptor

>  <Form> (476)
Fumarate

>  <URL> (476)
http://www.selleckchem.com/products/Quetiapine-fumarate(Seroquel).html

>  <CAS Number> (476)
111974-72-2

>  <Plate Location> (476)
c9

>  <Rack Number> (476)
L1700-06

$$$$
SOLATENE (beta carotene).cdx
csChFnd80/04011511122D

 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
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    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
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   10.9204    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3452    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1950    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4074    2.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6198    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8323    2.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0447    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2571    2.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4696    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6862    2.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9029    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9029    4.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6862    5.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4696    4.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    1.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8323    1.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6862    1.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0647    4.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7671    5.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 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  1  0  0  0  0
 31 32  1  0  0  0  0
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 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> (477)
477

>  <Formula> (477)
C40H56

>  <MolWeight> (477)
536.87264

>  <Item Name> (477)
Beta Carotene

>  <Catalog Number> (477)
S1767

>  <Synonyms> (477)
¦Â,¦Â-Carotene, Provitamin A, Solatene, ¦Â-Carotene 

>  <Target> (477)
Others

>  <Form> (477)
Free Base

>  <URL> (477)
http://www.selleckchem.com/products/Beta-Carotene.html

>  <CAS Number> (477)
7235-40-7

>  <Plate Location> (477)
e9

>  <Rack Number> (477)
L1700-06

$$$$
SPECTRACEF (cefditoren pivoxil).cdx
csChFnd80/04011511122D

 42 45  0  0  0  0  0  0  0  0999 V2000
    9.6186    4.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6186    3.0817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8311    2.3817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0435    3.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0435    4.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8311    5.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2560    2.3817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.4684    3.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4684    4.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2560    5.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2186    4.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2186    3.0817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5470    1.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9394    0.8659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5088    2.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    5.4682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8735    2.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8311    6.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6229    7.2744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0847    7.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  8  2  0  0  0  0
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  2 18  1  1  0  0  0
  6 19  1  0  0  0  0
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M  END
>  <Mol_ID> (478)
478

>  <Formula> (478)
C25H28N6O7S3

>  <MolWeight> (478)
620.72082

>  <Item Name> (478)
Cefditoren pivoxil

>  <Catalog Number> (478)
S1768

>  <Synonyms> (478)
Spectracef , Meiact

>  <Target> (478)
5-alpha Reductase 

>  <Form> (478)
Free Base

>  <URL> (478)
http://www.selleckchem.com/products/Cefditoren-pivoxil.html

>  <CAS Number> (478)
117467-28-4 

>  <Plate Location> (478)
f9

>  <Rack Number> (478)
L1700-06

$$$$
SULFADIAZINE (sulfadiazine).cdx
csChFnd80/04011511122D

 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> (479)
479

>  <Formula> (479)
C10H10N4O2S

>  <MolWeight> (479)
250.277

>  <Item Name> (479)
Sulfadiazine

>  <Catalog Number> (479)
S1770

>  <Synonyms> (479)
Adiazin, Adiazine, Debenal, Liquadiazine

>  <Target> (479)
Others

>  <Form> (479)
Free Base

>  <URL> (479)
http://www.selleckchem.com/products/Sulfadiazine.html

>  <CAS Number> (479)
68-35-9

>  <Plate Location> (479)
g9

>  <Rack Number> (479)
L1700-06

$$$$
TARACTAN (chlorprothixene).cdx
csChFnd80/04011511122D

 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
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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
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (480)
480

>  <Formula> (480)
C18H18ClNS

>  <MolWeight> (480)
315.86022

>  <Item Name> (480)
Chlorprothixene

>  <Catalog Number> (480)
S1771

>  <Synonyms> (480)
Cloxan, Taractan, Truxal

>  <Target> (480)
Others

>  <Form> (480)
Free Base

>  <URL> (480)
http://www.selleckchem.com/products/Chlorprothixene.html

>  <CAS Number> (480)
113-59-7

>  <Plate Location> (480)
h9

>  <Rack Number> (480)
L1700-06

$$$$
TERRAMYCIN (oxytetracycline).cdx
csChFnd80/04011511122D

 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
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    6.2878    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
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    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
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  1  2  2  0  0  0  0
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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  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
  1 15  1  0  0  0  0
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 15 17  2  0  0  0  0
  2 18  1  0  0  0  0
  6 19  2  0  0  0  0
  3 20  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 10 23  2  0  0  0  0
 14 24  1  0  0  0  0
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 25 26  2  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> (481)
481

>  <Formula> (481)
C22H24N2O9

>  <MolWeight> (481)
460.43396

>  <Item Name> (481)
Oxytetracycline (Terramycin)

>  <Catalog Number> (481)
S1773

>  <Synonyms> (481)
Terramycin, Liquamycin

>  <Target> (481)
NULL

>  <Form> (481)
Free Base

>  <URL> (481)
http://www.selleckchem.com/products/Oxytetracycline(Terramycin).html

>  <CAS Number> (481)
79-57-2

>  <Plate Location> (481)
a10

>  <Rack Number> (481)
L1700-06

$$$$
TRECATOR (ethionamide).cdx
csChFnd80/04011511122D

 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> (482)
482

>  <Formula> (482)
C8H10N2S

>  <MolWeight> (482)
166.2434

>  <Item Name> (482)
Ethionamide

>  <Catalog Number> (482)
S1777

>  <Synonyms> (482)
2-ethylthioisonicotinamide, Trecator SC, Amidazine 

>  <Target> (482)
Others

>  <Form> (482)
Free Base

>  <URL> (482)
http://www.selleckchem.com/products/Ethionamide.html

>  <CAS Number> (482)
536-33-4

>  <Plate Location> (482)
c10

>  <Rack Number> (482)
L1700-06

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/04011511122D

 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
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  5  9  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 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> (483)
483

>  <Formula> (483)
C10H11F3N2O5

>  <MolWeight> (483)
296.1999496

>  <Item Name> (483)
Trifluridine (Viroptic)

>  <Catalog Number> (483)
S1778

>  <Synonyms> (483)
Viroptic, Trifluorothymidine

>  <Target> (483)
NULL

>  <Form> (483)
Free Base

>  <URL> (483)
http://www.selleckchem.com/products/Trifluridine(Viroptic).html

>  <CAS Number> (483)
70-00-8

>  <Plate Location> (483)
d10

>  <Rack Number> (483)
L1700-06

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/04011511122D

 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> (484)
484

>  <Formula> (484)
C8H12N4O5

>  <MolWeight> (484)
244.20468

>  <Item Name> (484)
Azacitidine (Vidaza)

>  <Catalog Number> (484)
S1782

>  <Synonyms> (484)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (484)
DNA/RNA Synthesis

>  <Form> (484)
Free Base

>  <URL> (484)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

>  <CAS Number> (484)
320-67-2

>  <Plate Location> (484)
e10

>  <Rack Number> (484)
L1700-06

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/04011511122D

 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> (485)
485

>  <Formula> (485)
C10H13N5O4

>  <MolWeight> (485)
267.24132

>  <Item Name> (485)
Vidarabine (Vira-A)

>  <Catalog Number> (485)
S1784

>  <Synonyms> (485)
Vira-A

>  <Target> (485)
5-alpha Reductase 

>  <Form> (485)
Free Base

>  <URL> (485)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

>  <CAS Number> (485)
5536-17-4

>  <Plate Location> (485)
f10

>  <Rack Number> (485)
L1700-06

$$$$
VUMON (teniposide).cdx
csChFnd80/04011511122D

 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
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   14.1554    9.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1937   10.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  9  1  0  0  0  0
 24 25  2  0  0  0  0
  9 26  1  6  0  0  0
  7 27  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 30 34  1  6  0  0  0
 28 27  1  6  0  0  0
 29 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 32 39  1  6  0  0  0
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 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 40  1  0  0  0  0
  5 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47  6  1  0  0  0  0
 31 36  1  1  0  0  0
M  END
>  <Mol_ID> (486)
486

>  <Formula> (486)
C32H32O13S

>  <MolWeight> (486)
656.65368

>  <Item Name> (486)
Teniposide (Vumon)

>  <Catalog Number> (486)
S1787

>  <Synonyms> (486)
Vumon, VM-26, Vehem, NSC 122819 

>  <Target> (486)
Others

>  <Form> (486)
Free Base

>  <URL> (486)
http://www.selleckchem.com/products/Teniposide(Vumon).html

>  <CAS Number> (486)
29767-20-2

>  <Plate Location> (486)
g10

>  <Rack Number> (486)
L1700-06

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (487)
487

>  <Formula> (487)
C43H51N3O11

>  <MolWeight> (487)
785.87854

>  <Item Name> (487)
Rifaximin (Xifaxan)

>  <Catalog Number> (487)
S1790

>  <Synonyms> (487)
Rifacol, Fatroximin

>  <Target> (487)
Others

>  <Form> (487)
Free Base

>  <URL> (487)
http://www.selleckchem.com/products/Rifaximin(Xifaxan).html

>  <CAS Number> (487)
80621-81-4

>  <Plate Location> (487)
h10

>  <Rack Number> (487)
L1700-06

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/04011511122D

 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
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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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 13 14  2  0  0  0  0
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 28 23  1  0  0  0  0
 25 29  2  0  0  0  0
 27 30  1  1  0  0  0
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M  END
>  <Mol_ID> (488)
488

>  <Formula> (488)
C25H38O5

>  <MolWeight> (488)
418.56622

>  <Item Name> (488)
Simvastatin (Zocor)

>  <Catalog Number> (488)
S1792

>  <Synonyms> (488)
Simlup, Simcard, Simvacor, Simvoget, Zorced 

>  <Target> (488)
Others

>  <Form> (488)
Free Base

>  <URL> (488)
http://www.selleckchem.com/products/Simvastatin(Zocor).html

>  <CAS Number> (488)
79902-63-9

>  <Plate Location> (488)
a11

>  <Rack Number> (488)
L1700-06

$$$$
ALTACE (ramipril).cdx
csChFnd80/04011511122D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.4122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6247    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4618    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    8.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8164    4.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1858    4.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8858    5.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9490    6.8597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1164    3.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (489)
489

>  <Formula> (489)
C23H32N2O5

>  <MolWeight> (489)
416.51058

>  <Item Name> (489)
Ramipril (Altace)

>  <Catalog Number> (489)
S1793

>  <Synonyms> (489)
Tritace

>  <Target> (489)
RAAS

>  <Form> (489)
Free Base

>  <URL> (489)
http://www.selleckchem.com/products/Ramipril(Altace).html

>  <CAS Number> (489)
87333-19-5

>  <Plate Location> (489)
b11

>  <Rack Number> (489)
L1700-06

$$$$
FENOFIBRATE (MICRONIZED) (fenofibrate).cdx
csChFnd80/04011511122D

 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> (490)
490

>  <Formula> (490)
C20H21ClO4

>  <MolWeight> (490)
360.83134

>  <Item Name> (490)
Fenofibrate (Tricor, Trilipix)

>  <Catalog Number> (490)
S1794

>  <Synonyms> (490)
Antara, Fenoglide, Fibricor, Lipofen, Lofibra, Triglide 

>  <Target> (490)
NULL

>  <Form> (490)
Free Base

>  <URL> (490)
http://www.selleckchem.com/products/Fenofibrate(Tricor).html

>  <CAS Number> (490)
49562-28-9

>  <Plate Location> (490)
c11

>  <Rack Number> (490)
L1700-06

$$$$
RANEXA (ranolazine).cdx
csChFnd80/04011511122D

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8976    0.0000 N   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
    6.0538    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1976    0.0000 N   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
    8.4744    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.7976    0.0000 C   0  0  3  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
   14.5198    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    4.8951    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
  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 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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 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
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (491)
491

>  <Formula> (491)
C24H33N3O4

>  <MolWeight> (491)
427.53652

>  <Item Name> (491)
Ranolazine (Ranexa)

>  <Catalog Number> (491)
S1799

>  <Synonyms> (491)
Ranexa

>  <Target> (491)
Others

>  <Form> (491)
Free Base

>  <URL> (491)
http://www.selleckchem.com/products/Ranolazine(Ranexa).html

>  <CAS Number> (491)
95635-55-5

>  <Plate Location> (491)
d11

>  <Rack Number> (491)
L1700-06

$$$$
RANITIDINE (ranitidine).cdx
csChFnd80/04011511122D

 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> (492)
492

>  <Formula> (492)
C13H23ClN4O3S

>  <MolWeight> (492)
350.86472

>  <Item Name> (492)
Ranitidine (Zantac)

>  <Catalog Number> (492)
S1801

>  <Synonyms> (492)
Azantac

>  <Target> (492)
NULL

>  <Form> (492)
Hydrochloride

>  <URL> (492)
http://www.selleckchem.com/products/Ranitidine-hydrochloride(Zantac).html

>  <CAS Number> (492)
66357-59-3

>  <Plate Location> (492)
e11

>  <Rack Number> (492)
L1700-06

$$$$
Acipimox.cdx
csChFnd80/04011511122D

 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> (493)
493

>  <Formula> (493)
C6H6N2O3

>  <MolWeight> (493)
154.12344

>  <Item Name> (493)
Acipimox 

>  <Catalog Number> (493)
S1806

>  <Synonyms> (493)
K-9321, Olbemox, Olbetam

>  <Target> (493)
Others

>  <Form> (493)
Free Base

>  <URL> (493)
http://www.selleckchem.com/products/Acipimox.html

>  <CAS Number> (493)
51037-30-0

>  <Plate Location> (493)
h11

>  <Rack Number> (493)
L1700-06

$$$$
Acyclovir.cdx
csChFnd80/04011511122D

 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
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    6.1917    4.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (494)
494

>  <Formula> (494)
C8H11N5O3

>  <MolWeight> (494)
225.20464

>  <Item Name> (494)
Acyclovir (Aciclovir)

>  <Catalog Number> (494)
S1807

>  <Synonyms> (494)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (494)
Others

>  <Form> (494)
Free Base

>  <URL> (494)
http://www.selleckchem.com/products/Acyclovir(Aciclovir).html

>  <CAS Number> (494)
59277-89-3 

>  <Plate Location> (494)
a1

>  <Rack Number> (494)
L1700-07

$$$$
ADALAT (nifedipine).cdx
csChFnd80/04011511122D

 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
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  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
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 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> (495)
495

>  <Formula> (495)
C17H18N2O6

>  <MolWeight> (495)
346.33462

>  <Item Name> (495)
Nifedipine (Adalat)

>  <Catalog Number> (495)
S1808

>  <Synonyms> (495)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (495)
Others

>  <Form> (495)
Free Base

>  <URL> (495)
http://www.selleckchem.com/products/Nifedipine(Adalat).html

>  <CAS Number> (495)
21829-25-4

>  <Plate Location> (495)
b1

>  <Rack Number> (495)
L1700-07

$$$$
Amiloride hydrochloride.cdx
csChFnd80/04011511122D

 16 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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 Cl  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
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   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 N   0  0  0  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
    7.2831    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1376    5.3651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  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  2  0  0  0  0
 11 14  2  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (496)
496

>  <Formula> (496)
C6H9Cl2N7O

>  <MolWeight> (496)
266.08796

>  <Item Name> (496)
Amiloride hydrochloride (Midamor)

>  <Catalog Number> (496)
S1811

>  <Synonyms> (496)
Midamor, Colectril, Amipramizide, Guanamprazine hydrochloride

>  <Target> (496)
Others

>  <Form> (496)
Hydrochloride

>  <URL> (496)
http://www.selleckchem.com/products/Amiloride-hydrochloride(Midamor).html

>  <CAS Number> (496)
2016-88-8

>  <Plate Location> (496)
c1

>  <Rack Number> (496)
L1700-07

$$$$
Azatadine dimaleate.cdx
csChFnd80/04011511122D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.0965    7.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7070    5.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1034    5.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8891    7.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    8.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8822    8.3639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    4.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7386    4.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    5.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    6.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7308    7.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276    7.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199    6.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199    5.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1248   11.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
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 34 37  2  0  0  0  0
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M  CFW  26 B_NG_STER 3
M  CFW  33 B_NG_STER 3
M  END
>  <Mol_ID> (497)
497

>  <Formula> (497)
C28H30N2O8

>  <MolWeight> (497)
522.5464

>  <Item Name> (497)
Azatadine maleate

>  <Catalog Number> (497)
S3186

>  <Synonyms> (497)
N/A 

>  <Target> (497)
Histamine Receptor

>  <Form> (497)
Maleate

>  <URL> (497)
http://www.selleckchem.com/products/azatadine-dimaleate.html

>  <CAS Number> (497)
3978-86-7

>  <Plate Location> (497)
h1

>  <Rack Number> (497)
L1700-16

$$$$
Baricitinib.cdx
csChFnd80/04011511122D

 26 29  0  0  0  0  0  0  0  0999 V2000
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    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
    0.7551    3.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    4.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924    3.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    8.5566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    8.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    6.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    5.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 25  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (498)
498

>  <Formula> (498)
C16H17N7O2S

>  <MolWeight> (498)
371.41688

>  <Item Name> (498)
Baricitinib (LY3009104)

>  <Catalog Number> (498)
S2851

>  <Synonyms> (498)
INCB 28050

>  <Target> (498)
JAK

>  <Form> (498)
Free Base

>  <URL> (498)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (498)
1187594-09-7

>  <Plate Location> (498)
c4

>  <Rack Number> (498)
L1700-14

$$$$
CTEP.cdx
csChFnd80/04011511122D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (499)
499

>  <Formula> (499)
C19H13ClF3N3O

>  <MolWeight> (499)
391.7742296

>  <Item Name> (499)
CTEP

>  <Catalog Number> (499)
S2861

>  <Target> (499)
GluR

>  <Form> (499)
Free Base

>  <URL> (499)
http://www.selleckchem.com/products/ctep.html

>  <CAS Number> (499)
871362-31-1

>  <Plate Location> (499)
e5

>  <Rack Number> (499)
L1700-14

$$$$
CAPITROL (chloroxine).cdx
csChFnd80/04011511122D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    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
    3.6331    2.8000    0.0000 C   0  0  0  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
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (500)
500

>  <Formula> (500)
C9H5Cl2NO

>  <MolWeight> (500)
214.0481

>  <Item Name> (500)
Chloroxine

>  <Catalog Number> (500)
S1839

>  <Synonyms> (500)
Capitrol

>  <Target> (500)
Others

>  <Form> (500)
Free Base

>  <URL> (500)
http://www.selleckchem.com/products/Chloroxine.html

>  <CAS Number> (500)
773-76-2

>  <Plate Location> (500)
g2

>  <Rack Number> (500)
L1700-07

$$$$
CEENU (lomustine).cdx
csChFnd80/04011511122D

 15 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
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8582    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> (501)
501

>  <Formula> (501)
C9H16ClN3O2

>  <MolWeight> (501)
233.69524

>  <Item Name> (501)
Lomustine (CeeNU)

>  <Catalog Number> (501)
S1840

>  <Synonyms> (501)
CCNU 

>  <Target> (501)
Others

>  <Form> (501)
Free Base

>  <URL> (501)
http://www.selleckchem.com/products/Lomustine(CeeNU).html

>  <CAS Number> (501)
13010-47-4

>  <Plate Location> (501)
h2

>  <Rack Number> (501)
L1700-07

$$$$
CHENIX (chenodiol).cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (502)
502

>  <Formula> (502)
C24H40O4

>  <MolWeight> (502)
392.572

>  <Item Name> (502)
Chenodeoxycholic acid

>  <Catalog Number> (502)
S1843

>  <Synonyms> (502)
Chenodiol, Chenodesoxycholic acid, Chenocholic acid 

>  <Target> (502)
NULL

>  <Form> (502)
Free Base

>  <URL> (502)
http://www.selleckchem.com/products/Chenodeoxycholic-acid.html

>  <CAS Number> (502)
474-25-9 

>  <Plate Location> (502)
a3

>  <Rack Number> (502)
L1700-07

$$$$
cimetidine.cdx
csChFnd80/04011511122D

 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
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    1.5200    4.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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M  END
>  <Mol_ID> (503)
503

>  <Formula> (503)
C10H16N6S

>  <MolWeight> (503)
252.33924

>  <Item Name> (503)
Cimetidine (Tagamet)

>  <Catalog Number> (503)
S1845

>  <Synonyms> (503)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (503)
NULL

>  <Form> (503)
Free Base

>  <URL> (503)
http://www.selleckchem.com/products/Cimetidine(Tagamet).html

>  <CAS Number> (503)
51481-61-9

>  <Plate Location> (503)
b3

>  <Rack Number> (503)
L1700-07

$$$$
clemastine fumarate.cdx
csChFnd80/04011511122D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (504)
504

>  <Formula> (504)
C25H30ClNO5

>  <MolWeight> (504)
459.9624

>  <Item Name> (504)
Clemastine Fumarate

>  <Catalog Number> (504)
S1847

>  <Synonyms> (504)
Tavist, Agasten 

>  <Target> (504)
Histamine Receptor

>  <Form> (504)
Free Base

>  <URL> (504)
http://www.selleckchem.com/products/Clemastine-Fumarate.html

>  <CAS Number> (504)
14976-57-9

>  <Plate Location> (504)
c3

>  <Rack Number> (504)
L1700-07

$$$$
Daidzein.cdx
csChFnd80/04011511122D

 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
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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M  END
>  <Mol_ID> (505)
505

>  <Formula> (505)
C15H10O4

>  <MolWeight> (505)
254.2375

>  <Item Name> (505)
Daidzein

>  <Catalog Number> (505)
S1849

>  <Synonyms> (505)
N/A

>  <Target> (505)
Others

>  <Form> (505)
Free Base

>  <URL> (505)
http://www.selleckchem.com/products/Daidzein.html

>  <CAS Number> (505)
486-66-8 

>  <Plate Location> (505)
e3

>  <Rack Number> (505)
L1700-07

$$$$
Methylthiouracil.cdx
csChFnd80/04011511122D

  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
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    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (506)
506

>  <Formula> (506)
C5H6N2OS

>  <MolWeight> (506)
142.17894

>  <Item Name> (506)
Methylthiouracil

>  <Catalog Number> (506)
S3138

>  <Synonyms> (506)
N/A

>  <Target> (506)
Others

>  <Form> (506)
Free Base

>  <URL> (506)
http://www.selleckchem.com/products/methylthiouracil.html

>  <CAS Number> (506)
56-04-2

>  <Plate Location> (506)
e9

>  <Rack Number> (506)
L1700-15

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/04011511122D

 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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (507)
507

>  <Formula> (507)
C6H7N3O

>  <MolWeight> (507)
137.13928

>  <Item Name> (507)
Isoniazid (Tubizid)

>  <Catalog Number> (507)
S1937

>  <Synonyms> (507)
Tubizid, Laniazid, Nydrazid, Isonicotinylhydrazine

>  <Target> (507)
Angiogenesis

>  <Form> (507)
Free Base

>  <URL> (507)
http://www.selleckchem.com/products/Isoniazid(Tubizid).html

>  <CAS Number> (507)
54-85-3

>  <Plate Location> (507)
a9

>  <Rack Number> (507)
L1700-07

$$$$
LEVOFLOXACIN (levofloxacin).cdx
csChFnd80/04011511122D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (508)
508

>  <Formula> (508)
C18H20FN3O4

>  <MolWeight> (508)
361.3675032

>  <Item Name> (508)
Levofloxacin (Levaquin)

>  <Catalog Number> (508)
S1940

>  <Synonyms> (508)
Levaquin, Tavanic

>  <Target> (508)
Others

>  <Form> (508)
Free Base

>  <URL> (508)
http://www.selleckchem.com/products/Levofloxacin(Levaquin).html

>  <CAS Number> (508)
100986-85-4

>  <Plate Location> (508)
b9

>  <Rack Number> (508)
L1700-07

$$$$
LEXXEL (enalapril maleate).cdx
csChFnd80/04011511122D

 35 35  0  0  0  0  0  0  0  0999 V2000
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 28 35  2  0  0  0  0
M  END
>  <Mol_ID> (509)
509

>  <Formula> (509)
C24H32N2O9

>  <MolWeight> (509)
492.51888

>  <Item Name> (509)
Enalapril maleate (Vasotec)

>  <Catalog Number> (509)
S1941

>  <Synonyms> (509)
Glioten, Renitec 

>  <Target> (509)
Opioid Receptor

>  <Form> (509)
Maleate

>  <URL> (509)
http://www.selleckchem.com/products/Enalapril-maleate(Vasotec).html

>  <CAS Number> (509)
76095-16-4

>  <Plate Location> (509)
c9

>  <Rack Number> (509)
L1700-07

$$$$
MENADIONE (menadione).cdx
csChFnd80/04011511122D

 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
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    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
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  6  1  1  0  0  0  0
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 10  5  1  0  0  0  0
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  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (510)
510

>  <Formula> (510)
C11H8O2

>  <MolWeight> (510)
172.18002

>  <Item Name> (510)
Menadione

>  <Catalog Number> (510)
S1949

>  <Synonyms> (510)
Vitamin K3

>  <Target> (510)
Others

>  <Form> (510)
Free Base

>  <URL> (510)
http://www.selleckchem.com/products/Menadione.html

>  <CAS Number> (510)
58-27-5

>  <Plate Location> (510)
d9

>  <Rack Number> (510)
L1700-07

$$$$
Methoxsalen.cdx
csChFnd80/04011511122D

 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
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    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    2.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  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> (511)
511

>  <Formula> (511)
C12H8O4

>  <MolWeight> (511)
216.18952

>  <Item Name> (511)
Methoxsalen (Oxsoralen)

>  <Catalog Number> (511)
S1952

>  <Synonyms> (511)
Xanthotoxin, Metoxaleno,  Dltasoralen, Meladinine, Uvadex

>  <Target> (511)
Others

>  <Form> (511)
Free Base

>  <URL> (511)
http://www.selleckchem.com/products/Methoxsalen(Oxsoralen).html

>  <CAS Number> (511)
298-81-7

>  <Plate Location> (511)
e9

>  <Rack Number> (511)
L1700-07

$$$$
Miconazole nitrate.cdx
csChFnd80/04011511122D

 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
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    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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    6.0496    4.8903    0.0000 N   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
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    6.1959    6.2826    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
    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
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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
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
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 21 22  1  0  0  0  0
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 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> (512)
512

>  <Formula> (512)
C18H15Cl4N3O4

>  <MolWeight> (512)
479.1414

>  <Item Name> (512)
Miconazole nitrate

>  <Catalog Number> (512)
S1956

>  <Synonyms> (512)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (512)
Others

>  <Form> (512)
Nitrate 

>  <URL> (512)
http://www.selleckchem.com/products/Miconazole-nitrate.html

>  <CAS Number> (512)
22832-87-7

>  <Plate Location> (512)
f9

>  <Rack Number> (512)
L1700-07

$$$$
MYSOLINE (primidone).cdx
csChFnd80/04011511122D

 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
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    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
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    4.5249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 15 10  1  0  0  0  0
  5 16  2  0  0  0  0
M  END
>  <Mol_ID> (513)
513

>  <Formula> (513)
C12H14N2O2

>  <MolWeight> (513)
218.25176

>  <Item Name> (513)
Primidone (Mysoline)

>  <Catalog Number> (513)
S1965

>  <Synonyms> (513)
Mysoline, Neurosyn, Mylepsin

>  <Target> (513)
Others

>  <Form> (513)
Free Base

>  <URL> (513)
http://www.selleckchem.com/products/Primidone(Mysoline).html

>  <CAS Number> (513)
125-33-7

>  <Plate Location> (513)
e10

>  <Rack Number> (513)
L1700-07

$$$$
Nefiracetam.cdx
csChFnd80/04011511122D

 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
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  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
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 17  2  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (514)
514

>  <Formula> (514)
C14H18N2O2

>  <MolWeight> (514)
246.30492

>  <Item Name> (514)
Nefiracetam (Translon)

>  <Catalog Number> (514)
S1969

>  <Synonyms> (514)
DM 9384, Translon, DZL-221

>  <Target> (514)
GABA Receptor

>  <Form> (514)
Free Base

>  <URL> (514)
http://www.selleckchem.com/products/Nefiracetam(Translon).html

>  <CAS Number> (514)
77191-36-7

>  <Plate Location> (514)
f10

>  <Rack Number> (514)
L1700-07

$$$$
Nicorandil.cdx
csChFnd80/04011511122D

 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
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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 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> (515)
515

>  <Formula> (515)
C8H9N3O4

>  <MolWeight> (515)
211.17476

>  <Item Name> (515)
Nicorandil (Ikorel)

>  <Catalog Number> (515)
S1971

>  <Synonyms> (515)
Ikorel, Dancor, Nikoran, Aprior, Nitorubin, Sigmart 

>  <Target> (515)
Others

>  <Form> (515)
Free Base

>  <URL> (515)
http://www.selleckchem.com/products/Nicorandil(Ikorel).html

>  <CAS Number> (515)
65141-46-0

>  <Plate Location> (515)
g10

>  <Rack Number> (515)
L1700-07

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/04011511122D

 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
    2.3422    8.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    9.6283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.4654   10.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8224   11.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.4720   11.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6656    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0905    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  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> (516)
516

>  <Formula> (516)
C32H37NO8

>  <MolWeight> (516)
563.63808

>  <Item Name> (516)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (516)
S1972

>  <Synonyms> (516)
Istubal

>  <Target> (516)
Estrogen/progestogen Receptor

>  <Form> (516)
Citrate

>  <URL> (516)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (516)
54965-24-1

>  <Plate Location> (516)
h10

>  <Rack Number> (516)
L1700-07

$$$$
PAMINE (methscopolamine bromide).cdx
csChFnd80/04011511122D

 28 30  0  0  0  0  0  0  0  0999 V2000
    7.4333    7.3555    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    2.2928    4.7304    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9900    4.2187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5882    5.4844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8713    6.0431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2928    7.4943    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1568    5.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6005    4.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9528    4.5934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1929    5.3696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028    8.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827    8.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2479    6.8374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    3.3353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8712    7.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4974    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0810    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7057    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4974    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7099    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
 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
 19 22  1  1  0  0  0
 22 23  1  0  0  0  0
 21 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 21  1  0  0  0  0
M  END
>  <Mol_ID> (517)
517

>  <Formula> (517)
C18H24BrNO4

>  <MolWeight> (517)
398.29146

>  <Item Name> (517)
Methscopolamine (Pamine)

>  <Catalog Number> (517)
S1978

>  <Synonyms> (517)
N/A 

>  <Target> (517)
AChR

>  <Form> (517)
Bromide

>  <URL> (517)
http://www.selleckchem.com/products/Methscopolamine-bromide(Pamine).html

>  <CAS Number> (517)
155-41-9

>  <Plate Location> (517)
d11

>  <Rack Number> (517)
L1700-07

$$$$
PROPYLTHIOURACIL (propylthiouracil).cdx
csChFnd80/04011511122D

 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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  4 11  2  0  0  0  0
M  END
>  <Mol_ID> (518)
518

>  <Formula> (518)
C7H10N2OS

>  <MolWeight> (518)
170.2321

>  <Item Name> (518)
Propylthiouracil

>  <Catalog Number> (518)
S1988

>  <Synonyms> (518)
6-n-Propylthiouracil

>  <Target> (518)
Others

>  <Form> (518)
Free Base

>  <URL> (518)
http://www.selleckchem.com/products/Propylthiouracil.html

>  <CAS Number> (518)
51-52-5

>  <Plate Location> (518)
h11

>  <Rack Number> (518)
L1700-07

$$$$
untitled.cdx
csChFnd80/04011511122D

 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
    7.2788    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    7.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    9.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955   10.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246   10.5152    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    7.7104    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    6.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8466    1.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445    0.0012    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
  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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 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
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 13 19  1  0  0  0  0
 18 20  1  0  0  0  0
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 21 19  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  1  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (519)
519

>  <Formula> (519)
C23H23ClFNO5

>  <MolWeight> (519)
447.8838232

>  <Item Name> (519)
Elvitegravir (GS-9137)

>  <Catalog Number> (519)
S2001

>  <Synonyms> (519)
N/A 

>  <Target> (519)
Integrase 

>  <Form> (519)
Free Base

>  <URL> (519)
http://www.selleckchem.com/products/Elvitegravir.html

>  <CAS Number> (519)
697761-98-1

>  <Plate Location> (519)
c1

>  <Rack Number> (519)
L1700-08

$$$$
untitled.cdx
csChFnd80/04011511122D

 37 41  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.1851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.5802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    6.5802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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520

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C29H41F2N5O

>  <MolWeight> (520)
513.6655464

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Maraviroc

>  <Catalog Number> (520)
S2003

>  <Synonyms> (520)
UK-427857, Celsentri 

>  <Target> (520)
CCR5 

>  <Form> (520)
Free Base

>  <URL> (520)
http://www.selleckchem.com/products/Maraviroc.html

>  <CAS Number> (520)
376348-65-1

>  <Plate Location> (520)
d1

>  <Rack Number> (520)
L1700-08

$$$$
Raltegravir.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (521)
521

>  <Formula> (521)
C20H21FN6O5

>  <MolWeight> (521)
444.4163432

>  <Item Name> (521)
Raltegravir (MK-0518)

>  <Catalog Number> (521)
S2005

>  <Synonyms> (521)
Isentress 

>  <Target> (521)
Integrase

>  <Form> (521)
Free Base

>  <URL> (521)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

>  <CAS Number> (521)
518048-05-0

>  <Plate Location> (521)
e1

>  <Rack Number> (521)
L1700-08

$$$$
pyrimethamine.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (522)
522

>  <Formula> (522)
C12H13ClN4

>  <MolWeight> (522)
248.71142

>  <Item Name> (522)
Pyrimethamine

>  <Catalog Number> (522)
S2006

>  <Synonyms> (522)
Daraprim

>  <Target> (522)
NULL

>  <Form> (522)
Free Base

>  <URL> (522)
http://www.selleckchem.com/products/Pyrimethamine.html

>  <CAS Number> (522)
58-14-0

>  <Plate Location> (522)
f1

>  <Rack Number> (522)
L1700-08

$$$$
Sulindac.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (523)
523

>  <Formula> (523)
C20H17FO3S

>  <MolWeight> (523)
356.4105832

>  <Item Name> (523)
Sulindac (Clinoril)

>  <Catalog Number> (523)
S2007

>  <Synonyms> (523)
Clinoril, Aflodac, Sulreuma

>  <Target> (523)
NULL

>  <Form> (523)
Free Base

>  <URL> (523)
http://www.selleckchem.com/products/Sulindac(Clinoril).html

>  <CAS Number> (523)
38194-50-2

>  <Plate Location> (523)
g1

>  <Rack Number> (523)
L1700-08

$$$$
Sclareolide.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (524)
524

>  <Formula> (524)
C16H26O2

>  <MolWeight> (524)
250.37644

>  <Item Name> (524)
Sclareolide (Norambreinolide)

>  <Catalog Number> (524)
S2355

>  <Synonyms> (524)
Norambreinolide

>  <Target> (524)
Others

>  <Form> (524)
Free Base

>  <URL> (524)
http://www.selleckchem.com/products/Sclareolide(Norambreinolide).html

>  <CAS Number> (524)
564-20-5

>  <Plate Location> (524)
b7

>  <Rack Number> (524)
L1700-10

$$$$
Shikimic acid.cdx
csChFnd80/04011511122D

 12 12  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  3  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6331    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  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    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    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
    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
  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
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  7  8  2  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
  4 12  1  1  0  0  0
M  END
>  <Mol_ID> (525)
525

>  <Formula> (525)
C7H10O5

>  <MolWeight> (525)
174.1513

>  <Item Name> (525)
Shikimic acid (Shikimate)

>  <Catalog Number> (525)
S2356

>  <Synonyms> (525)
Shikimate, Bracken fern toxic component, L-Shikimic acid 

>  <Target> (525)
Others

>  <Form> (525)
Free Base

>  <URL> (525)
http://www.selleckchem.com/products/Shikimic-acid(Shikimate).html

>  <CAS Number> (525)
138-59-0 

>  <Plate Location> (525)
c7

>  <Rack Number> (525)
L1700-10

$$$$
Silibinin.cdx
csChFnd80/04011511122D

 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
    6.0538    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   12.1159    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3284    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    4.1951    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
    4.8413    2.0951    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
    1.2082    4.1927    0.0000 O   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
    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 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> (526)
526

>  <Formula> (526)
C25H22O10

>  <MolWeight> (526)
482.43618

>  <Item Name> (526)
Silibinin (Silybin)

>  <Catalog Number> (526)
S2357

>  <Synonyms> (526)
Silybin

>  <Target> (526)
Others

>  <Form> (526)
Free Base

>  <URL> (526)
http://www.selleckchem.com/products/Silibinin(Silybin).html

>  <CAS Number> (526)
22888-70-6

>  <Plate Location> (526)
d7

>  <Rack Number> (526)
L1700-10

$$$$
Silymarin.cdx
csChFnd80/04011511122D

 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
    8.3927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5927    2.4207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8927    3.6331    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.9927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5927    4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0927    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6927    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    2.4207    0.0000 O   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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6903    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903    7.2662    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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  3  7  1  0  0  0  0
  8  9  1  0  0  0  0
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 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 11  2  0  0  0  0
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 19 14  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 21 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 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> (527)
527

>  <Formula> (527)
C25H22O10

>  <MolWeight> (527)
482.43618

>  <Item Name> (527)
Silymarin (Silybin B)

>  <Catalog Number> (527)
S2358

>  <Synonyms> (527)
Silybin B, Silibinin B

>  <Target> (527)
NULL

>  <Form> (527)
Free Base

>  <URL> (527)
http://www.selleckchem.com/products/Silymarin(Silybin-B).html

>  <CAS Number> (527)
65666-07-1

>  <Plate Location> (527)
e7

>  <Rack Number> (527)
L1700-10

$$$$
Sinomenine.cdx
csChFnd80/04011511122D

 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
    2.4207    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
    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
  2  3  1  0  0  0  0
  3  4  2  0  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
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
  8 25  1  6  0  0  0
M  END
>  <Mol_ID> (528)
528

>  <Formula> (528)
C19H23NO4

>  <MolWeight> (528)
329.39022

>  <Item Name> (528)
Sinomenine (Cucoline)

>  <Catalog Number> (528)
S2359

>  <Synonyms> (528)
Cucoline, Kukoline, Coculine, Sabianine A 

>  <Target> (528)
Others

>  <Form> (528)
Free Base

>  <URL> (528)
http://www.selleckchem.com/products/Sinomenine(Cucoline).html

>  <CAS Number> (528)
115-53-7

>  <Plate Location> (528)
f7

>  <Rack Number> (528)
L1700-10

$$$$
Synephrine.cdx
csChFnd80/04011511122D

 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> (529)
529

>  <Formula> (529)
C9H13NO2

>  <MolWeight> (529)
167.20502

>  <Item Name> (529)
Synephrine (Oxedrine)

>  <Catalog Number> (529)
S2362

>  <Synonyms> (529)
Oxedrine, p-Synephrine, Sympatol, Parasympatol, Sympaethamine 

>  <Target> (529)
Androgen Receptor

>  <Form> (529)
Free Base

>  <URL> (529)
http://www.selleckchem.com/products/Synephrine(Oxedrine).html

>  <CAS Number> (529)
94-07-5

>  <Plate Location> (529)
g7

>  <Rack Number> (529)
L1700-10

$$$$
Tangeretin.cdx
csChFnd80/04011511122D

 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
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    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
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    6.1978    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8309    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2516    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (530)
530

>  <Formula> (530)
C20H20O7

>  <MolWeight> (530)
372.3686

>  <Item Name> (530)
Tangeretin (Tangeritin)

>  <Catalog Number> (530)
S2363

>  <Synonyms> (530)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (530)
Others

>  <Form> (530)
Free Base

>  <URL> (530)
http://www.selleckchem.com/products/Tangeretin(Tangeritin).html

>  <CAS Number> (530)
481-53-8

>  <Plate Location> (530)
h7

>  <Rack Number> (530)
L1700-10

$$$$
Tanshinone I.cdx
csChFnd80/04011511122D

 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> (531)
531

>  <Formula> (531)
C18H12O3

>  <MolWeight> (531)
276.28608

>  <Item Name> (531)
Tanshinone I

>  <Catalog Number> (531)
S2364

>  <Synonyms> (531)
N/A

>  <Target> (531)
Others

>  <Form> (531)
Free Base

>  <URL> (531)
http://www.selleckchem.com/products/Tanshinone-I.html

>  <CAS Number> (531)
568-73-0

>  <Plate Location> (531)
a8

>  <Rack Number> (531)
L1700-10

$$$$
Tanshinone IIA.cdx
csChFnd80/04011511122D

 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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  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> (532)
532

>  <Formula> (532)
C19H18O3

>  <MolWeight> (532)
294.34442

>  <Item Name> (532)
Tanshinone IIA (Tanshinone B)

>  <Catalog Number> (532)
S2365

>  <Synonyms> (532)
Tanshinone B, Tanshinone II

>  <Target> (532)
Others

>  <Form> (532)
Free Base

>  <URL> (532)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

>  <CAS Number> (532)
568-72-9

>  <Plate Location> (532)
b8

>  <Rack Number> (532)
L1700-10

$$$$
Tetrahydropapaverine hydrochloride.cdx
csChFnd80/04011511122D

 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
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    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
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   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> (533)
533

>  <Formula> (533)
C20H26ClNO4

>  <MolWeight> (533)
379.87774

>  <Item Name> (533)
Tetrahydropapaverine hydrochloride

>  <Catalog Number> (533)
S2367

>  <Synonyms> (533)
N/A

>  <Target> (533)
Others

>  <Form> (533)
Hydrochloride

>  <URL> (533)
http://www.selleckchem.com/products/Tetrahydropapaverine-hydrochloride.html

>  <CAS Number> (533)
6429-04-5 

>  <Plate Location> (533)
d8

>  <Rack Number> (533)
L1700-10

$$$$
Troxerutin.cdx
csChFnd80/04011511122D

 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
   15.7490    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7490    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.4786    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
  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
 13  9  1  0  0  0  0
 11 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
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 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> (534)
534

>  <Formula> (534)
C33H42O19

>  <MolWeight> (534)
742.67518

>  <Item Name> (534)
Troxerutin

>  <Catalog Number> (534)
S2369

>  <Synonyms> (534)
Trihydroxyethylrutin, Troxerutin

>  <Target> (534)
Others

>  <Form> (534)
Free Base

>  <URL> (534)
http://www.selleckchem.com/products/Troxerutin.html

>  <CAS Number> (534)
7085-55-4

>  <Plate Location> (534)
e8

>  <Rack Number> (534)
L1700-10

$$$$
Ursolic acid.cdx
csChFnd80/04011511122D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.4124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4828    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    7.5124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6953    9.6076    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  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
  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> (535)
535

>  <Formula> (535)
C30H48O3

>  <MolWeight> (535)
456.70032

>  <Item Name> (535)
Ursolic acid (Malol)

>  <Catalog Number> (535)
S2370

>  <Synonyms> (535)
Malol, Prunol, Urson

>  <Target> (535)
Others

>  <Form> (535)
Free Base

>  <URL> (535)
http://www.selleckchem.com/products/Ursolic-acid(Malol).html

>  <CAS Number> (535)
77-52-1

>  <Plate Location> (535)
f8

>  <Rack Number> (535)
L1700-10

$$$$
Vanillylacetone.cdx
csChFnd80/04011511122D

 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> (536)
536

>  <Formula> (536)
C11H14O3

>  <MolWeight> (536)
194.22706

>  <Item Name> (536)
Vanillylacetone

>  <Catalog Number> (536)
S2371

>  <Synonyms> (536)
N/A

>  <Target> (536)
Others

>  <Form> (536)
Free Base

>  <URL> (536)
http://www.selleckchem.com/products/Vanillylacetone.html

>  <CAS Number> (536)
122-48-5

>  <Plate Location> (536)
g8

>  <Rack Number> (536)
L1700-10

$$$$
Xanthone.cdx
csChFnd80/04011511122D

 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
 12 13  1  0  0  0  0
 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> (537)
537

>  <Formula> (537)
C13H8O2

>  <MolWeight> (537)
196.20142

>  <Item Name> (537)
Xanthone (Genicide)

>  <Catalog Number> (537)
S2372

>  <Synonyms> (537)
Genicide, Benzophenone oxide, Diphenylene ketone oxide 

>  <Target> (537)
Others

>  <Form> (537)
Free Base

>  <URL> (537)
http://www.selleckchem.com/products/Xanthone(Genicide).html

>  <CAS Number> (537)
90-47-1 

>  <Plate Location> (537)
h8

>  <Rack Number> (537)
L1700-10

$$$$
Yohimbine hydrochloride.cdx
csChFnd80/04011511122D

 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
    7.6731    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (538)
538

>  <Formula> (538)
C21H27ClN2O3

>  <MolWeight> (538)
390.90368

>  <Item Name> (538)
Yohimbine hydrochloride (Antagonil)

>  <Catalog Number> (538)
S2373

>  <Synonyms> (538)
Antagonil, Yohimbe, Aphrodine hydrochloride, Yohimbine monohydrochloride 

>  <Target> (538)
NULL

>  <Form> (538)
Hydrochloride

>  <URL> (538)
http://www.selleckchem.com/products/Yohimbine-hydrochloride(Antagonil).html

>  <CAS Number> (538)
65-19-0 

>  <Plate Location> (538)
a9

>  <Rack Number> (538)
L1700-10

$$$$
5-HTP.cdx
csChFnd80/04011511122D

 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> (539)
539

>  <Formula> (539)
C11H12N2O3

>  <MolWeight> (539)
220.22458

>  <Item Name> (539)
5-hydroxytryptophan (5-HTP)

>  <Catalog Number> (539)
S2374

>  <Synonyms> (539)
N/A 

>  <Target> (539)
Others

>  <Form> (539)
Free Base

>  <URL> (539)
http://www.selleckchem.com/products/5-hydroxytryptophan(5-HTP).html

>  <CAS Number> (539)
56-69-9

>  <Plate Location> (539)
b9

>  <Rack Number> (539)
L1700-10

$$$$
Aloin.cdx
csChFnd80/04011511122D

 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
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    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (540)
540

>  <Formula> (540)
C21H22O9

>  <MolWeight> (540)
418.39398

>  <Item Name> (540)
Aloin (Barbaloin)

>  <Catalog Number> (540)
S2375 

>  <Synonyms> (540)
Barbaloin

>  <Target> (540)
Others

>  <Form> (540)
Free Base

>  <URL> (540)
http://www.selleckchem.com/products/Aloin(Barbaloin).html

>  <CAS Number> (540)
1415-73-2 

>  <Plate Location> (540)
c9

>  <Rack Number> (540)
L1700-10

$$$$
Ammonium Glycyrrhizinate.cdx
csChFnd80/04011511122D

 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
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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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    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
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   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
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   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
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   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
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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
  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
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 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
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 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
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 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> (541)
541

>  <Formula> (541)
C42H65NO16

>  <MolWeight> (541)
839.9626

>  <Item Name> (541)
Ammonium Glycyrrhizinate (AMGZ)

>  <Catalog Number> (541)
S2376

>  <Synonyms> (541)
AMGZ

>  <Target> (541)
Others

>  <Form> (541)
Glycyrrhizinate

>  <URL> (541)
http://www.selleckchem.com/products/Ammonium-Glycyrrhizinate(AMGZ).html

>  <CAS Number> (541)
1407-03-0

>  <Plate Location> (541)
d9

>  <Rack Number> (541)
L1700-10

$$$$
Biochanin A.cdx
csChFnd80/04011511122D

 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
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    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
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    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
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    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  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
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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
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (542)
542

>  <Formula> (542)
C16H12O5

>  <MolWeight> (542)
284.26348

>  <Item Name> (542)
Biochanin A (4-Methylgenistein)

>  <Catalog Number> (542)
S2377

>  <Synonyms> (542)
4-Methylgenistein

>  <Target> (542)
Others

>  <Form> (542)
Free Base

>  <URL> (542)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

>  <CAS Number> (542)
491-80-5

>  <Plate Location> (542)
e9

>  <Rack Number> (542)
L1700-10

$$$$
Butylscopolamine bromide.cdx
csChFnd80/04011511122D

 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
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    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> (543)
543

>  <Formula> (543)
C21H30BrNO4

>  <MolWeight> (543)
440.3712

>  <Item Name> (543)
Butylscopolamine bromide (Scopolamine butylb

>  <Catalog Number> (543)
S2378

>  <Synonyms> (543)
Scopolamine butylbromide, Butylhyoscine

>  <Target> (543)
Others

>  <Form> (543)
Bromide

>  <URL> (543)
http://www.selleckchem.com/products/Butylscopolamine-bromide(Scopolamine-butylbromide).html

>  <CAS Number> (543)
149-64-4

>  <Plate Location> (543)
f9

>  <Rack Number> (543)
L1700-10

$$$$
Dioscin.cdx
csChFnd80/04011511122D

 69 77  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.9097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    7.5097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.8097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    7.5097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    9.6097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    9.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    7.5097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4828    8.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.6097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6953    6.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3326   10.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5450    8.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.2097    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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  2 61  1  6  0  0  0
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 31 68  1  6  0  0  0
 45 69  1  0  0  0  0
M  END
>  <Mol_ID> (544)
544

>  <Formula> (544)
C45H72O16

>  <MolWeight> (544)
869.04358

>  <Item Name> (544)
Dioscin (Collettiside III)

>  <Catalog Number> (544)
S2379

>  <Synonyms> (544)
Collettiside III, CCRIS 4123 

>  <Target> (544)
Others

>  <Form> (544)
Free Base

>  <URL> (544)
http://www.selleckchem.com/products/Dioscin(Collettiside-III).html

>  <CAS Number> (544)
19057-60-4 

>  <Plate Location> (544)
g9

>  <Rack Number> (544)
L1700-10

$$$$
Diosmetin.cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (545)
545

>  <Formula> (545)
C16H12O6

>  <MolWeight> (545)
300.26288

>  <Item Name> (545)
Diosmetin (Luteolin 4-methyl ether)

>  <Catalog Number> (545)
S2380

>  <Synonyms> (545)
Luteolin 4-methyl ether

>  <Target> (545)
Others

>  <Form> (545)
Free Base

>  <URL> (545)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

>  <CAS Number> (545)
520-34-3

>  <Plate Location> (545)
h9

>  <Rack Number> (545)
L1700-10

$$$$
D-Mannitol.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (546)
546

>  <Formula> (546)
C6H14O6

>  <MolWeight> (546)
182.17176

>  <Item Name> (546)
D-Mannitol (Osmitrol)

>  <Catalog Number> (546)
S2381 

>  <Synonyms> (546)
Mannitol, Osmitrol, Osmofundin

>  <Target> (546)
Others

>  <Form> (546)
Free Base

>  <URL> (546)
http://www.selleckchem.com/products/D-Mannitol(Osmitrol).html

>  <CAS Number> (546)
69-65-8 

>  <Plate Location> (546)
a10

>  <Rack Number> (546)
L1700-10

$$$$
Gastrodin.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (547)
547

>  <Formula> (547)
C13H18O7

>  <MolWeight> (547)
286.27782

>  <Item Name> (547)
Gastrodin (Gastrodine)

>  <Catalog Number> (547)
S2383

>  <Synonyms> (547)
Gastrodine

>  <Target> (547)
Others

>  <Form> (547)
Free Base

>  <URL> (547)
http://www.selleckchem.com/products/Gastrodin(Gastrodine).html

>  <CAS Number> (547)
62499-27-8 

>  <Plate Location> (547)
b10

>  <Rack Number> (547)
L1700-10

$$$$
Hematoxylin.cdx
csChFnd80/04011511122D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (548)
548

>  <Formula> (548)
C16H14O6

>  <MolWeight> (548)
302.27876

>  <Item Name> (548)
Hematoxylin (Hydroxybrazilin)

>  <Catalog Number> (548)
S2384

>  <Synonyms> (548)
Hydroxybrazilin, Natural Black 1

>  <Target> (548)
Others

>  <Form> (548)
Free Base

>  <URL> (548)
http://www.selleckchem.com/products/Hematoxylin(Hydroxybrazilin).html

>  <CAS Number> (548)
517-28-2

>  <Plate Location> (548)
c10

>  <Rack Number> (548)
L1700-10

$$$$
Hordenine.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (549)
549

>  <Formula> (549)
C10H15NO

>  <MolWeight> (549)
165.2322

>  <Item Name> (549)
Hordenine

>  <Catalog Number> (549)
S2385

>  <Synonyms> (549)
N,N-dimethyl-4-hydroxyphenylethylamine 

>  <Target> (549)
Others

>  <Form> (549)
Free Base

>  <URL> (549)
http://www.selleckchem.com/products/Hordenine.html

>  <CAS Number> (549)
539-15-1 

>  <Plate Location> (549)
d10

>  <Rack Number> (549)
L1700-10

$$$$
Indirubin.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (550)
550

>  <Formula> (550)
C16H10N2O2

>  <MolWeight> (550)
262.2628

>  <Item Name> (550)
Indirubin

>  <Catalog Number> (550)
S2386

>  <Synonyms> (550)
N/A

>  <Target> (550)
GSK-3

>  <Form> (550)
Free Base

>  <URL> (550)
http://www.selleckchem.com/products/Indirubin.html

>  <CAS Number> (550)
479-41-4 

>  <Plate Location> (550)
e10

>  <Rack Number> (550)
L1700-10

$$$$
Lappaconite Hydrobromide.cdx
csChFnd80/04011511122D

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   11.7016   12.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11  7  1  0  0  0  0
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 16 17  1  0  0  0  0
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 20 21  2  0  0  0  0
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 23 17  1  0  0  0  0
 19 24  1  0  0  0  0
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 25 26  2  0  0  0  0
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 28 29  1  0  0  0  0
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 30 29  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 28 33  1  6  0  0  0
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 29 35  1  1  0  0  0
 31 36  1  1  0  0  0
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 38 39  1  0  0  0  0
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 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> (551)
551

>  <Formula> (551)
C32H45BrN2O8

>  <MolWeight> (551)
665.6123

>  <Item Name> (551)
Lappaconite Hydrobromide

>  <Catalog Number> (551)
S2387

>  <Synonyms> (551)
N/A

>  <Target> (551)
Others

>  <Form> (551)
Hydrobromide

>  <URL> (551)
http://www.selleckchem.com/products/Lappaconite-Hydrobromide.html

>  <CAS Number> (551)
97792-45-5 

>  <Plate Location> (551)
f10

>  <Rack Number> (551)
L1700-10

$$$$
Naringin Dihydrochalcone.cdx
csChFnd80/04011511122D

 42 45  0  0  0  0  0  0  0  0999 V2000
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   14.4818    9.4565    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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 18 12  1  0  0  0  0
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  1 20  1  0  0  0  0
 21 20  1  1  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 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
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 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> (552)
552

>  <Formula> (552)
C27H34O14

>  <MolWeight> (552)
582.55046

>  <Item Name> (552)
Naringin Dihydrochalcone (Naringin DC)

>  <Catalog Number> (552)
S2389 

>  <Synonyms> (552)
Naringin DC

>  <Target> (552)
Others

>  <Form> (552)
Free Base

>  <URL> (552)
http://www.selleckchem.com/products/Naringin-Dihydrochalcone(Naringin-DC).html

>  <CAS Number> (552)
18916-17-1

>  <Plate Location> (552)
g10

>  <Rack Number> (552)
L1700-10

$$$$
Polydatin.cdx
csChFnd80/04011511122D

 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
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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
  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
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 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> (553)
553

>  <Formula> (553)
C20H22O8

>  <MolWeight> (553)
390.38388

>  <Item Name> (553)
Polydatin(Piceid)

>  <Catalog Number> (553)
S2390

>  <Synonyms> (553)
Piceid, 3,4,5-Tsg, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside 

>  <Target> (553)
Others

>  <Form> (553)
Free Base

>  <URL> (553)
http://www.selleckchem.com/products/Polydatin(Piceid).html

>  <CAS Number> (553)
65914-17-2

>  <Plate Location> (553)
h10

>  <Rack Number> (553)
L1700-10

$$$$
Quercetin.cdx
csChFnd80/04011511122D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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> (554)
554

>  <Formula> (554)
C15H10O7

>  <MolWeight> (554)
302.2357

>  <Item Name> (554)
Quercetin (Sophoretin)

>  <Catalog Number> (554)
S2391

>  <Synonyms> (554)
Meletin, Quercetine

>  <Target> (554)
PI3K, PKC, Src, Sirtuin

>  <Form> (554)
Free Base

>  <URL> (554)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

>  <CAS Number> (554)
117-39-5

>  <Plate Location> (554)
a11

>  <Rack Number> (554)
L1700-10

$$$$
Sesamin.cdx
csChFnd80/04011511122D

 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
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   10.1691    5.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C20H18O6

>  <MolWeight> (555)
354.35332

>  <Item Name> (555)
Sesamin (Fagarol)

>  <Catalog Number> (555)
S2392

>  <Synonyms> (555)
Fagarol, Sezamin

>  <Target> (555)
Others

>  <Form> (555)
Free Base

>  <URL> (555)
http://www.selleckchem.com/products/Sesamin(Fagarol).html

>  <CAS Number> (555)
607-80-7

>  <Plate Location> (555)
b11

>  <Rack Number> (555)
L1700-10

$$$$
Sorbitol.cdx
csChFnd80/04011511122D

 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
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    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
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  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> (556)
556

>  <Formula> (556)
C6H14O6

>  <MolWeight> (556)
182.17176

>  <Item Name> (556)
Sorbitol (Glucitol)

>  <Catalog Number> (556)
S2393

>  <Synonyms> (556)
Glucitol 

>  <Target> (556)
Others

>  <Form> (556)
Free Base

>  <URL> (556)
http://www.selleckchem.com/products/Sorbitol(Glucitol).html

>  <CAS Number> (556)
50-70-4 

>  <Plate Location> (556)
c11

>  <Rack Number> (556)
L1700-10

$$$$
Naringenin.cdx
csChFnd80/04011511122D

 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
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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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    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
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (557)
557

>  <Formula> (557)
C15H12O5

>  <MolWeight> (557)
272.25278

>  <Item Name> (557)
Naringenin

>  <Catalog Number> (557)
S2394

>  <Synonyms> (557)
N/A

>  <Target> (557)
P450

>  <Form> (557)
Free Base

>  <URL> (557)
http://www.selleckchem.com/products/Naringenin.html

>  <CAS Number> (557)
480-41-1

>  <Plate Location> (557)
d11

>  <Rack Number> (557)
L1700-10

$$$$
Rheochrysidin.cdx
csChFnd80/04011511122D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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    7.2704    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
 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
  1 16  1  0  0  0  0
 10 17  2  0  0  0  0
  7 18  2  0  0  0  0
 11 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (558)
558

>  <Formula> (558)
C16H12O5

>  <MolWeight> (558)
284.26348

>  <Item Name> (558)
Rheochrysidin (Physcione)

>  <Catalog Number> (558)
S2395

>  <Synonyms> (558)
Physcion, Physcione, Parietin, Emodin 3-methyl ether, NSC 251670 

>  <Target> (558)
Others

>  <Form> (558)
Free Base

>  <URL> (558)
http://www.selleckchem.com/products/Rheochrysidin-Physcione.html

>  <CAS Number> (558)
521-61-9

>  <Plate Location> (558)
e11

>  <Rack Number> (558)
L1700-10

$$$$
Salidroside.cdx
csChFnd80/04011511122D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    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    4.1927    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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  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
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  2 19  1  6  0  0  0
  4 20  1  6  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (559)
559

>  <Formula> (559)
C14H20O7

>  <MolWeight> (559)
300.3044

>  <Item Name> (559)
Salidroside (Rhodioloside)

>  <Catalog Number> (559)
S2396

>  <Synonyms> (559)
Rhodioloside

>  <Target> (559)
Others

>  <Form> (559)
Free Base

>  <URL> (559)
http://www.selleckchem.com/products/Salidroside-Rhodioloside.html

>  <CAS Number> (559)
10338-51-9

>  <Plate Location> (559)
f11

>  <Rack Number> (559)
L1700-10

$$$$
Palmatine hydrochloride.cdx
csChFnd80/04011511122D

 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
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    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    8.4828    2.7951    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
  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> (560)
560

>  <Formula> (560)
C21H22ClNO4

>  <MolWeight> (560)
387.85668

>  <Item Name> (560)
Palmatine chloride

>  <Catalog Number> (560)
S2397

>  <Synonyms> (560)
Palmatine hydrochloride

>  <Target> (560)
Others

>  <Form> (560)
Chloride

>  <URL> (560)
http://www.selleckchem.com/products/Palmatine-chloride.html

>  <CAS Number> (560)
10605-02-4

>  <Plate Location> (560)
g11

>  <Rack Number> (560)
L1700-10

$$$$
TRANCOPAL (chlormezanone).cdx
csChFnd80/04011511122D

 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
  2  3  1  0  0  0  0
  3  4  2  0  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
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
M  END
>  <Mol_ID> (561)
561

>  <Formula> (561)
C11H12ClNO3S

>  <MolWeight> (561)
273.73588

>  <Item Name> (561)
Chlormezanone (Trancopal)

>  <Catalog Number> (561)
S2021

>  <Synonyms> (561)
Trancopal

>  <Target> (561)
Others

>  <Form> (561)
Free Base

>  <URL> (561)
http://www.selleckchem.com/products/Chlormezanone(Trancopal).html

>  <CAS Number> (561)
80-77-3

>  <Plate Location> (561)
g2

>  <Rack Number> (561)
L1700-08

$$$$
ATACAND (candesartan cilexetil).cdx
csChFnd80/04011511122D

 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> (562)
562

>  <Formula> (562)
C33H34N6O6

>  <MolWeight> (562)
610.65966

>  <Item Name> (562)
Candesartan cilexetil (Atacand)

>  <Catalog Number> (562)
S2037

>  <Synonyms> (562)
Atacand, Amias, Blopress, Ratacand, TCV 116, TCY 116 

>  <Target> (562)
Others

>  <Form> (562)
Free Base

>  <URL> (562)
http://www.selleckchem.com/products/Candesartan-cilexetil-Atacand.html

>  <CAS Number> (562)
145040-37-5

>  <Plate Location> (562)
b4

>  <Rack Number> (562)
L1700-08

$$$$
dextrose.cdx
csChFnd80/04011511122D

 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> (563)
563

>  <Formula> (563)
C6H12O6

>  <MolWeight> (563)
180.15588

>  <Item Name> (563)
Dextrose (D-glucose)

>  <Catalog Number> (563)
S2123

>  <Synonyms> (563)
D-glucose, Grape sugar 

>  <Target> (563)
Others

>  <Form> (563)
Free Base

>  <URL> (563)
http://www.selleckchem.com/products/Dextrose(D-glucose).html

>  <CAS Number> (563)
50-99-7

>  <Plate Location> (563)
h10

>  <Rack Number> (563)
L1700-08

$$$$
XYLO-PFAN (xylose).cdx
csChFnd80/04011511122D

 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> (564)
564

>  <Formula> (564)
C5H10O5

>  <MolWeight> (564)
150.1299

>  <Item Name> (564)
Xylose

>  <Catalog Number> (564)
S2124

>  <Synonyms> (564)
N/A

>  <Target> (564)
Others

>  <Form> (564)
Free Base

>  <URL> (564)
http://www.selleckchem.com/products/Xylose.html

>  <CAS Number> (564)
25990-60-7

>  <Plate Location> (564)
a11

>  <Rack Number> (564)
L1700-08

$$$$
mestranol.cdx
csChFnd80/04011511122D

 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> (565)
565

>  <Formula> (565)
C21H26O2

>  <MolWeight> (565)
310.42994

>  <Item Name> (565)
Mestranol

>  <Catalog Number> (565)
S2125

>  <Synonyms> (565)
N/A

>  <Target> (565)
NULL

>  <Form> (565)
Free Base

>  <URL> (565)
http://www.selleckchem.com/products/Mestranol.html

>  <CAS Number> (565)
72-33-3

>  <Plate Location> (565)
b11

>  <Rack Number> (565)
L1700-08

$$$$
Naftopidil.cdx
csChFnd80/04011511122D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.8000    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1951    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1806    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5757    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2757    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6757    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3757    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6757    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2757    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5781    4.8371    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
  2  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  3  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 27 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (566)
566

>  <Formula> (566)
C24H28N2O3

>  <MolWeight> (566)
392.49072

>  <Item Name> (566)
Naftopidil (Flivas)

>  <Catalog Number> (566)
S2126

>  <Synonyms> (566)
KT-611, BM-15275 

>  <Target> (566)
Adrenergic Receptor

>  <Form> (566)
Free Base

>  <URL> (566)
http://www.selleckchem.com/products/Naftopidil(Flivas).html

>  <CAS Number> (566)
57149-07-2

>  <Plate Location> (566)
c11

>  <Rack Number> (566)
L1700-08

$$$$
S-(+)-Rolipram.cdx
csChFnd80/04011511122D

 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
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    5.8663    1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4456    4.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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   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> (567)
567

>  <Formula> (567)
C16H21NO3

>  <MolWeight> (567)
275.34284

>  <Item Name> (567)
S-(+)-Rolipram

>  <Catalog Number> (567)
S2127

>  <Synonyms> (567)
N/A

>  <Target> (567)
PDE

>  <Form> (567)
Free Base

>  <URL> (567)
http://www.selleckchem.com/products/sRolipram.html

>  <CAS Number> (567)
85416-73-5

>  <Plate Location> (567)
d11

>  <Rack Number> (567)
L1700-08

$$$$
Atropine sulfate monohydrate.cdx
csChFnd80/04011511122D

 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
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    6.7764   11.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3265   13.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3265   11.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286   11.4272    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7864   12.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7698   11.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7680   13.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1058   12.5772    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4040   10.1331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3668   15.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1334   12.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    7.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7404    7.5393    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0668    6.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0713    8.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7520    6.3804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7565    8.7059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7175    8.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0962    4.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1151    7.5783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3265    7.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3265    5.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7698    5.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7680    7.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1058    6.3804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  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
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 10 13  1  0  0  0  0
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 26 11  1  6  0  0  0
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 41 32  1  0  0  0  0
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 49 34  1  6  0  0  0
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 42 51  1  1  0  0  0
 46 52  1  0  0  0  0
M  END
>  <Mol_ID> (568)
568

>  <Formula> (568)
C34H50N2O11S

>  <MolWeight> (568)
694.8326

>  <Item Name> (568)
Atropine 

>  <Catalog Number> (568)
S2130

>  <Synonyms> (568)
Tropine 

>  <Target> (568)
Others

>  <Form> (568)
Coordination Co

>  <URL> (568)
http://www.selleckchem.com/products/Atropine-sulfate-monohydrate.html

>  <CAS Number> (568)
5908-99-6

>  <Plate Location> (568)
f11

>  <Rack Number> (568)
L1700-08

$$$$
Roflumilast.cdx
csChFnd80/04011511122D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 20  1  0  0  0  0
M  END
>  <Mol_ID> (569)
569

>  <Formula> (569)
C17H14Cl2F2N2O3

>  <MolWeight> (569)
403.2074664

>  <Item Name> (569)
Roflumilast (Daxas)

>  <Catalog Number> (569)
S2131

>  <Synonyms> (569)
Daxas

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PDE

>  <Form> (569)
Free Base

>  <URL> (569)
http://www.selleckchem.com/products/Roflumilast(Daxas).html

>  <CAS Number> (569)
162401-32-3

>  <Plate Location> (569)
g11

>  <Rack Number> (569)
L1700-08

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csChFnd80/04011511122D

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>  <Formula> (570)
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>  <Target> (570)
VEGFR

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Free Base

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>  <CAS Number> (570)
417716-92-8

>  <Plate Location> (570)
h5

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L1700-02

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AZD8330.cdx
csChFnd80/04011511122D

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>  <Formula> (571)
C16H17FIN3O4

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AZD8330

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S2134

>  <Synonyms> (571)
N/A 

>  <Target> (571)
MEK

>  <Form> (571)
Free Base

>  <URL> (571)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

>  <CAS Number> (571)
869357-68-6

>  <Plate Location> (571)
h11

>  <Rack Number> (571)
L1700-08

$$$$
Biotin.cdx
csChFnd80/04011511122D

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572

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C10H16N2O3S

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Biotin (Vitamin B7)

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N/A

>  <Target> (572)
Others

>  <Form> (572)
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>  <URL> (572)
http://www.selleckchem.com/products/biotin-vitamin-b7.html

>  <CAS Number> (572)
58-85-5

>  <Plate Location> (572)
a9

>  <Rack Number> (572)
L1700-15

$$$$
Ethynodiol diacetate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (573)
573

>  <Formula> (573)
C24H32O4

>  <MolWeight> (573)
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>  <Item Name> (573)
Ethynodiol diacetate

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S3160

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>  <Target> (573)
Estrogen/progestogen Receptor

>  <Form> (573)
Free Base

>  <URL> (573)
http://www.selleckchem.com/products/ethynodiol-diacetate.html

>  <CAS Number> (573)
297-76-7

>  <Plate Location> (573)
h10

>  <Rack Number> (573)
L1700-15

$$$$
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csChFnd80/04011511122D

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M  END
>  <Mol_ID> (574)
574

>  <Formula> (574)
C17H22ClNO

>  <MolWeight> (574)
291.81568

>  <Item Name> (574)
Atomoxetine HCl

>  <Catalog Number> (574)
S3175

>  <Synonyms> (574)
N/A 

>  <Target> (574)
5-HT Receptor

>  <Form> (574)
HCl

>  <URL> (574)
http://www.selleckchem.com/products/atomoxetine-hydrochloride.html

>  <CAS Number> (574)
82248-59-7

>  <Plate Location> (574)
h11

>  <Rack Number> (574)
L1700-15

$$$$
BRL54443.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (575)
575

>  <Formula> (575)
C14H18N2O

>  <MolWeight> (575)
230.30552

>  <Item Name> (575)
BRL 54443

>  <Catalog Number> (575)
S2852

>  <Synonyms> (575)
N/A 

>  <Target> (575)
5-HT Receptor

>  <Form> (575)
Free Base

>  <URL> (575)
http://www.selleckchem.com/products/brl-54443.html

>  <CAS Number> (575)
57477-39-1

>  <Plate Location> (575)
d4

>  <Rack Number> (575)
L1700-14

$$$$
GSK 1292263.cdx
csChFnd80/04011511122D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (576)
576

>  <Formula> (576)
C23H28N4O4S

>  <MolWeight> (576)
456.55782

>  <Item Name> (576)
GSK1292263

>  <Catalog Number> (576)
S2149

>  <Synonyms> (576)
N/A

>  <Target> (576)
GPR 

>  <Form> (576)
Free Base

>  <URL> (576)
http://www.selleckchem.com/products/GSK1292263.html

>  <CAS Number> (576)
1032823-75-8

>  <Plate Location> (576)
a1

>  <Rack Number> (576)
L1700-09

$$$$
Methenamine.cdx
csChFnd80/04011511122D

 10 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.3623    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
M  END
>  <Mol_ID> (577)
577

>  <Formula> (577)
C6H12N4

>  <MolWeight> (577)
140.18628

>  <Item Name> (577)
Methenamine (Mandelamine)

>  <Catalog Number> (577)
S3139

>  <Synonyms> (577)
N/A 

>  <Target> (577)
Others

>  <Form> (577)
Free Base

>  <URL> (577)
http://www.selleckchem.com/products/methenamine-mandelamine.html

>  <CAS Number> (577)
100-97-0 

>  <Plate Location> (577)
f9

>  <Rack Number> (577)
L1700-15

$$$$
Moguisteine.cdx
csChFnd80/04011511122D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (578)
578

>  <Formula> (578)
C16H21NO5S

>  <MolWeight> (578)
339.40664

>  <Item Name> (578)
Moguisteine

>  <Catalog Number> (578)
S3104

>  <Synonyms> (578)
N/A 

>  <Target> (578)
Others

>  <Form> (578)
Free Base

>  <URL> (578)
http://www.selleckchem.com/products/moguisteine.html

>  <CAS Number> (578)
119637-67-1

>  <Plate Location> (578)
h7

>  <Rack Number> (578)
L1700-15

$$$$
Nadifloxacin.cdx
csChFnd80/04011511122D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (579)
579

>  <Formula> (579)
C19H21FN2O4

>  <MolWeight> (579)
360.3794432

>  <Item Name> (579)
Nadifloxacin

>  <Catalog Number> (579)
S3105

>  <Synonyms> (579)
Nadixa 

>  <Target> (579)
Others

>  <Form> (579)
Free Base

>  <URL> (579)
http://www.selleckchem.com/products/nadifloxacin.html

>  <CAS Number> (579)
124858-35-1

>  <Plate Location> (579)
a8

>  <Rack Number> (579)
L1700-15

$$$$
Amitriptyline hydrochloride.cdx
csChFnd80/04011511122D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (580)
580

>  <Formula> (580)
C20H24ClN

>  <MolWeight> (580)
313.86426

>  <Item Name> (580)
Amitriptyline HCl 

>  <Catalog Number> (580)
S3183

>  <Synonyms> (580)
N/A 

>  <Target> (580)
5-HT Receptor

>  <Form> (580)
HCl 

>  <URL> (580)
http://www.selleckchem.com/products/amitriptyline-hydrochloride.html

>  <CAS Number> (580)
549-18-8

>  <Plate Location> (580)
f1

>  <Rack Number> (580)
L1700-16

$$$$
LDE225.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (581)
581

>  <Formula> (581)
C26H26F3N3O3

>  <MolWeight> (581)
485.4981496

>  <Item Name> (581)
LDE225 (NVP-LDE225, Erismodegib)

>  <Catalog Number> (581)
S2151

>  <Synonyms> (581)
N/A 

>  <Target> (581)
Smoothened

>  <Form> (581)
Free Base

>  <URL> (581)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

>  <CAS Number> (581)
956697-53-3

>  <Plate Location> (581)
b1

>  <Rack Number> (581)
L1700-09

$$$$
Dabigatran etexilate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (582)
582

>  <Formula> (582)
C34H41N7O5

>  <MolWeight> (582)
627.73324

>  <Item Name> (582)
BIBR-1048 (Dabigatran)

>  <Catalog Number> (582)
S2154

>  <Synonyms> (582)
N/A 

>  <Target> (582)
Others

>  <Form> (582)
Free Base

>  <URL> (582)
http://www.selleckchem.com/products/BIBR-1048(Dabigatran-etexilate).html

>  <CAS Number> (582)
211915-06-9

>  <Plate Location> (582)
d1

>  <Rack Number> (582)
L1700-09

$$$$
KW2449.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (583)
583

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N/A

>  <Target> (583)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (583)
Free Base

>  <URL> (583)
http://www.selleckchem.com/products/KW-2449.html

>  <CAS Number> (583)
1000669-72-6

>  <Plate Location> (583)
g1

>  <Rack Number> (583)
L1700-09

$$$$
Tebipenem pivoxil.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (584)
584

>  <Formula> (584)
C22H31N3O6S2

>  <MolWeight> (584)
497.62804

>  <Item Name> (584)
Tebipenem pivoxil (L-084)

>  <Catalog Number> (584)
S2159

>  <Synonyms> (584)
L-084, TBPM-PI, ME1211 

>  <Target> (584)
Others

>  <Form> (584)
Free Base

>  <URL> (584)
http://www.selleckchem.com/products/Tebipenem-pivoxil(L-084).html

>  <CAS Number> (584)
161715-24-8

>  <Plate Location> (584)
h1

>  <Rack Number> (584)
L1700-09

$$$$
raf265.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (585)
585

>  <Formula> (585)
C24H16F6N6O

>  <MolWeight> (585)
518.4138592

>  <Item Name> (585)
RAF265 (CHIR-265)

>  <Catalog Number> (585)
S2161

>  <Synonyms> (585)
N/A 

>  <Target> (585)
Raf, VEGFR

>  <Form> (585)
Free Base

>  <URL> (585)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

>  <CAS Number> (585)
927880-90-8

>  <Plate Location> (585)
b2

>  <Rack Number> (585)
L1700-09

$$$$

csChFnd80/04011511122D

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>  <Mol_ID> (586)
586

>  <Formula> (586)
C24H30ClN3O5

>  <MolWeight> (586)
475.9651

>  <Item Name> (586)
ITF2357 (Givinostat)

>  <Catalog Number> (586)
S2170

>  <Synonyms> (586)
N/A 

>  <Target> (586)
HDAC 

>  <Form> (586)
Chloride

>  <URL> (586)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (586)
732302-99-7

>  <Plate Location> (586)
g2

>  <Rack Number> (586)
L1700-09

$$$$
Daphnetin.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (587)
587

>  <Formula> (587)
C9H6O4

>  <MolWeight> (587)
178.14154

>  <Item Name> (587)
Daphnetin

>  <Catalog Number> (587)
S2554 

>  <Synonyms> (587)
N/A 

>  <Target> (587)
DNA/RNA Synthesis

>  <Form> (587)
Free Base

>  <URL> (587)
http://www.selleckchem.com/products/Daphnetin.html

>  <CAS Number> (587)
486-35-1

>  <Plate Location> (587)
g2

>  <Rack Number> (587)
L1700-12

$$$$
AG14361.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (588)
588

>  <Formula> (588)
C19H20N4O

>  <MolWeight> (588)
320.3883

>  <Item Name> (588)
AG14361

>  <Catalog Number> (588)
S2178

>  <Synonyms> (588)
N/A

>  <Target> (588)
PARP

>  <Form> (588)
Free Base

>  <URL> (588)
http://www.selleckchem.com/products/AG14361.html

>  <CAS Number> (588)
328543-09-5

>  <Plate Location> (588)
b3

>  <Rack Number> (588)
L1700-09

$$$$
LY2784544.cdx
csChFnd80/04011511122D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (589)
589

>  <Formula> (589)
C23H25ClFN7O

>  <MolWeight> (589)
469.9423032

>  <Item Name> (589)
LY2784544

>  <Catalog Number> (589)
S2179

>  <Synonyms> (589)
N/A

>  <Target> (589)
JAK 

>  <Form> (589)
Free Base

>  <URL> (589)
http://www.selleckchem.com/products/LY2784544.html

>  <CAS Number> (589)
1229236-86-5

>  <Plate Location> (589)
c3

>  <Rack Number> (589)
L1700-09

$$$$
MLN2238.cdx
csChFnd80/04011511122D

 23 23  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
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   10.9204    0.0073    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
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 13 14  1  0  0  0  0
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 14 20  1  6  0  0  0
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 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (590)
590

>  <Formula> (590)
C14H19BCl2N2O4

>  <MolWeight> (590)
361.02866

>  <Item Name> (590)
Ixazomib (MLN2238)

>  <Catalog Number> (590)
S2180

>  <Synonyms> (590)
N/A

>  <Target> (590)
Proteasome 

>  <Form> (590)
Free Base

>  <URL> (590)
http://www.selleckchem.com/products/MLN-2238.html

>  <CAS Number> (590)
1072833-77-2

>  <Plate Location> (590)
d3

>  <Rack Number> (590)
L1700-09

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/04011511122D

 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
    4.0577    5.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6972    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17  9  1  0  0  0  0
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 21 13  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (591)
591

>  <Formula> (591)
C19H19ClN2

>  <MolWeight> (591)
310.82056

>  <Item Name> (591)
Desloratadine 

>  <Catalog Number> (591)
S4012

>  <Synonyms> (591)
N/A

>  <Target> (591)
Histamine Receptor

>  <Form> (591)
Free Base

>  <URL> (591)
http://www.selleckchem.com/products/desloratadine.html

>  <CAS Number> (591)
100643-71-8

>  <Plate Location> (591)
d5

>  <Rack Number> (591)
L1700-16

$$$$
Ornidazole.cdx
csChFnd80/04011511122D

 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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    5.9700    0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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 10 11  1  0  0  0  0
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  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (592)
592

>  <Formula> (592)
C7H10ClN3O3

>  <MolWeight> (592)
219.6256

>  <Item Name> (592)
Ornidazole

>  <Catalog Number> (592)
S3121

>  <Synonyms> (592)
N/A 

>  <Target> (592)
Others

>  <Form> (592)
Free Base

>  <URL> (592)
http://www.selleckchem.com/products/ornidazole.html

>  <CAS Number> (592)
16773-42-5

>  <Plate Location> (592)
g8

>  <Rack Number> (592)
L1700-15

$$$$
Oxybutynin chloride.cdx
csChFnd80/04011511122D

 27 27  0  0  0  0  0  0  0  0999 V2000
    2.4291    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (593)
593

>  <Formula> (593)
C22H32ClNO3

>  <MolWeight> (593)
393.94738

>  <Item Name> (593)
Oxybutynin chloride

>  <Catalog Number> (593)
S3117

>  <Synonyms> (593)
N/A 

>  <Target> (593)
AChR

>  <Form> (593)
Chloride

>  <URL> (593)
http://www.selleckchem.com/products/oxybutynin-chloride.html

>  <CAS Number> (593)
1508-65-2

>  <Plate Location> (593)
f8

>  <Rack Number> (593)
L1700-15

$$$$
MLN9708.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (594)
594

>  <Formula> (594)
C20H23BCl2N2O9

>  <MolWeight> (594)
517.12162

>  <Item Name> (594)
MLN9708

>  <Catalog Number> (594)
S2181

>  <Synonyms> (594)
N/A

>  <Target> (594)
Proteasome

>  <Form> (594)
Free Base

>  <URL> (594)
http://www.selleckchem.com/products/MLN9708.html

>  <CAS Number> (594)
1201902-80-8

>  <Plate Location> (594)
e3

>  <Rack Number> (594)
L1700-09

$$$$
SB743921.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (595)
595

>  <Formula> (595)
C31H34Cl2N2O3

>  <MolWeight> (595)
553.51926

>  <Item Name> (595)
SB 743921

>  <Catalog Number> (595)
S2182 

>  <Synonyms> (595)
N/A

>  <Target> (595)
Kinesin

>  <Form> (595)
Hydrochloride

>  <URL> (595)
http://www.selleckchem.com/products/SB-743921.html

>  <CAS Number> (595)
940929-33-9

>  <Plate Location> (595)
f3

>  <Rack Number> (595)
L1700-09

$$$$
ivermectin.cdx
csChFnd80/04011511122D

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70288-86-7

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d10

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L1700-03

$$$$
AVC (sulfanilamide).cdx
csChFnd80/04011511122D

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597

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Free Base

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63-74-1

>  <Plate Location> (597)
e3

>  <Rack Number> (597)
L1700-06

$$$$
Avasimibe.cdx
csChFnd80/04011511122D

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CI-1011

>  <Target> (598)
P450

>  <Form> (598)
Free Base

>  <URL> (598)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

>  <CAS Number> (598)
166518-60-1 

>  <Plate Location> (598)
a4

>  <Rack Number> (598)
L1700-09

$$$$
AZD8931.cdx
csChFnd80/04011511122D

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599

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C23H25ClFN5O3

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EGFR, HER2

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>  <Plate Location> (599)
b4

>  <Rack Number> (599)
L1700-09

$$$$
GSK 461364.cdx
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841290-81-1

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d4

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L1700-09

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L1700-09

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SGI-1776 free base

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>  <Target> (603)
Pim

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Free Base

>  <URL> (603)
http://www.selleckchem.com/products/SGI-1776.html

>  <CAS Number> (603)
1025065-69-3

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f4

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L1700-09

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604

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BMS794833

>  <Target> (604)
c-Met, VEGFR

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Free Base

>  <URL> (604)
http://www.selleckchem.com/products/BMS-794833.html

>  <CAS Number> (604)
1174046-72-0

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h4

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L1700-09

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605

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>  <Item Name> (605)
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S2202

>  <Synonyms> (605)
N/A

>  <Target> (605)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (605)
Free Base

>  <URL> (605)
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>  <CAS Number> (605)
940310-85-0

>  <Plate Location> (605)
a5

>  <Rack Number> (605)
L1700-09

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OSI 420.cdx
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>  <Formula> (606)
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>  <MolWeight> (606)
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>  <Item Name> (606)
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CP-473420 

>  <Target> (606)
EGFR

>  <Form> (606)
Hydrochloride

>  <URL> (606)
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>  <CAS Number> (606)
183320-51-6

>  <Plate Location> (606)
b5

>  <Rack Number> (606)
L1700-09

$$$$
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JAK

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905586-69-8

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M  END
>  <Mol_ID> (611)
611

>  <Formula> (611)
C25H23F3N4O2

>  <MolWeight> (611)
468.4709296

>  <Item Name> (611)
Mubritinib (TAK 165)

>  <Catalog Number> (611)
S2216

>  <Synonyms> (611)
TAK 165, TAK165

>  <Target> (611)
HER2

>  <Form> (611)
Free Base

>  <URL> (611)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

>  <CAS Number> (611)
366017-09-6

>  <Plate Location> (611)
g5

>  <Rack Number> (611)
L1700-09

$$$$
irinotecan.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (612)
612

>  <Formula> (612)
C33H45ClN4O9

>  <MolWeight> (612)
677.1848

>  <Item Name> (612)
Irinotecan HCl Trihydrate (Campto)

>  <Catalog Number> (612)
S2217 

>  <Synonyms> (612)
CPT 11, Camptosar, Campto, Irinotecan 

>  <Target> (612)
Topoisomerase

>  <Form> (612)
Hydrate

>  <URL> (612)
http://www.selleckchem.com/products/Irinotecan-Hcl-Trihydrate-Campto.html

>  <CAS Number> (612)
136572-09-3

>  <Plate Location> (612)
h5

>  <Rack Number> (612)
L1700-09

$$$$
PP442.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (613)
613

>  <Formula> (613)
C16H16N6O

>  <MolWeight> (613)
308.33784

>  <Item Name> (613)
Torkinib (PP242)

>  <Catalog Number> (613)
S2218

>  <Synonyms> (613)
TORKinib 

>  <Target> (613)
mTOR

>  <Form> (613)
Free Base

>  <URL> (613)
http://www.selleckchem.com/products/PP242.html

>  <CAS Number> (613)
1092351-67-1

>  <Plate Location> (613)
a6

>  <Rack Number> (613)
L1700-09

$$$$
CYT 387.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (614)
614

>  <Formula> (614)
C23H22N6O2

>  <MolWeight> (614)
414.45978

>  <Item Name> (614)
Momelotinib (CYT387)

>  <Catalog Number> (614)
S2219

>  <Synonyms> (614)
CYT 11387 

>  <Target> (614)
JAK 

>  <Form> (614)
Free Base

>  <URL> (614)
http://www.selleckchem.com/products/Cyt387.html

>  <CAS Number> (614)
1056634-68-4

>  <Plate Location> (614)
b6

>  <Rack Number> (614)
L1700-09

$$$$
SB 590885.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (615)
615

>  <Formula> (615)
C27H27N5O2

>  <MolWeight> (615)
453.53558

>  <Item Name> (615)
SB590885

>  <Catalog Number> (615)
S2220

>  <Synonyms> (615)
GSK2118436 

>  <Target> (615)
Raf

>  <Form> (615)
Free Base

>  <URL> (615)
http://www.selleckchem.com/products/SB590885.html

>  <CAS Number> (615)
405554-55-4 

>  <Plate Location> (615)
c6

>  <Rack Number> (615)
L1700-09

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (616)
616

>  <Formula> (616)
C22H18O11

>  <MolWeight> (616)
458.37172

>  <Item Name> (616)
(-)-Epigallocatechin gallate

>  <Catalog Number> (616)
S2250

>  <Synonyms> (616)
EGCG

>  <Target> (616)
Others

>  <Form> (616)
Free Base

>  <URL> (616)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

>  <CAS Number> (616)
989-51-5

>  <Plate Location> (616)
g8

>  <Rack Number> (616)
L1700-09

$$$$
(+)-Usniacin.cdx
csChFnd80/04011511122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (617)
617

>  <Formula> (617)
C18H16O7

>  <MolWeight> (617)
344.31544

>  <Item Name> (617)
(+)-Usniacin (D-Usnic acid)

>  <Catalog Number> (617)
S2252

>  <Synonyms> (617)
D-Usnic acid

>  <Target> (617)
Others

>  <Form> (617)
Free Base

>  <URL> (617)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

>  <CAS Number> (617)
7562-61-0

>  <Plate Location> (617)
h8

>  <Rack Number> (617)
L1700-09

$$$$
3-Indolebutyric acid.cdx
csChFnd80/04011511122D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (618)
618

>  <Formula> (618)
C12H13NO2

>  <MolWeight> (618)
203.23712

>  <Item Name> (618)
3-Indolebutyric acid (IBA)

>  <Catalog Number> (618)
S2253

>  <Synonyms> (618)
IBA

>  <Target> (618)
Others

>  <Form> (618)
Free Base

>  <URL> (618)
http://www.selleckchem.com/products/3-Indolebutyric-acid(IBA).html

>  <CAS Number> (618)
133-32-4

>  <Plate Location> (618)
a9

>  <Rack Number> (618)
L1700-09

$$$$
4-Methylumbelliferone.cdx
csChFnd80/04011511122D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (619)
619

>  <Formula> (619)
C10H8O3

>  <MolWeight> (619)
176.16872

>  <Item Name> (619)
4-Methylumbelliferone (4-MU)

>  <Catalog Number> (619)
S2256

>  <Synonyms> (619)
4-MU

>  <Target> (619)
Others

>  <Form> (619)
Free Base

>  <URL> (619)
http://www.selleckchem.com/products/4-Methylumbelliferone(4-MU).html

>  <CAS Number> (619)
90-33-5

>  <Plate Location> (619)
b9

>  <Rack Number> (619)
L1700-09

$$$$
AESCULIN.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (620)
620

>  <Formula> (620)
C15H16O9

>  <MolWeight> (620)
340.28214

>  <Item Name> (620)
Aesculin (Esculin)

>  <Catalog Number> (620)
S2258

>  <Synonyms> (620)
Esculin

>  <Target> (620)
Others

>  <Form> (620)
Free Base

>  <URL> (620)
http://www.selleckchem.com/products/Aesculin(Esculin).html

>  <CAS Number> (620)
531-75-9

>  <Plate Location> (620)
c9

>  <Rack Number> (620)
L1700-09

$$$$
Andrographolide.cdx
csChFnd80/04011511122D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (621)
621

>  <Formula> (621)
C20H30O5

>  <MolWeight> (621)
350.4492

>  <Item Name> (621)
Andrographolide

>  <Catalog Number> (621)
S2261

>  <Synonyms> (621)
N/A

>  <Target> (621)
Others

>  <Form> (621)
Free Base

>  <URL> (621)
http://www.selleckchem.com/products/Andrographolide.html

>  <CAS Number> (621)
5508-58-7

>  <Plate Location> (621)
f9

>  <Rack Number> (621)
L1700-09

$$$$
Apigenin.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (622)
622

>  <Formula> (622)
C15H10O5

>  <MolWeight> (622)
270.2369

>  <Item Name> (622)
Apigenin

>  <Catalog Number> (622)
S2262

>  <Synonyms> (622)
N/A

>  <Target> (622)
P450

>  <Form> (622)
Free Base

>  <URL> (622)
http://www.selleckchem.com/products/Apigenin.html

>  <CAS Number> (622)
520-36-5

>  <Plate Location> (622)
g9

>  <Rack Number> (622)
L1700-09

$$$$
Arbutin.cdx
csChFnd80/04011511122D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (623)
623

>  <Formula> (623)
C12H16O7

>  <MolWeight> (623)
272.25124

>  <Item Name> (623)
Arbutin (Uva, p-Arbutin)

>  <Catalog Number> (623)
S2263

>  <Synonyms> (623)
Uva, Ursi, p-Arbutin, Hydroquinone ¦Â-D-glucopyranoside 

>  <Target> (623)
Others

>  <Form> (623)
Free Base

>  <URL> (623)
http://www.selleckchem.com/products/Arbutin(Uva,-p-Arbutin).html

>  <CAS Number> (623)
497-76-7

>  <Plate Location> (623)
h9

>  <Rack Number> (623)
L1700-09

$$$$
Ipriflavone.cdx
csChFnd80/04011511122D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (624)
624

>  <Formula> (624)
C18H16O3

>  <MolWeight> (624)
280.31784

>  <Item Name> (624)
Ipriflavone

>  <Catalog Number> (624)
S2422 

>  <Synonyms> (624)
N/A 

>  <Target> (624)
Others

>  <Form> (624)
Free Base

>  <URL> (624)
http://www.selleckchem.com/products/ipriflavone.html

>  <CAS Number> (624)
35212-22-7

>  <Plate Location> (624)
h2

>  <Rack Number> (624)
L1700-11

$$$$
Asiatic acid.cdx
csChFnd80/04011511122D

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AChR 

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  1  9  1  0  0  0  0
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 23 15  1  0  0  0  0
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 27 25  1  6  0  0  0
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 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (630)
630

>  <Formula> (630)
C24H33ClN4O6

>  <MolWeight> (630)
508.99502

>  <Item Name> (630)
Belnacasan (VX-765)

>  <Catalog Number> (630)
S2228

>  <Synonyms> (630)
N/A

>  <Target> (630)
Caspase

>  <Form> (630)
Free Base

>  <URL> (630)
http://www.selleckchem.com/products/VX-765.html

>  <CAS Number> (630)
273404-37-8

>  <Plate Location> (630)
a7

>  <Rack Number> (630)
L1700-09

$$$$
Bengenin.cdx
csChFnd80/04011511122D

 25 27  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
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    4.8455    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  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
  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 10  1  0  0  0  0
  2 15  1  6  0  0  0
  5 16  1  6  0  0  0
  1 17  1  1  0  0  0
  3 18  1  1  0  0  0
  4 19  1  1  0  0  0
 17 20  1  0  0  0  0
  8 21  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
>  <Mol_ID> (631)
631

>  <Formula> (631)
C14H16O9

>  <MolWeight> (631)
328.27144

>  <Item Name> (631)
Bergenin (Cuscutin)

>  <Catalog Number> (631)
S2270

>  <Synonyms> (631)
Cuscutin

>  <Target> (631)
Others

>  <Form> (631)
Free Base

>  <URL> (631)
http://www.selleckchem.com/products/Bergenin-(Cuscutin).html

>  <CAS Number> (631)
477-90-7

>  <Plate Location> (631)
g10

>  <Rack Number> (631)
L1700-09

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/04011511122D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
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 21 17  1  0  0  0  0
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  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (632)
632

>  <Formula> (632)
C20H18ClNO4

>  <MolWeight> (632)
371.81422

>  <Item Name> (632)
Berberine Hydrochloride

>  <Catalog Number> (632)
S2271

>  <Synonyms> (632)
N/A

>  <Target> (632)
Others

>  <Form> (632)
Hydrochloride

>  <URL> (632)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

>  <CAS Number> (632)
633-65-8

>  <Plate Location> (632)
h10

>  <Rack Number> (632)
L1700-09

$$$$
Bilobalide.cdx
csChFnd80/04011511122D

 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
    3.5921    3.4147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.4247    4.7462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1595    2.0832    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2921    1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
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  8  4  1  0  0  0  0
  4  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 15  2  0  0  0  0
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  8 24  1  1  0  0  0
  6 25  1  1  0  0  0
M  END
>  <Mol_ID> (633)
633

>  <Formula> (633)
C15H18O8

>  <MolWeight> (633)
326.29862

>  <Item Name> (633)
Bilobalide

>  <Catalog Number> (633)
S2276

>  <Synonyms> (633)
N/A

>  <Target> (633)
Others

>  <Form> (633)
Free Base

>  <URL> (633)
http://www.selleckchem.com/products/Bilobalide.html

>  <CAS Number> (633)
33570-04-6

>  <Plate Location> (633)
a11

>  <Rack Number> (633)
L1700-09

$$$$
Caffeic acid.cdx
csChFnd80/04011511122D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5073    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
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8582    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  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> (634)
634

>  <Formula> (634)
C9H8O4

>  <MolWeight> (634)
180.15742

>  <Item Name> (634)
Caffeic acid

>  <Catalog Number> (634)
S2277

>  <Synonyms> (634)
N/A

>  <Target> (634)
Others

>  <Form> (634)
Free Base

>  <URL> (634)
http://www.selleckchem.com/products/Caffeic-acid.html

>  <CAS Number> (634)
331-39-5

>  <Plate Location> (634)
b11

>  <Rack Number> (634)
L1700-09

$$$$
Chlorogenic acid.cdx
csChFnd80/04011511122D

 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
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    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
    7.2578    3.4951    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
    9.6742    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    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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  2  7  1  6  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (635)
635

>  <Formula> (635)
C16H18O9

>  <MolWeight> (635)
354.30872

>  <Item Name> (635)
Chlorogenic acid

>  <Catalog Number> (635)
S2280

>  <Synonyms> (635)
N/A

>  <Target> (635)
Others

>  <Form> (635)
Free Base

>  <URL> (635)
http://www.selleckchem.com/products/Chlorogenic-acid.html

>  <CAS Number> (635)
327-97-9

>  <Plate Location> (635)
c11

>  <Rack Number> (635)
L1700-09

$$$$
Chrysin.cdx
csChFnd80/04011511122D

 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
    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
    1.2082    3.4951    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
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    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
    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (636)
636

>  <Formula> (636)
C15H10O4

>  <MolWeight> (636)
254.2375

>  <Item Name> (636)
Chrysin

>  <Catalog Number> (636)
S2281

>  <Synonyms> (636)
N/A

>  <Target> (636)
Others

>  <Form> (636)
Free Base

>  <URL> (636)
http://www.selleckchem.com/products/Chrysin.html

>  <CAS Number> (636)
480-40-0

>  <Plate Location> (636)
d11

>  <Rack Number> (636)
L1700-09

$$$$
Cinchonidine.cdx
csChFnd80/04011511122D

 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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  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
 12 15  1  0  0  0  0
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 17 16  1  0  0  0  0
 13 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 11 22  1  1  0  0  0
 12 23  1  1  0  0  0
 19 24  1  1  0  0  0
M  END
>  <Mol_ID> (637)
637

>  <Formula> (637)
C19H22N2O

>  <MolWeight> (637)
294.39078

>  <Item Name> (637)
Cinchonidine

>  <Catalog Number> (637)
S2282

>  <Synonyms> (637)
N/A

>  <Target> (637)
Others

>  <Form> (637)
Free Base

>  <URL> (637)
http://www.selleckchem.com/products/Cinchonidine.html

>  <CAS Number> (637)
485-71-2

>  <Plate Location> (637)
e11

>  <Rack Number> (637)
L1700-09

$$$$
Cryptotanshinone.cdx
csChFnd80/04011511122D

 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
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    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
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  1  2  1  0  0  0  0
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  4  7  2  0  0  0  0
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 10  5  2  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
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 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (638)
638

>  <Formula> (638)
C19H20O3

>  <MolWeight> (638)
296.3603

>  <Item Name> (638)
Cryptotanshinone

>  <Catalog Number> (638)
S2285 

>  <Synonyms> (638)
N/A

>  <Target> (638)
STAT

>  <Form> (638)
Free Base

>  <URL> (638)
http://www.selleckchem.com/products/Cryptotanshinone.html

>  <CAS Number> (638)
35825-57-1

>  <Plate Location> (638)
f11

>  <Rack Number> (638)
L1700-09

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/04011511122D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.9024    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4955    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1412    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4913    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
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 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 12  1  0  0  0  0
  2 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
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 23 27  2  0  0  0  0
 13 28  1  0  0  0  0
M  END
>  <Mol_ID> (639)
639

>  <Formula> (639)
C20H25ClN2O5

>  <MolWeight> (639)
408.8759

>  <Item Name> (639)
Amlodipine (Norvasc)

>  <Catalog Number> (639)
S1905

>  <Synonyms> (639)
Istin, Norvasc, Caduet

>  <Target> (639)
Calcium Channel

>  <Form> (639)
Free Base

>  <URL> (639)
http://www.selleckchem.com/products/Amlodipine(Norvasc).html

>  <CAS Number> (639)
88150-42-9

>  <Plate Location> (639)
a7

>  <Rack Number> (639)
L1700-07

$$$$
Cyclosporin A.cdx
csChFnd80/04011511122D

 85 85  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3663    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    8.4171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2873    2.8049    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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  6 35  1  1  0  0  0
  1 36  1  0  0  0  0
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M  END
>  <Mol_ID> (640)
640

>  <Formula> (640)
C62H111N11O12

>  <MolWeight> (640)
1202.61124

>  <Item Name> (640)
Cyclosporin A (Cyclosporine A)

>  <Catalog Number> (640)
S2286

>  <Synonyms> (640)
Cyclosporine A 

>  <Target> (640)
Others

>  <Form> (640)
Free Base

>  <URL> (640)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

>  <CAS Number> (640)
59865-13-3

>  <Plate Location> (640)
g11

>  <Rack Number> (640)
L1700-09

$$$$
Cytisine.cdx
csChFnd80/04011511122D

 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
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    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
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 10 11  1  0  0  0  0
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 12  2  1  0  0  0  0
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 11 14  1  1  0  0  0
M  END
>  <Mol_ID> (641)
641

>  <Formula> (641)
C11H14N2O

>  <MolWeight> (641)
190.24166

>  <Item Name> (641)
Cytisine (Baphitoxine, Sophorine)

>  <Catalog Number> (641)
S2287

>  <Synonyms> (641)
Baphitoxine, Sophorine 

>  <Target> (641)
Others

>  <Form> (641)
Free Base

>  <URL> (641)
http://www.selleckchem.com/products/Cytisine(Baphitoxine,-Sophorine).html

>  <CAS Number> (641)
485-35-8 

>  <Plate Location> (641)
h11

>  <Rack Number> (641)
L1700-09

$$$$
dihydroartemisinin.cdx
csChFnd80/04011511122D

 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
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  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10  4  1  0  0  0  0
 10 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  5  1  0  0  0  0
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  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> (642)
642

>  <Formula> (642)
C15H24O5

>  <MolWeight> (642)
284.34806

>  <Item Name> (642)
Dihydroartemisinin (DHA)

>  <Catalog Number> (642)
S2290

>  <Synonyms> (642)
N/A 

>  <Target> (642)
Others

>  <Form> (642)
Free Base

>  <URL> (642)
http://www.selleckchem.com/products/Dihydroartemisinin(DHA).html

>  <CAS Number> (642)
71939-50-9

>  <Plate Location> (642)
a1

>  <Rack Number> (642)
L1700-10

$$$$
Diosmin.cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (643)
643

>  <Formula> (643)
C28H32O15

>  <MolWeight> (643)
608.54468

>  <Item Name> (643)
Diosmin

>  <Catalog Number> (643)
S2292

>  <Synonyms> (643)
N/A

>  <Target> (643)
Others

>  <Form> (643)
Free Base

>  <URL> (643)
http://www.selleckchem.com/products/Diosmin.html

>  <CAS Number> (643)
520-27-4

>  <Plate Location> (643)
b1

>  <Rack Number> (643)
L1700-10

$$$$
Amygdalin.cdx
csChFnd80/04011511122D

 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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M  END
>  <Mol_ID> (644)
644

>  <Formula> (644)
C20H27NO11

>  <MolWeight> (644)
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>  <Item Name> (644)
Laetrile

>  <Catalog Number> (644)
S2260

>  <Synonyms> (644)
N/A

>  <Target> (644)
Others

>  <Form> (644)
Free Base

>  <URL> (644)
http://www.selleckchem.com/products/Amygdalin.html

>  <CAS Number> (644)
29883-15-6

>  <Plate Location> (644)
e9

>  <Rack Number> (644)
L1700-09

$$$$
Azithromycin.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (645)
645

>  <Formula> (645)
C38H72N2O12

>  <MolWeight> (645)
748.98448

>  <Item Name> (645)
Azithromycin

>  <Catalog Number> (645)
S1835

>  <Synonyms> (645)
CP-62993, XZ-450

>  <Target> (645)
autophagy

>  <Form> (645)
Free Base

>  <URL> (645)
http://www.selleckchem.com/products/azithromycin-zithromax.h

>  <CAS Number> (645)
83905-01-5

>  <Plate Location> (645)
e2

>  <Rack Number> (645)
L1700-07

$$$$
DL-Carnitine hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (646)
646

>  <Formula> (646)
C7H16ClNO3

>  <MolWeight> (646)
197.65984

>  <Item Name> (646)
DL-Carnitine hydrochloride

>  <Catalog Number> (646)
S2293

>  <Synonyms> (646)
N/A

>  <Target> (646)
Others

>  <Form> (646)
Hydrochloride

>  <URL> (646)
http://www.selleckchem.com/products/DL-Carnitine-hydrochloride.html

>  <CAS Number> (646)
461-05-2

>  <Plate Location> (646)
c1

>  <Rack Number> (646)
L1700-10

$$$$
Emodin.cdx
csChFnd80/04011511122D

 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
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    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
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  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
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 14  5  1  0  0  0  0
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  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> (647)
647

>  <Formula> (647)
C15H10O5

>  <MolWeight> (647)
270.2369

>  <Item Name> (647)
Emodin

>  <Catalog Number> (647)
S2295

>  <Synonyms> (647)
N/A

>  <Target> (647)
Others

>  <Form> (647)
Free Base

>  <URL> (647)
http://www.selleckchem.com/products/Emodin.html

>  <CAS Number> (647)
518-82-1

>  <Plate Location> (647)
d1

>  <Rack Number> (647)
L1700-10

$$$$
Enoxolone.cdx
csChFnd80/04011511122D

 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
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 14 10  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
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 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
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 21 35  1  1  0  0  0
 14 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  2  0  0  0  0
M  END
>  <Mol_ID> (648)
648

>  <Formula> (648)
C30H46O4

>  <MolWeight> (648)
470.68384

>  <Item Name> (648)
Enoxolone (Glycyrrhetin)

>  <Catalog Number> (648)
S2296

>  <Synonyms> (648)
Glycyrrhetin, Uralenic acid 

>  <Target> (648)
Others

>  <Form> (648)
Free Base

>  <URL> (648)
http://www.selleckchem.com/products/Enoxolone(Glycyrrhetin).html

>  <CAS Number> (648)
471-53-4

>  <Plate Location> (648)
e1

>  <Rack Number> (648)
L1700-10

$$$$
Fisetin.cdx
csChFnd80/04011511122D

 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
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    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
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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
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (649)
649

>  <Formula> (649)
C15H10O6

>  <MolWeight> (649)
286.2363

>  <Item Name> (649)
Fisetin (Fustel)

>  <Catalog Number> (649)
S2298

>  <Synonyms> (649)
Fustel, Viset

>  <Target> (649)
Others

>  <Form> (649)
Free Base

>  <URL> (649)
http://www.selleckchem.com/products/Fisetin(Fustel).html

>  <CAS Number> (649)
528-48-3

>  <Plate Location> (649)
f1

>  <Rack Number> (649)
L1700-10

$$$$
Formononetin.cdx
csChFnd80/04011511122D

 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
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    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
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    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  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
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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
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (650)
650

>  <Formula> (650)
C16H12O4

>  <MolWeight> (650)
268.26408

>  <Item Name> (650)
Formononetin (Formononetol)

>  <Catalog Number> (650)
S2299

>  <Synonyms> (650)
Biochanin B, Formononetol 

>  <Target> (650)
Others

>  <Form> (650)
Free Base

>  <URL> (650)
http://www.selleckchem.com/products/Formononetin(Formononetol).html

>  <CAS Number> (650)
485-72-3

>  <Plate Location> (650)
g1

>  <Rack Number> (650)
L1700-10

$$$$
Fumalic acid.cdx
csChFnd80/04011511122D

 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> (651)
651

>  <Formula> (651)
C10H10O4

>  <MolWeight> (651)
194.184

>  <Item Name> (651)
Fumalic acid (Ferulic acid)

>  <Catalog Number> (651)
S2300

>  <Synonyms> (651)
Ferulic acid

>  <Target> (651)
Others

>  <Form> (651)
Free Base

>  <URL> (651)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

>  <CAS Number> (651)
1135-24-6

>  <Plate Location> (651)
h1

>  <Rack Number> (651)
L1700-10

$$$$
Glycyrrhizic acid.cdx
csChFnd80/04011511122D

 61 67  0  0  0  0  0  0  0  0999 V2000
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    9.6869    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (652)
652

>  <Formula> (652)
C42H62O16

>  <MolWeight> (652)
822.93208

>  <Item Name> (652)
Glycyrrhizic acid

>  <Catalog Number> (652)
S2302

>  <Synonyms> (652)
N/A

>  <Target> (652)
Others

>  <Form> (652)
Free Base

>  <URL> (652)
http://www.selleckchem.com/products/Glycyrrhizic-acid.html

>  <CAS Number> (652)
1405-86-3

>  <Plate Location> (652)
a2

>  <Rack Number> (652)
L1700-10

$$$$
Gossypol.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (653)
653

>  <Formula> (653)
C30H30O8

>  <MolWeight> (653)
518.5544

>  <Item Name> (653)
Gossypol

>  <Catalog Number> (653)
S2303

>  <Synonyms> (653)
N/A

>  <Target> (653)
5-alpha Reductase

>  <Form> (653)
Free Base

>  <URL> (653)
http://www.selleckchem.com/products/Gossypol.html

>  <CAS Number> (653)
303-45-7

>  <Plate Location> (653)
b2

>  <Rack Number> (653)
L1700-10

$$$$
Gramine.cdx
csChFnd80/04011511122D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (654)
654

>  <Formula> (654)
C11H14N2

>  <MolWeight> (654)
174.24226

>  <Item Name> (654)
Gramine

>  <Catalog Number> (654)
S2304

>  <Synonyms> (654)
N/A

>  <Target> (654)
Others

>  <Form> (654)
Free Base

>  <URL> (654)
http://www.selleckchem.com/products/Gramine.html

>  <CAS Number> (654)
87-52-5

>  <Plate Location> (654)
c2

>  <Rack Number> (654)
L1700-10

$$$$

csChFnd80/04011511122D

 67 73  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (655)
655

>  <Formula> (655)
C47H80O17

>  <MolWeight> (655)
917.1279

>  <Item Name> (655)
Gynostemma Extract

>  <Catalog Number> (655)
S2306

>  <Synonyms> (655)
N/A

>  <Target> (655)
Others

>  <Form> (655)
Free Base

>  <URL> (655)
http://www.selleckchem.com/products/Gynostemma-Extract.html

>  <CAS Number> (655)
80321-63-7 

>  <Plate Location> (655)
d2

>  <Rack Number> (655)
L1700-10

$$$$
Rotundine.cdx
csChFnd80/04011511122D

 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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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (656)
656

>  <Formula> (656)
C21H25NO4

>  <MolWeight> (656)
355.4275

>  <Item Name> (656)
Rotundine

>  <Catalog Number> (656)
S2437

>  <Synonyms> (656)
N/A 

>  <Target> (656)
Dopamine Receptor

>  <Form> (656)
Free Base

>  <URL> (656)
http://www.selleckchem.com/products/rotundine.html

>  <CAS Number> (656)
483-14-7

>  <Plate Location> (656)
b3

>  <Rack Number> (656)
L1700-11

$$$$
Tolbutamide.cdx
csChFnd80/04011511122D

 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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    0.0000    1.4000    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
  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
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  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
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M  END
>  <Mol_ID> (657)
657

>  <Formula> (657)
C12H18N2O3S

>  <MolWeight> (657)
270.34792

>  <Item Name> (657)
Tolbutamide

>  <Catalog Number> (657)
S2443 

>  <Synonyms> (657)
N/A 

>  <Target> (657)
Potassium Channel 

>  <Form> (657)
Free Base

>  <URL> (657)
http://www.selleckchem.com/products/tolbutamide.html

>  <CAS Number> (657)
64-77-7

>  <Plate Location> (657)
f3

>  <Rack Number> (657)
L1700-11

$$$$
Hesperetin.cdx
csChFnd80/04011511122D

 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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    4.8455    1.3951    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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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (658)
658

>  <Formula> (658)
C16H14O6

>  <MolWeight> (658)
302.27876

>  <Item Name> (658)
Hesperetin

>  <Catalog Number> (658)
S2308

>  <Synonyms> (658)
N/A

>  <Target> (658)
Histamine Receptor

>  <Form> (658)
Free Base

>  <URL> (658)
http://www.selleckchem.com/products/Hesperetin.html

>  <CAS Number> (658)
520-33-2

>  <Plate Location> (658)
e2

>  <Rack Number> (658)
L1700-10

$$$$
Hesperidin.cdx
csChFnd80/04011511122D

 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
    7.2704    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4828    4.1951    0.0000 O   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
    4.8455    3.4951    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
    3.6331    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5951    0.0000 O   0  0  0  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
    1.2082    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    8.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    9.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1201   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408   10.4927    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
    0.0000    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657   11.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532   12.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408   11.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532   13.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   12.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   13.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.3927    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
  2  9  1  6  0  0  0
 10  8  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 10 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
  5 17  1  1  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  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
 21 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
 25 28  1  1  0  0  0
  3 29  1  1  0  0  0
 15 30  1  1  0  0  0
 28 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 28  1  0  0  0  0
 16 36  1  6  0  0  0
 14 37  1  6  0  0  0
  4 38  1  6  0  0  0
 27 39  2  0  0  0  0
 34 40  1  0  0  0  0
 33 41  1  0  0  0  0
 41 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
>  <Mol_ID> (659)
659

>  <Formula> (659)
C28H34O15

>  <MolWeight> (659)
610.56056

>  <Item Name> (659)
Hesperidin

>  <Catalog Number> (659)
S2309

>  <Synonyms> (659)
N/A

>  <Target> (659)
NULL

>  <Form> (659)
Free Base

>  <URL> (659)
http://www.selleckchem.com/products/Hesperidin.html

>  <CAS Number> (659)
520-26-3

>  <Plate Location> (659)
f2

>  <Rack Number> (659)
L1700-10

$$$$
Honokiol.cdx
csChFnd80/04011511122D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (660)
660

>  <Formula> (660)
C18H18O2

>  <MolWeight> (660)
266.33432

>  <Item Name> (660)
Honokiol

>  <Catalog Number> (660)
S2310

>  <Synonyms> (660)
N/A

>  <Target> (660)
Akt, MEK

>  <Form> (660)
Free Base

>  <URL> (660)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (660)
35354-74-6

>  <Plate Location> (660)
g2

>  <Rack Number> (660)
L1700-10

$$$$
Hyodeoxycholic acid.cdx
csChFnd80/04011511122D

 32 35  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  2  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  2  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  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
    3.6331    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    7.3546    0.0000 C   0  0  2  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    0.0000    0.0000 O   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 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 C   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
   11.6101    6.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8183    7.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0265    6.9447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8183    9.0374    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  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
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
  2 23  1  6  0  0  0
  7 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 22 27  1  6  0  0  0
 22 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
M  END
>  <Mol_ID> (661)
661

>  <Formula> (661)
C24H40O4

>  <MolWeight> (661)
392.572

>  <Item Name> (661)
Hyodeoxycholic acid (HDCA)

>  <Catalog Number> (661)
S2311

>  <Synonyms> (661)
3¦Á,6¦Á-Dihydroxy-5¦Â-cholan-24-oic acid, HDCA 

>  <Target> (661)
Others

>  <Form> (661)
Free Base

>  <URL> (661)
http://www.selleckchem.com/products/Hyodeoxycholic-acid(HDCA).html

>  <CAS Number> (661)
83-49-8

>  <Plate Location> (661)
h2

>  <Rack Number> (661)
L1700-10

$$$$
Icariin.cdx
csChFnd80/04011511122D

 48 52  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    7.6951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4207    8.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 O   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
    6.0580    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 O   0  0  0  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
    8.4828    6.2951    0.0000 C   0  0  0  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
    7.2704    8.3951    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 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9077    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1202    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3326    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    3.4951    0.0000 C   0  0  1  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
   14.5450    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    9.7951    0.0000 C   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
    2.4207    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828   11.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911   12.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532   11.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  6  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  2  0  0  0  0
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PDE

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Free Base

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489-32-7

>  <Plate Location> (662)
a3

>  <Rack Number> (662)
L1700-10

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csChFnd80/04011511122D

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N/A

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Others

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Free Base

>  <URL> (663)
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>  <CAS Number> (663)
700-06-1

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b3

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Kaempferol.cdx
csChFnd80/04011511122D

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664

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C15H10O6

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Kaempferol

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>  <Target> (664)
Others

>  <Form> (664)
Free Base

>  <URL> (664)
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>  <CAS Number> (664)
520-18-3

>  <Plate Location> (664)
c3

>  <Rack Number> (664)
L1700-10

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Kinetin.cdx
csChFnd80/04011511122D

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C10H9N5O

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6-Furfuryladenine, N6-Furfuryladenine, 6-Furfurylaminopurine,Cytokinin 

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Free Base

>  <URL> (665)
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525-79-1

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d3

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L1700-10

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Limonin.cdx
csChFnd80/04011511122D

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666

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C26H30O8

>  <MolWeight> (666)
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Limonin

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S2319

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N/A

>  <Target> (666)
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>  <CAS Number> (666)
1180-71-8

>  <Plate Location> (666)
f3

>  <Rack Number> (666)
L1700-10

$$$$
Luteolin.cdx
csChFnd80/04011511122D

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Luteolin

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S2320

>  <Synonyms> (667)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (667)
PDE

>  <Form> (667)
Free Base

>  <URL> (667)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

>  <CAS Number> (667)
491-70-3 

>  <Plate Location> (667)
g3

>  <Rack Number> (667)
L1700-10

$$$$
Magnolol.cdx
csChFnd80/04011511122D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  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
  3 16  1  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
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (668)
668

>  <Formula> (668)
C18H18O2

>  <MolWeight> (668)
266.33432

>  <Item Name> (668)
Magnolol

>  <Catalog Number> (668)
S2321

>  <Synonyms> (668)
2,2'-Bichavicol

>  <Target> (668)
Others

>  <Form> (668)
Free Base

>  <URL> (668)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

>  <CAS Number> (668)
528-43-8

>  <Plate Location> (668)
h3

>  <Rack Number> (668)
L1700-10

$$$$
matrine.cdx
csChFnd80/04011511122D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
  6 19  1  6  0  0  0
 10 20  1  6  0  0  0
 11 21  1  1  0  0  0
  5 22  1  6  0  0  0
M  END
>  <Mol_ID> (669)
669

>  <Formula> (669)
C15H24N2O

>  <MolWeight> (669)
248.36386

>  <Item Name> (669)
Matrine ((+)-Matrine)

>  <Catalog Number> (669)
S2322

>  <Synonyms> (669)
(+)-Matrine

>  <Target> (669)
Opioid Receptor

>  <Form> (669)
Free Base

>  <URL> (669)
http://www.selleckchem.com/products/Matrine((+)-Matrine).html

>  <CAS Number> (669)
519-02-8 

>  <Plate Location> (669)
a4

>  <Rack Number> (669)
L1700-10

$$$$
Methyl-Hesperidin.cdx
csChFnd80/04011511122D

 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
    2.4207   10.0771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    2.4207    5.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4702    3.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 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> (670)
670

>  <Formula> (670)
C29H38O16

>  <MolWeight> (670)
642.60242

>  <Item Name> (670)
Methyl-Hesperidin

>  <Catalog Number> (670)
S2323

>  <Synonyms> (670)
N/A

>  <Target> (670)
Others

>  <Form> (670)
Free Base

>  <URL> (670)
http://www.selleckchem.com/products/Methyl-Hesperidin.html

>  <CAS Number> (670)
11013-97-1

>  <Plate Location> (670)
b4

>  <Rack Number> (670)
L1700-10

$$$$
Morin.cdx
csChFnd80/04011511122D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.9819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.9819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.3795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1659    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (671)
671

>  <Formula> (671)
C15H12O8

>  <MolWeight> (671)
320.25098

>  <Item Name> (671)
Morin hydrate (Aurantica)

>  <Catalog Number> (671)
S2325

>  <Synonyms> (671)
N/A

>  <Target> (671)
Others

>  <Form> (671)
Hydrate

>  <URL> (671)
http://www.selleckchem.com/products/Morin-hydrate(Aurantica).html

>  <CAS Number> (671)
6202-27-3

>  <Plate Location> (671)
c4

>  <Rack Number> (671)
L1700-10

$$$$
Myricetin.cdx
csChFnd80/04011511122D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (672)
672

>  <Formula> (672)
C15H10O8

>  <MolWeight> (672)
318.2351

>  <Item Name> (672)
Myricetin (Cannabiscetin)

>  <Catalog Number> (672)
S2326

>  <Synonyms> (672)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (672)
NULL

>  <Form> (672)
Free Base

>  <URL> (672)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

>  <CAS Number> (672)
529-44-2

>  <Plate Location> (672)
d4

>  <Rack Number> (672)
L1700-10

$$$$
Myricitrin.cdx
csChFnd80/04011511122D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (673)
673

>  <Formula> (673)
C21H20O12

>  <MolWeight> (673)
464.3763

>  <Item Name> (673)
Myricitrin (Myricitrine)

>  <Catalog Number> (673)
S2327

>  <Synonyms> (673)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (673)
Others

>  <Form> (673)
Free Base

>  <URL> (673)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

>  <CAS Number> (673)
17912-87-7

>  <Plate Location> (673)
e4

>  <Rack Number> (673)
L1700-10

$$$$
L(+)-Rhamnose Monohydrate.cdx
csChFnd80/04011511122D

 12 10  0  0  0  0  0  0  0  0999 V2000
    4.0463    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.9253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    6.1378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.9253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2000    6.1378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.7129    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5000    2.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    3.7129    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3000    4.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.5004    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  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (674)
674

>  <Formula> (674)
C6H14O6

>  <MolWeight> (674)
182.17176

>  <Item Name> (674)
L (+)-Rhamnose Monohydrate

>  <Catalog Number> (674)
S2317

>  <Synonyms> (674)
N/A

>  <Target> (674)
Others

>  <URL> (674)
http://www.selleckchem.com/products/L(+)-Rhamnose-Monohydrate.html

>  <CAS Number> (674)
10030-85-0 

>  <Plate Location> (674)
e3

>  <Rack Number> (674)
L1700-10

$$$$
Nalidixic acid.cdx
csChFnd80/04011511122D

 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> (675)
675

>  <Formula> (675)
C12H12N2O3

>  <MolWeight> (675)
232.23528

>  <Item Name> (675)
Nalidixic acid (NegGram)

>  <Catalog Number> (675)
S2328

>  <Synonyms> (675)
NegGram, Nevigramon, Nalidixin, Uronidix 

>  <Target> (675)
Others

>  <Form> (675)
Free Base

>  <URL> (675)
http://www.selleckchem.com/products/Nalidixic-acid(NegGram).html

>  <CAS Number> (675)
389-08-2

>  <Plate Location> (675)
f4

>  <Rack Number> (675)
L1700-10

$$$$
Naringin.cdx
csChFnd80/04011511122D

 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> (676)
676

>  <Formula> (676)
C27H32O14

>  <MolWeight> (676)
580.53458

>  <Item Name> (676)
Naringin (Naringoside)

>  <Catalog Number> (676)
S2329

>  <Synonyms> (676)
Naringoside, Naringenine-7-rhamnosidoglucoside 

>  <Target> (676)
Others

>  <Form> (676)
Free Base

>  <URL> (676)
http://www.selleckchem.com/products/Naringin(Naringoside).html

>  <CAS Number> (676)
10236-47-2 

>  <Plate Location> (676)
g4

>  <Rack Number> (676)
L1700-10

$$$$
Nobiletin.cdx
csChFnd80/04011511122D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 18  2  0  0  0  0
 12 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (677)
677

>  <Formula> (677)
C21H22O8

>  <MolWeight> (677)
402.39458

>  <Item Name> (677)
Nobiletin (Hexamethoxyflavone)

>  <Catalog Number> (677)
S2333

>  <Synonyms> (677)
N/A 

>  <Target> (677)
Others

>  <Form> (677)
Free Base

>  <URL> (677)
http://www.selleckchem.com/products/Nobiletin(Hexamethoxyflavone).html

>  <CAS Number> (677)
478-01-3

>  <Plate Location> (677)
a5

>  <Rack Number> (677)
L1700-10

$$$$
Oleanolic Acid.cdx
csChFnd80/04011511122D

 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
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    9.6953    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.4124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4828    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6331    4.7124    0.0000 C   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
    7.2704    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  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
 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
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 21 22  1  0  0  0  0
 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
 21 26  1  0  0  0  0
 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> (678)
678

>  <Formula> (678)
C30H48O3

>  <MolWeight> (678)
456.70032

>  <Item Name> (678)
Oleanolic Acid (Caryophyllin)

>  <Catalog Number> (678)
S2334

>  <Synonyms> (678)
Caryophyllin, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B 

>  <Target> (678)
Others

>  <Form> (678)
Free Base

>  <URL> (678)
http://www.selleckchem.com/products/Oleanolic-Acid(Caryophyllin).html

>  <CAS Number> (678)
508-02-1

>  <Plate Location> (678)
b5

>  <Rack Number> (678)
L1700-10

$$$$
Oridonin.cdx
csChFnd80/04011511122D

 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
    0.6429    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.5553    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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  1  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
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  6 15  1  0  0  0  0
 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
  1 21  1  6  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
 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> (679)
679

>  <Formula> (679)
C20H28O6

>  <MolWeight> (679)
364.43272

>  <Item Name> (679)
Oridonin (Isodonol)

>  <Catalog Number> (679)
S2335

>  <Synonyms> (679)
Isodonol

>  <Target> (679)
Others

>  <Form> (679)
Free Base

>  <URL> (679)
http://www.selleckchem.com/products/Oridonin(Isodonol).html

>  <CAS Number> (679)
28957-04-2

>  <Plate Location> (679)
c5

>  <Rack Number> (679)
L1700-10

$$$$
OROTIC ACID.cdx
csChFnd80/04011511122D

 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
  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  2  0  0  0  0
  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> (680)
680

>  <Formula> (680)
C5H4N2O4

>  <MolWeight> (680)
156.09626

>  <Item Name> (680)
Orotic acid (6-Carboxyuracil)

>  <Catalog Number> (680)
S2336

>  <Synonyms> (680)
6-Carboxyuracil, Orodin, Oropur, Orotonin, Orotonsan 

>  <Target> (680)
Others

>  <Form> (680)
Free Base

>  <URL> (680)
http://www.selleckchem.com/products/Orotic-acid(6-Carboxyuracil).html

>  <CAS Number> (680)
65-86-1

>  <Plate Location> (680)
d5

>  <Rack Number> (680)
L1700-10

$$$$
Osthole.cdx
csChFnd80/04011511122D

 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> (681)
681

>  <Formula> (681)
C15H16O3

>  <MolWeight> (681)
244.28574

>  <Item Name> (681)
Osthole (Osthol)

>  <Catalog Number> (681)
S2337

>  <Synonyms> (681)
Osthol, Ostole, Ostol

>  <Target> (681)
Others

>  <Form> (681)
Free Base

>  <URL> (681)
http://www.selleckchem.com/products/Osthole(Osthol).html

>  <CAS Number> (681)
484-12-8

>  <Plate Location> (681)
e5

>  <Rack Number> (681)
L1700-10

$$$$
Oxymatrine.cdx
csChFnd80/04011511122D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (682)
682

>  <Formula> (682)
C15H24N2O2

>  <MolWeight> (682)
264.36326

>  <Item Name> (682)
Oxymatrine (Matrine N-oxide)

>  <Catalog Number> (682)
S2338

>  <Synonyms> (682)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (682)
Others

>  <Form> (682)
Free Base

>  <URL> (682)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

>  <CAS Number> (682)
16837-52-8 

>  <Plate Location> (682)
f5

>  <Rack Number> (682)
L1700-10

$$$$
Paeonol.cdx
csChFnd80/04011511122D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (683)
683

>  <Formula> (683)
C9H10O3

>  <MolWeight> (683)
166.1739

>  <Item Name> (683)
Paeonol (Peonol)

>  <Catalog Number> (683)
S2339

>  <Synonyms> (683)
Peonol

>  <Target> (683)
Others

>  <Form> (683)
Free Base

>  <URL> (683)
http://www.selleckchem.com/products/Paeonol(Peonol).html

>  <CAS Number> (683)
552-41-0 

>  <Plate Location> (683)
g5

>  <Rack Number> (683)
L1700-10

$$$$
Parthenolide.cdx
csChFnd80/04011511122D

 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
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  5  6  2  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  7 11  1  6  0  0  0
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  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
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 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> (684)
684

>  <Formula> (684)
C15H20O3

>  <MolWeight> (684)
248.3175

>  <Item Name> (684)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (684)
S2341

>  <Synonyms> (684)
N/A 

>  <Target> (684)
Others

>  <Form> (684)
Free Base

>  <URL> (684)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

>  <CAS Number> (684)
20554-84-1

>  <Plate Location> (684)
h5

>  <Rack Number> (684)
L1700-10

$$$$
Phloretin.cdx
csChFnd80/04011511122D

 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
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    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
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  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
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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  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> (685)
685

>  <Formula> (685)
C15H14O5

>  <MolWeight> (685)
274.26866

>  <Item Name> (685)
Phloretin (Dihydronaringenin)

>  <Catalog Number> (685)
S2342

>  <Synonyms> (685)
Dihydronaringenin, Phloretol

>  <Target> (685)
Others

>  <Form> (685)
Free Base

>  <URL> (685)
http://www.selleckchem.com/products/Phloretin(Dihydronaringenin).html

>  <CAS Number> (685)
60-82-2

>  <Plate Location> (685)
a6

>  <Rack Number> (685)
L1700-10

$$$$
Phlorizin.cdx
csChFnd80/04011511122D

 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
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 10  1  1  0  0  0  0
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 13  5  1  0  0  0  0
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M  END
>  <Mol_ID> (686)
686

>  <Formula> (686)
C21H24O10

>  <MolWeight> (686)
436.40926

>  <Item Name> (686)
Phlorizin (Phloridzin)

>  <Catalog Number> (686)
S2343

>  <Synonyms> (686)
Phlorhizin, Phlorizoside 

>  <Target> (686)
Others

>  <Form> (686)
Free Base

>  <URL> (686)
http://www.selleckchem.com/products/Phlorizin(Phloridzin).html

>  <CAS Number> (686)
60-81-1

>  <Plate Location> (686)
b6

>  <Rack Number> (686)
L1700-10

$$$$
Piperine.cdx
csChFnd80/04011511122D

 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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    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
    0.0042    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
  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
 12 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 13  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
  7 21  2  0  0  0  0
M  END
>  <Mol_ID> (687)
687

>  <Formula> (687)
C17H19NO3

>  <MolWeight> (687)
285.33766

>  <Item Name> (687)
Piperine (1-Piperoylpiperidine)

>  <Catalog Number> (687)
S2344

>  <Synonyms> (687)
Piperin 

>  <Target> (687)
Others

>  <Form> (687)
Free Base

>  <URL> (687)
http://www.selleckchem.com/products/Piperine(1-Piperoylpiperidine).html

>  <CAS Number> (687)
94-62-2 

>  <Plate Location> (687)
c6

>  <Rack Number> (687)
L1700-10

$$$$
Puerarin.cdx
csChFnd80/04011511122D

 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
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    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> (688)
688

>  <Formula> (688)
C21H20O10

>  <MolWeight> (688)
432.3775

>  <Item Name> (688)
Puerarin (Kakonein)

>  <Catalog Number> (688)
S2346

>  <Synonyms> (688)
NPI-31G 

>  <Target> (688)
Others

>  <Form> (688)
Free Base

>  <URL> (688)
http://www.selleckchem.com/products/Puerarin(Kakonein).html

>  <CAS Number> (688)
3681-99-0

>  <Plate Location> (688)
d6

>  <Rack Number> (688)
L1700-10

$$$$
Quercetin dihydrate.cdx
csChFnd80/04011511122D

 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> (689)
689

>  <Formula> (689)
C15H14O9

>  <MolWeight> (689)
338.26626

>  <Item Name> (689)
Quercetin dihydrate (Sophoretin)

>  <Catalog Number> (689)
S2347

>  <Synonyms> (689)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (689)
Others

>  <Form> (689)
Dihydrate

>  <URL> (689)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

>  <CAS Number> (689)
6151-25-3

>  <Plate Location> (689)
e6

>  <Rack Number> (689)
L1700-10

$$$$
Rutaecarpine.cdx
csChFnd80/04011511122D

 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    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> (690)
690

>  <Formula> (690)
C18H13N3O

>  <MolWeight> (690)
287.31532

>  <Item Name> (690)
Rutaecarpine (Rutecarpine)

>  <Catalog Number> (690)
S2349

>  <Synonyms> (690)
Rutecarpine, Rutacarpine, Rutaecarpin, Rhetine 

>  <Target> (690)
Others

>  <Form> (690)
Free Base

>  <URL> (690)
http://www.selleckchem.com/products/Rutaecarpine(Rutecarpine).html

>  <CAS Number> (690)
84-26-4

>  <Plate Location> (690)
f6

>  <Rack Number> (690)
L1700-10

$$$$
Rutin DAB10.cdx
csChFnd80/04011511122D

 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
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    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
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    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
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   12.1075   11.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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M  END
>  <Mol_ID> (691)
691

>  <Formula> (691)
C27H30O16

>  <MolWeight> (691)
610.5175

>  <Item Name> (691)
Rutin (Rutoside)

>  <Catalog Number> (691)
S2350

>  <Synonyms> (691)
Quercetin 3-rutinoside, Rutin trihydrate, Phytomelin, Birutan, Sophorin, Venoruton, Eldrin 

>  <Target> (691)
NULL

>  <Form> (691)
Free Base

>  <URL> (691)
http://www.selleckchem.com/products/Rutin(Rutoside).html

>  <CAS Number> (691)
153-18-4

>  <Plate Location> (691)
g6

>  <Rack Number> (691)
L1700-10

$$$$
Salicin.cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (692)
692

>  <Formula> (692)
C13H18O7

>  <MolWeight> (692)
286.27782

>  <Item Name> (692)
Salicin (Salicoside, Salicine)

>  <Catalog Number> (692)
S2351

>  <Synonyms> (692)
Salicoside, Salicine

>  <Target> (692)
Others

>  <Form> (692)
Free Base

>  <URL> (692)
http://www.selleckchem.com/products/Salicin(Salicoside,-Salicine).html

>  <CAS Number> (692)
138-52-3

>  <Plate Location> (692)
h6

>  <Rack Number> (692)
L1700-10

$$$$
Sclareol.cdx
csChFnd80/04011511122D

 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
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    5.0324    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 10 12  1  0  0  0  0
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  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> (693)
693

>  <Formula> (693)
C20H36O2

>  <MolWeight> (693)
308.49864

>  <Item Name> (693)
Sclareol

>  <Catalog Number> (693)
S2354

>  <Synonyms> (693)
N/A

>  <Target> (693)
Others

>  <Form> (693)
Free Base

>  <URL> (693)
http://www.selleckchem.com/products/Sclareol.html

>  <CAS Number> (693)
515-03-7

>  <Plate Location> (693)
a7

>  <Rack Number> (693)
L1700-10

$$$$
Dihydromyricetin.cdx
csChFnd80/04011511122D

 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
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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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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (694)
694

>  <Formula> (694)
C15H12O8

>  <MolWeight> (694)
320.25098

>  <Item Name> (694)
Dihydromyricetin (Ampeloptin)

>  <Catalog Number> (694)
S2399

>  <Synonyms> (694)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (694)
Others

>  <Form> (694)
Free Base

>  <URL> (694)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

>  <CAS Number> (694)
27200-12-0

>  <Plate Location> (694)
h11

>  <Rack Number> (694)
L1700-10

$$$$
Sodium Danshensu.cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (695)
695

>  <Formula> (695)
C9H9NaO5

>  <MolWeight> (695)
220.15453

>  <Item Name> (695)
Sodium Danshensu

>  <Catalog Number> (695)
S2401

>  <Synonyms> (695)
N/A

>  <Target> (695)
P450

>  <Form> (695)
Sodium Salt

>  <URL> (695)
http://www.selleckchem.com/products/Sodium-Danshensu.html

>  <CAS Number> (695)
67920-52-9

>  <Plate Location> (695)
a1

>  <Rack Number> (695)
L1700-11

$$$$
Tetrandrine.cdx
csChFnd80/04011511122D

 46 52  0  0  0  0  0  0  0  0999 V2000
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   11.1935   11.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6142    8.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 46 34  1  0  0  0  0
 46  4  1  0  0  0  0
M  END
>  <Mol_ID> (696)
696

>  <Formula> (696)
C38H42N2O6

>  <MolWeight> (696)
622.74988

>  <Item Name> (696)
Tetrandrine (Fanchinine)

>  <Catalog Number> (696)
S2403 

>  <Synonyms> (696)
Fanchinine, Hanfangchin A, NSC 77037, S,S-(+)-Tetrandrine, Sinomenine A, TTD, Tetrandrin, d-Tetrandr 

>  <Target> (696)
Calcium Channel 

>  <Form> (696)
Free Base

>  <URL> (696)
http://www.selleckchem.com/products/Tetrandrine-Fanchinine.html

>  <CAS Number> (696)
518-34-3

>  <Plate Location> (696)
b1

>  <Rack Number> (696)
L1700-11

$$$$
Isoliquiritigenin.cdx
csChFnd80/04011511122D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  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
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (697)
697

>  <Formula> (697)
C15H12O4

>  <MolWeight> (697)
256.25338

>  <Item Name> (697)
Isoliquiritigenin

>  <Catalog Number> (697)
S2404

>  <Synonyms> (697)
N/A

>  <Target> (697)
Others

>  <Form> (697)
Free Base

>  <URL> (697)
http://www.selleckchem.com/products/Isoliquiritigenin.html

>  <CAS Number> (697)
961-29-5

>  <Plate Location> (697)
c1

>  <Rack Number> (697)
L1700-11

$$$$
Sophocarpine.cdx
csChFnd80/04011511122D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.1951    0.0000 C   0  0  2  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
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 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> (698)
698

>  <Formula> (698)
C15H22N2O

>  <MolWeight> (698)
246.34798

>  <Item Name> (698)
Sophocarpine

>  <Catalog Number> (698)
S2405 

>  <Synonyms> (698)
N/A

>  <Target> (698)
Others

>  <Form> (698)
Free Base

>  <URL> (698)
http://www.selleckchem.com/products/Sophocarpine.html

>  <CAS Number> (698)
6483-15-4

>  <Plate Location> (698)
d1

>  <Rack Number> (698)
L1700-11

$$$$
Chrysophanic acid.cdx
csChFnd80/04011511122D

 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
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    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
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 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
 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> (699)
699

>  <Formula> (699)
C15H10O4

>  <MolWeight> (699)
254.2375

>  <Item Name> (699)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (699)
S2406

>  <Synonyms> (699)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (699)
EGFR, mTOR

>  <Form> (699)
Free Base

>  <URL> (699)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (699)
481-74-3

>  <Plate Location> (699)
e1

>  <Rack Number> (699)
L1700-11

$$$$
Curcumol.cdx
csChFnd80/04011511122D

 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
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    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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 10  3  1  0  0  0  0
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  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (700)
700

>  <Formula> (700)
C15H24O2

>  <MolWeight> (700)
236.34986

>  <Item Name> (700)
Curcumol

>  <Catalog Number> (700)
S2407

>  <Synonyms> (700)
N/A

>  <Target> (700)
Others

>  <Form> (700)
Free Base

>  <URL> (700)
http://www.selleckchem.com/products/Curcumol.html

>  <CAS Number> (700)
4871-97-0

>  <Plate Location> (700)
f1

>  <Rack Number> (700)
L1700-11

$$$$
Amantadine HCl.cdx
csChFnd80/04011511122D

 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> (701)
701

>  <Formula> (701)
C10H18ClN

>  <MolWeight> (701)
187.70962

>  <Item Name> (701)
Amantadine hydrochloride (Symmetrel)

>  <Catalog Number> (701)
S2451

>  <Synonyms> (701)
Symmetrel

>  <Target> (701)
Dopamine Receptor

>  <Form> (701)
Hydrochloride

>  <URL> (701)
selleckchem.com/products/Amantadine-hydrochloride(Symmetrel).html

>  <CAS Number> (701)
665-66-7

>  <Plate Location> (701)
b4

>  <Rack Number> (701)
L1700-11

$$$$
Amfebutamone HCl.cdx
csChFnd80/04011511122D

 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> (702)
702

>  <Formula> (702)
C13H19Cl2NO

>  <MolWeight> (702)
276.20206

>  <Item Name> (702)
Amfebutamone (Bupropion) HCl

>  <Catalog Number> (702)
S2452

>  <Synonyms> (702)
Wellbutrin, Zyban, Budeprion

>  <Target> (702)
Dopamine Receptor

>  <Form> (702)
Hydrochloride

>  <URL> (702)
http://www.selleckchem.com/products/Amfebutamone-hydrochloride(Bupropion).html

>  <CAS Number> (702)
31677-93-7

>  <Plate Location> (702)
c4

>  <Rack Number> (702)
L1700-11

$$$$
Benserazide hydrochloride.cdx
csChFnd80/04011511122D

 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> (703)
703

>  <Formula> (703)
C10H16ClN3O5

>  <MolWeight> (703)
293.70414

>  <Item Name> (703)
Benserazide

>  <Catalog Number> (703)
S2453

>  <Synonyms> (703)
Serazide

>  <Target> (703)
Dopamine Receptor

>  <Form> (703)
Hydrochloride

>  <URL> (703)
selleckchem.com/products/Benserazide-hydrochloride(Serazide).html

>  <CAS Number> (703)
14919-77-8

>  <Plate Location> (703)
d4

>  <Rack Number> (703)
L1700-11

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/04011511122D

 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> (704)
704

>  <Formula> (704)
C18H29ClN2O

>  <MolWeight> (704)
324.88866

>  <Item Name> (704)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (704)
S2454

>  <Synonyms> (704)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (704)
Others

>  <Form> (704)
Hydrochloride

>  <URL> (704)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (704)
18010-40-7

>  <Plate Location> (704)
e4

>  <Rack Number> (704)
L1700-11

$$$$
Astragaloside A.cdx
csChFnd80/04011511122D

 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> (705)
705

>  <Formula> (705)
C41H68O14

>  <MolWeight> (705)
784.97022

>  <Item Name> (705)
Astragaloside A

>  <Catalog Number> (705)
S2415

>  <Synonyms> (705)
Cyclosiversioside F

>  <Form> (705)
Free Base

>  <URL> (705)
http://www.selleckchem.com/products/astragaloside-a.html

>  <CAS Number> (705)
83207-58-3

>  <Plate Location> (705)
e2

>  <Rack Number> (705)
L1700-11

$$$$
Carbamyl-beta-methylcholine chloride.cdx
csChFnd80/04011511122D

 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> (706)
706

>  <Formula> (706)
C7H17ClN2O2

>  <MolWeight> (706)
196.67508

>  <Item Name> (706)
Bethanechol chloride

>  <Catalog Number> (706)
S2455

>  <Synonyms> (706)
N/A 

>  <Target> (706)
AChR

>  <Form> (706)
Chloride

>  <URL> (706)
selleckchem.com/products/Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride).html

>  <CAS Number> (706)
590-63-6

>  <Plate Location> (706)
f4

>  <Rack Number> (706)
L1700-11

$$$$
Chlorpromazine HCl.cdx
csChFnd80/04011511122D

 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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 17 18  1  0  0  0  0
 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> (707)
707

>  <Formula> (707)
C17H20Cl2N2S

>  <MolWeight> (707)
355.3251

>  <Item Name> (707)
Chlorpromazine (Sonazine)

>  <Catalog Number> (707)
S2456

>  <Synonyms> (707)
Promacid

>  <Target> (707)
Dopamine Receptor, Potassium Channel

>  <Form> (707)
Hydrochloride

>  <URL> (707)
http://www.selleckchem.com/products/Chlorpromazine-hydrochloride(Sonazine).html

>  <CAS Number> (707)
69-09-0

>  <Plate Location> (707)
g4

>  <Rack Number> (707)
L1700-11

$$$$
Clindamycin HCl.cdx
csChFnd80/04011511122D

 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
    0.0000    6.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (708)
708

>  <Formula> (708)
C18H34Cl2N2O5S

>  <MolWeight> (708)
461.44396

>  <Item Name> (708)
Clindamycin hydrochloride (Dalacin)

>  <Catalog Number> (708)
S2457

>  <Synonyms> (708)
Dalacin, Duac, BenzaClin,Clindoxyl, Acanya 

>  <Target> (708)
Others

>  <Form> (708)
Hydrochloride

>  <URL> (708)
http://www.selleckchem.com/products/Clindamycin-hydrochloride(Dalacin).html

>  <CAS Number> (708)
21462-39-5

>  <Plate Location> (708)
h4

>  <Rack Number> (708)
L1700-11

$$$$
Clonidine HCl.cdx
csChFnd80/04011511122D

 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> (709)
709

>  <Formula> (709)
C9H10Cl3N3

>  <MolWeight> (709)
266.5548

>  <Item Name> (709)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (709)
S2458

>  <Synonyms> (709)
Catapres

>  <Target> (709)
Adrenergic Receptor

>  <Form> (709)
Hydrochloride

>  <URL> (709)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (709)
4205-91-8

>  <Plate Location> (709)
a5

>  <Rack Number> (709)
L1700-11

$$$$
Clozapine.cdx
csChFnd80/04011511122D

 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
    9.2071    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1808    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1888    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5754    4.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9715    4.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5790    6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7903    7.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942    7.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7868    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  3  1  0  0  0  0
  9 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (710)
710

>  <Formula> (710)
C18H19ClN4

>  <MolWeight> (710)
326.82326

>  <Item Name> (710)
Clozapine (Clozaril)

>  <Catalog Number> (710)
S2459

>  <Synonyms> (710)
Leponex, Fazaclo

>  <Target> (710)
5-HT Receptor

>  <Form> (710)
Free Base

>  <URL> (710)
http://www.selleckchem.com/products/Clozapine(Clozaril).html

>  <CAS Number> (710)
5786-21-0

>  <Plate Location> (710)
b5

>  <Rack Number> (710)
L1700-11

$$$$
Dehydroepiandrosterone.cdx
csChFnd80/04011511122D

 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> (711)
711

>  <Formula> (711)
C19H28O2

>  <MolWeight> (711)
288.42442

>  <Item Name> (711)
Dehydroepiandrosterone (DHEA)

>  <Catalog Number> (711)
S2604

>  <Synonyms> (711)
DHEA

>  <Target> (711)
Androgen Receptor

>  <Form> (711)
Free Base

>  <URL> (711)
http://www.selleckchem.com/products/Dehydroepiandrosterone(DHEA).html

>  <CAS Number> (711)
53-43-0

>  <Plate Location> (711)
e6

>  <Rack Number> (711)
L1700-12

$$$$
Domperidone.cdx
csChFnd80/04011511122D

 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> (712)
712

>  <Formula> (712)
C22H24ClN5O2

>  <MolWeight> (712)
425.91126

>  <Item Name> (712)
Domperidone (Motilium)

>  <Catalog Number> (712)
S2461

>  <Synonyms> (712)
Motilium, Motillium, Motinorm, Costi 

>  <Target> (712)
Dopamine Receptor

>  <Form> (712)
Free Base

>  <URL> (712)
http://www.selleckchem.com/products/Domperidone(Motilium).html

>  <CAS Number> (712)
57808-66-9

>  <Plate Location> (712)
d5

>  <Rack Number> (712)
L1700-11

$$$$
Estriol.cdx
csChFnd80/04011511122D

 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> (713)
713

>  <Formula> (713)
C18H24O3

>  <MolWeight> (713)
288.38136

>  <Item Name> (713)
Estriol

>  <Catalog Number> (713)
S2466

>  <Synonyms> (713)
Oestriol

>  <Target> (713)
Estrogen/progestogen Receptor

>  <Form> (713)
Free Base

>  <URL> (713)
http://www.selleckchem.com/products/Estriol(Oestriol).html

>  <CAS Number> (713)
50-27-1

>  <Plate Location> (713)
e5

>  <Rack Number> (713)
L1700-11

$$$$
Famciclovir.cdx
csChFnd80/04011511122D

 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
    3.7521    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (714)
714

>  <Formula> (714)
C14H19N5O4

>  <MolWeight> (714)
321.33176

>  <Item Name> (714)
Famciclovir (Famvir)

>  <Catalog Number> (714)
S2467

>  <Synonyms> (714)
Famvir

>  <Target> (714)
Others

>  <Form> (714)
Free Base

>  <URL> (714)
http://www.selleckchem.com/products/Famciclovir(Famvir).html

>  <CAS Number> (714)
104227-87-4

>  <Plate Location> (714)
f5

>  <Rack Number> (714)
L1700-11

$$$$
Fenbendazole.cdx
csChFnd80/04011511122D

 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> (715)
715

>  <Formula> (715)
C15H13N3O2S

>  <MolWeight> (715)
299.34762

>  <Item Name> (715)
Fenbendazole (Panacur)

>  <Catalog Number> (715)
S2468

>  <Synonyms> (715)
 Panacur, Safe-Guard

>  <Target> (715)
Others

>  <Form> (715)
Free Base

>  <URL> (715)
http://www.selleckchem.com/products/Fenbendazole(Panacur).html

>  <CAS Number> (715)
43210-67-9

>  <Plate Location> (715)
g5

>  <Rack Number> (715)
L1700-11

$$$$
Gallamine triethiodide.cdx
csChFnd80/04011511122D

 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> (716)
716

>  <Formula> (716)
C30H60I3N3O3

>  <MolWeight> (716)
891.52911

>  <Item Name> (716)
Gallamine triethiodide (Flaxedil)

>  <Catalog Number> (716)
S2471

>  <Synonyms> (716)
Flaxedil

>  <Target> (716)
AChR

>  <Form> (716)
Lodine salt

>  <URL> (716)
http://www.selleckchem.com/products/Gallamine-triethiodide(Flaxedil).html

>  <CAS Number> (716)
65-29-2

>  <Plate Location> (716)
a6

>  <Rack Number> (716)
L1700-11

$$$$
Hexestrol.cdx
csChFnd80/04011511122D

 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> (717)
717

>  <Formula> (717)
C18H22O2

>  <MolWeight> (717)
270.36608

>  <Item Name> (717)
Hexestrol (Bibenzyl)

>  <Catalog Number> (717)
S2473

>  <Synonyms> (717)
Bibenzyl, Cycloestrol, Dihydro-stilbestro, Dihydrostilbestrol, Estra-Plex 

>  <Target> (717)
Estrogen/progestogen Receptor

>  <Form> (717)
Free Base

>  <URL> (717)
http://www.selleckchem.com/products/Hexestrol(Bibenzyl).html

>  <CAS Number> (717)
84-16-2

>  <Plate Location> (717)
b6

>  <Rack Number> (717)
L1700-11

$$$$
Imatinib.cdx
csChFnd80/04011511122D

 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> (718)
718

>  <Formula> (718)
C29H31N7O

>  <MolWeight> (718)
493.60274

>  <Item Name> (718)
Imatinib (STI571) 

>  <Catalog Number> (718)
S2475 

>  <Synonyms> (718)
STI571, Glivec

>  <Form> (718)
Free Base

>  <URL> (718)
http://www.selleckchem.com/products/Imatinib(STI571).html

>  <CAS Number> (718)
152459-95-5

>  <Plate Location> (718)
c6

>  <Rack Number> (718)
L1700-11

$$$$
Lincomycin  HCl.cdx
csChFnd80/04011511122D

 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> (719)
719

>  <Formula> (719)
C18H35ClN2O6S

>  <MolWeight> (719)
442.9983

>  <Item Name> (719)
Lincomycin hydrochloride (Lincocin)

>  <Catalog Number> (719)
S2479

>  <Synonyms> (719)
Lincocin

>  <Target> (719)
Others

>  <Form> (719)
Hydrochloride

>  <URL> (719)
http://www.selleckchem.com/products/Lincomycin-hydrochloride(Lincocin).html

>  <CAS Number> (719)
859-18-7

>  <Plate Location> (719)
e6

>  <Rack Number> (719)
L1700-11

$$$$
Loperamide HCl.cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (720)
720

>  <Formula> (720)
C29H34Cl2N2O2

>  <MolWeight> (720)
513.49846

>  <Item Name> (720)
Loperamide hydrochloride

>  <Catalog Number> (720)
S2480

>  <Synonyms> (720)
N/A

>  <Target> (720)
Opioid Receptor

>  <Form> (720)
Hydrochloride

>  <URL> (720)
http://www.selleckchem.com/products/Loperamide-hydrochloride.html

>  <CAS Number> (720)
34552-83-5

>  <Plate Location> (720)
f6

>  <Rack Number> (720)
L1700-11

$$$$
Manidipine.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (721)
721

>  <Formula> (721)
C35H38N4O6

>  <MolWeight> (721)
610.69942

>  <Item Name> (721)
Manidipine (Manyper)

>  <Catalog Number> (721)
S2481

>  <Synonyms> (721)
Artedil, Iperten 

>  <Target> (721)
Calcium Channel

>  <Form> (721)
Free Base

>  <URL> (721)
http://www.selleckchem.com/products/Manidipine(Manyper).html

>  <CAS Number> (721)
89226-50-6

>  <Plate Location> (721)
g6

>  <Rack Number> (721)
L1700-11

$$$$
LY 411575.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (722)
722

>  <Formula> (722)
C26H23F2N3O4

>  <MolWeight> (722)
479.4753264

>  <Item Name> (722)
LY411575

>  <Catalog Number> (722)
S2714

>  <Synonyms> (722)
N/A 

>  <Target> (722)
Gamma-secretase

>  <Form> (722)
Free Base

>  <URL> (722)
http://www.selleckchem.com/products/ly-411575.html

>  <CAS Number> (722)
209984-57-6

>  <Plate Location> (722)
c4

>  <Rack Number> (722)
L1700-13

$$$$
PCI-32765.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (723)
723

>  <Formula> (723)
C25H24N6O2

>  <MolWeight> (723)
440.49706

>  <Item Name> (723)
PCI-32765 (Ibrutinib)

>  <Catalog Number> (723)
S2680

>  <Synonyms> (723)
N/A

>  <Target> (723)
Src

>  <Form> (723)
Free Base

>  <URL> (723)
http://www.selleckchem.com/products/pci-32765.html

>  <CAS Number> (723)
936563-96-1

>  <Plate Location> (723)
f1

>  <Rack Number> (723)
L1700-13

$$$$
TAK-901.cdx
csChFnd80/04011511122D

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    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1272    3.8724    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  7  1  0  0  0  0
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 35 31  2  0  0  0  0
  9 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (727)
727

>  <Formula> (727)
C28H21N7OS

>  <MolWeight> (727)
503.57764

>  <Item Name> (727)
AMG 900

>  <Catalog Number> (727)
S2719

>  <Synonyms> (727)
N/A

>  <Target> (727)
Aurora Kinase

>  <Form> (727)
Free Base

>  <URL> (727)
http://www.selleckchem.com/products/amg-900.html

>  <CAS Number> (727)
945595-80-2

>  <Plate Location> (727)
f4

>  <Rack Number> (727)
L1700-13

$$$$
Manidipine HCl.cdx
csChFnd80/04011511122D

 47 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
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   15.7406    9.0927    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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 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 35  1  0  0  0  0
M  END
>  <Mol_ID> (728)
728

>  <Formula> (728)
C35H40Cl2N4O6

>  <MolWeight> (728)
683.6213

>  <Item Name> (728)
Manidipine dihydrochloride (CV-4093)

>  <Catalog Number> (728)
S2482

>  <Synonyms> (728)
N/A

>  <Target> (728)
Calcium Channel

>  <Form> (728)
Dihydrochloride

>  <URL> (728)
http://www.selleckchem.com/products/Manidipine-dihydrochloride(CV-4093).html

>  <CAS Number> (728)
89226-75-5

>  <Plate Location> (728)
h6

>  <Rack Number> (728)
L1700-11

$$$$
Milrinone.cdx
csChFnd80/04011511122D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 N   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    2.1000    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    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 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
    7.2662    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
    8.4718    3.4927    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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 12  7  1  0  0  0  0
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 11 15  1  0  0  0  0
 15 16  3  0  0  0  0
M  END
>  <Mol_ID> (729)
729

>  <Formula> (729)
C12H9N3O

>  <MolWeight> (729)
211.21936

>  <Item Name> (729)
Milrinone (Primacor)

>  <Catalog Number> (729)
S2484

>  <Synonyms> (729)
Primacor

>  <Target> (729)
ATPase

>  <Form> (729)
Free Base

>  <URL> (729)
http://www.selleckchem.com/products/Milrinone(Primacor).html

>  <CAS Number> (729)
78415-72-2

>  <Plate Location> (729)
a7

>  <Rack Number> (729)
L1700-11

$$$$

csChFnd80/04011511122D

 34 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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 14  9  1  0  0  0  0
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 11 20  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (730)
730

>  <Formula> (730)
C22H30Cl2N4O6

>  <MolWeight> (730)
517.4028

>  <Item Name> (730)
Mitoxantrone Hydrochloride

>  <Catalog Number> (730)
S2485

>  <Synonyms> (730)
Novantrone

>  <Target> (730)
Others

>  <Form> (730)
Hydrochloride

>  <URL> (730)
http://www.selleckchem.com/products/Mitoxantrone.html

>  <CAS Number> (730)
70476-82-3

>  <Plate Location> (730)
b7

>  <Rack Number> (730)
L1700-11

$$$$
Moroxydine HCl.cdx
csChFnd80/04011511122D

 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
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    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
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  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> (731)
731

>  <Formula> (731)
C6H14ClN5O

>  <MolWeight> (731)
207.66126

>  <Item Name> (731)
Moroxydine

>  <Catalog Number> (731)
S2486

>  <Synonyms> (731)
N/A

>  <Target> (731)
Others

>  <Form> (731)
Hydrochloride

>  <URL> (731)
http://www.selleckchem.com/products/Moroxydine-hydrochloride.html

>  <CAS Number> (731)
3160-91-6

>  <Plate Location> (731)
c7

>  <Rack Number> (731)
L1700-11

$$$$
Mycophenolic acid.cdx
csChFnd80/04011511122D

 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> (732)
732

>  <Formula> (732)
C17H20O6

>  <MolWeight> (732)
320.3371

>  <Item Name> (732)
Mycophenolic (Mycophenolate)

>  <Catalog Number> (732)
S2487

>  <Synonyms> (732)
Mycophenolate

>  <Target> (732)
Others

>  <Form> (732)
Free Base

>  <URL> (732)
http://www.selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

>  <CAS Number> (732)
24280-93-1

>  <Plate Location> (732)
d7

>  <Rack Number> (732)
L1700-11

$$$$
nateglinide.cdx
csChFnd80/04011511122D

 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> (733)
733

>  <Formula> (733)
C19H27NO3

>  <MolWeight> (733)
317.42258

>  <Item Name> (733)
Nateglinide (Starlix)

>  <Catalog Number> (733)
S2489

>  <Synonyms> (733)
Starlix

>  <Target> (733)
Potassium Channel

>  <Form> (733)
Free Base

>  <URL> (733)
http://www.selleckchem.com/products/Nateglinide(Starlix).html

>  <CAS Number> (733)
105816-04-4

>  <Plate Location> (733)
e7

>  <Rack Number> (733)
L1700-11

$$$$
Itraconazole.cdx
csChFnd80/04011511122D

 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
   15.9419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   20.1370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    5.4045    4.8158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4045    3.4158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7360    2.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    6.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    4.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    5.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    3.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 11 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
 20 21  1  0  0  0  0
 21 22  1  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
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  8 30  1  0  0  0  0
 31 30  1  1  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 31  1  0  0  0  0
 33 36  1  1  0  0  0
 33 37  1  6  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 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> (734)
734

>  <Formula> (734)
C35H38Cl2N8O4

>  <MolWeight> (734)
705.63342

>  <Item Name> (734)
Itraconazole (Sporanox)

>  <Catalog Number> (734)
S2476

>  <Synonyms> (734)
Sporanox

>  <Target> (734)
Others

>  <Form> (734)
Free Base

>  <URL> (734)
http://www.selleckchem.com/products/Itraconazole(Sporanox).html

>  <CAS Number> (734)
84625-61-6

>  <Plate Location> (734)
d6

>  <Rack Number> (734)
L1700-11

$$$$
Nitrendipine.cdx
csChFnd80/04011511122D

 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> (735)
735

>  <Formula> (735)
C18H20N2O6

>  <MolWeight> (735)
360.3612

>  <Item Name> (735)
Nitrendipine

>  <Catalog Number> (735)
S2491

>  <Synonyms> (735)
N/A

>  <Target> (735)
Calcium Channel

>  <Form> (735)
Free Base

>  <URL> (735)
http://www.selleckchem.com/products/Nitrendipine.html

>  <CAS Number> (735)
39562-70-4

>  <Plate Location> (735)
f7

>  <Rack Number> (735)
L1700-11

$$$$
Novobiocin sodium.cdx
csChFnd80/04011511122D

 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> (736)
736

>  <Formula> (736)
C31H35N2NaO11

>  <MolWeight> (736)
634.60617

>  <Item Name> (736)
Novobiocin sodium (Albamycin)

>  <Catalog Number> (736)
S2492

>  <Synonyms> (736)
Albamycin, Cathomycin

>  <Target> (736)
Others

>  <Form> (736)
Sodium Salt

>  <URL> (736)
www.selleckchem.com/products/Novobiocin-sodium(Albamycin).html

>  <CAS Number> (736)
1476-53-5

>  <Plate Location> (736)
g7

>  <Rack Number> (736)
L1700-11

$$$$
Olanzapine.cdx
csChFnd80/04011511122D

 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> (737)
737

>  <Formula> (737)
C17H20N4S

>  <MolWeight> (737)
312.4325

>  <Item Name> (737)
Olanzapine (Zyprexa)

>  <Catalog Number> (737)
S2493

>  <Synonyms> (737)
Zyprexa, Zalasta, Zolafren, Olzapin, Oferta, Zypadhera 

>  <Target> (737)
5-HT Receptor, Dopamine Receptor

>  <Form> (737)
Free Base

>  <URL> (737)
http://www.selleckchem.com/products/Olanzapine(Zyprexa).html

>  <CAS Number> (737)
132539-06-1

>  <Plate Location> (737)
h7

>  <Rack Number> (737)
L1700-11

$$$$
Olopatadine HCl.cdx
csChFnd80/04011511122D

 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> (738)
738

>  <Formula> (738)
C21H24ClNO3

>  <MolWeight> (738)
373.87316

>  <Item Name> (738)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (738)
S2494

>  <Synonyms> (738)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (738)
Histamine Receptor

>  <Form> (738)
Hydrochloride

>  <URL> (738)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (738)
140462-76-6

>  <Plate Location> (738)
a8

>  <Rack Number> (738)
L1700-11

$$$$
Oxymetazoline HCl.cdx
csChFnd80/04011511122D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5410    3.0181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777    4.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7777    5.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4083    4.9798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1700    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  5 13  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 19  1  0  0  0  0
 19 15  2  0  0  0  0
M  END
>  <Mol_ID> (739)
739

>  <Formula> (739)
C16H25ClN2O

>  <MolWeight> (739)
296.8355

>  <Item Name> (739)
Oxymetazoline hydrochloride

>  <Catalog Number> (739)
S2495

>  <Synonyms> (739)
N/A

>  <Target> (739)
Adrenergic Receptor

>  <Form> (739)
Hydrochloride

>  <URL> (739)
http://www.selleckchem.com/products/Oxymetazoline-hydrochloride.html

>  <CAS Number> (739)
2315-02-8

>  <Plate Location> (739)
b8

>  <Rack Number> (739)
L1700-11

$$$$
Ozagrel.cdx
csChFnd80/04011511122D

 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
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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 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> (740)
740

>  <Formula> (740)
C13H12N2O2

>  <MolWeight> (740)
228.24658

>  <Item Name> (740)
Ozagrel

>  <Catalog Number> (740)
S2496

>  <Synonyms> (740)
OKY 046 

>  <Target> (740)
Factor Xa

>  <Form> (740)
Free Base

>  <URL> (740)
http://www.selleckchem.com/products/Ozagrel.html

>  <CAS Number> (740)
82571-53-7

>  <Plate Location> (740)
c8

>  <Rack Number> (740)
L1700-11

$$$$
Pancuronium bromide.cdx
csChFnd80/04011511122D

 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
    3.6331    2.7951    0.0000 C   0  0  2  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 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
   11.0268    6.7278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    9.6953    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4579    8.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2448    5.5951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
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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
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 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
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 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> (741)
741

>  <Formula> (741)
C35H60Br2N2O4

>  <MolWeight> (741)
732.6699

>  <Item Name> (741)
Pancuronium (Pavulon)

>  <Catalog Number> (741)
S2497

>  <Synonyms> (741)
N/A 

>  <Target> (741)
AChR

>  <Form> (741)
Bromide

>  <URL> (741)
http://www.selleckchem.com/products/Pancuronium-bromide(Pavulon).html

>  <CAS Number> (741)
15500-66-0

>  <Plate Location> (741)
d8

>  <Rack Number> (741)
L1700-11

$$$$
Pantothenic acid.cdx
csChFnd80/04011511122D

 16 15  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  0  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  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 N   0  0  0  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    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
    1.7267    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1315    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3440    3.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391    3.3167    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  7  1  0  0  0  0
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  5 12  2  0  0  0  0
  3 13  1  0  0  0  0
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  4 15  1  1  0  0  0
  4 16  1  6  0  0  0
M  END
>  <Mol_ID> (742)
742

>  <Formula> (742)
C9H17NO5

>  <MolWeight> (742)
219.23498

>  <Item Name> (742)
Pantothenic acid (pantothenate)

>  <Catalog Number> (742)
S2498

>  <Synonyms> (742)
pantothenate, vitamin B5

>  <Target> (742)
Others

>  <Form> (742)
Free Base

>  <URL> (742)
http://www.selleckchem.com/products/Pantothenic-acid(pantothenate).html

>  <CAS Number> (742)
79-83-4 

>  <Plate Location> (742)
e8

>  <Rack Number> (742)
L1700-11

$$$$
GSK2126458.cdx
csChFnd80/04011511122D

 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
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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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  4  5  2  0  0  0  0
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  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 17 26  1  0  0  0  0
 21 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
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 27 32  2  0  0  0  0
 20 28  1  0  0  0  0
 14 23  1  0  0  0  0
 33 34  1  0  0  0  0
 11 33  1  0  0  0  0
 10 12  1  0  0  0  0
  4 35  1  0  0  0  0
  2 36  1  0  0  0  0
M  END
>  <Mol_ID> (743)
743

>  <Formula> (743)
C25H17F2N5O3S

>  <MolWeight> (743)
505.4959864

>  <Item Name> (743)
GSK2126458

>  <Catalog Number> (743)
S2658

>  <Synonyms> (743)
N/A 

>  <Target> (743)
PI3K, mTOR

>  <Form> (743)
Free Base

>  <URL> (743)
http://www.selleckchem.com/products/gsk2126458.html

>  <CAS Number> (743)
1086062-66-9 

>  <Plate Location> (743)
e10

>  <Rack Number> (743)
L1700-12

$$$$
Quinine hydrochloride dihydrate.cdx
csChFnd80/04011511122D

 29 29  0  0  0  0  0  0  0  0999 V2000
    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
    2.4165    2.1000    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
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    6.2762    5.8851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    8.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1689    8.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    6.1298    4.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7298    4.2893    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  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> (744)
744

>  <Formula> (744)
C20H29ClN2O4

>  <MolWeight> (744)
396.90826

>  <Item Name> (744)
Quinine hydrochloride dihydrate

>  <Catalog Number> (744)
S2502

>  <Synonyms> (744)
N/A

>  <Target> (744)
Others

>  <Form> (744)
Dydrate

>  <URL> (744)
http://www.selleckchem.com/products/Quinine-hydrochloride-dihydrate.html

>  <CAS Number> (744)
6119-47-7 

>  <Plate Location> (744)
h8

>  <Rack Number> (744)
L1700-11

$$$$
Racecadotril.cdx
csChFnd80/04011511122D

 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> (745)
745

>  <Formula> (745)
C21H23NO4S

>  <MolWeight> (745)
385.47662

>  <Item Name> (745)
Racecadotril (Acetorphan)

>  <Catalog Number> (745)
S2503

>  <Synonyms> (745)
Acetorphan

>  <Target> (745)
Opioid Receptor

>  <Form> (745)
Free Base

>  <URL> (745)
http://www.selleckchem.com/products/Racecadotril(Acetorphan).html

>  <CAS Number> (745)
81110-73-8

>  <Plate Location> (745)
a9

>  <Rack Number> (745)
L1700-11

$$$$
Ribavirin.cdx
csChFnd80/04011511122D

 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> (746)
746

>  <Formula> (746)
C8H12N4O5

>  <MolWeight> (746)
244.20468

>  <Item Name> (746)
Ribavirin (Copegus)

>  <Catalog Number> (746)
S2504

>  <Synonyms> (746)
Rebetol, Ribasphere, Vilona, Virazole 

>  <Target> (746)
Others

>  <Form> (746)
Free Base

>  <URL> (746)
http://www.selleckchem.com/products/Ribavirin(Copegus).html

>  <CAS Number> (746)
36791-04-5

>  <Plate Location> (746)
b9

>  <Rack Number> (746)
L1700-11

$$$$
Scopolamine hydrobromide.cdx
csChFnd80/04011511122D

 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> (747)
747

>  <Formula> (747)
C17H22BrNO4

>  <MolWeight> (747)
384.26488

>  <Item Name> (747)
Scopolamine hydrobromide

>  <Catalog Number> (747)
S2508

>  <Synonyms> (747)
N/A

>  <Target> (747)
Others

>  <Form> (747)
Hydrobromide

>  <URL> (747)
http://www.selleckchem.com/products/Scopolamine-hydrobromide.html

>  <CAS Number> (747)
114-49-8

>  <Plate Location> (747)
d9

>  <Rack Number> (747)
L1700-11

$$$$
Sotalol HCl.cdx
csChFnd80/04011511122D

 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> (748)
748

>  <Formula> (748)
C12H21ClN2O3S

>  <MolWeight> (748)
308.82474

>  <Item Name> (748)
Sotalol (Betapace)

>  <Catalog Number> (748)
S2509

>  <Synonyms> (748)
Sotalex

>  <Target> (748)
Adrenergic Receptor

>  <Form> (748)
Hydrochloride

>  <URL> (748)
http://www.selleckchem.com/products/Sotalol-hydrochloride(Betapace).html

>  <CAS Number> (748)
959-24-0

>  <Plate Location> (748)
e9

>  <Rack Number> (748)
L1700-11

$$$$
Spectinomycin  HCl.cdx
csChFnd80/04011511122D

 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
    9.6911    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1496    4.2313    0.0000 Cl  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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  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> (749)
749

>  <Formula> (749)
C14H26Cl2N2O7

>  <MolWeight> (749)
405.27144

>  <Item Name> (749)
Spectinomycin  hydrochloride

>  <Catalog Number> (749)
S2510

>  <Synonyms> (749)
N/A

>  <Target> (749)
Others

>  <Form> (749)
Hydrochloride

>  <URL> (749)
www.selleckchem.com/products/Spectinomycin--hydrochloride.html

>  <CAS Number> (749)
21736-83-4

>  <Plate Location> (749)
f9

>  <Rack Number> (749)
L1700-11

$$$$
Terbinafine hydrochloride.cdx
csChFnd80/04011511122D

 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
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    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
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    3.6373    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  3  7  1  0  0  0  0
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  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
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 17 18  1  0  0  0  0
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 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> (750)
750

>  <Formula> (750)
C21H26ClN

>  <MolWeight> (750)
327.89084

>  <Item Name> (750)
Terbinafine hydrochloride (Lamisil)

>  <Catalog Number> (750)
S2557

>  <Synonyms> (750)
Zabel

>  <Target> (750)
Others

>  <Form> (750)
Hydrochloride

>  <URL> (750)
www.selleckchem.com/products/Terbinafine-hydrochloride(Zabel).html

>  <CAS Number> (750)
78628-80-5

>  <Plate Location> (750)
b3

>  <Rack Number> (750)
L1700-12

$$$$
Vardenafil hydrochloride trihydrate.cdx
csChFnd80/04011511122D

 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
   12.1222    4.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    5.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1849    6.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.3304    1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   15.7553    5.5368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7553    6.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    7.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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   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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  2  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  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
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 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> (751)
751

>  <Formula> (751)
C23H39ClN6O7S

>  <MolWeight> (751)
579.10976

>  <Item Name> (751)
Vardenafil Hydrochloride Trihydrate (Vivanza

>  <Catalog Number> (751)
S2515

>  <Synonyms> (751)
Levitra 

>  <Target> (751)
PDE

>  <Form> (751)
Dydrate

>  <URL> (751)
http://www.selleckchem.com/products/Vardenafil(Vivanza).html

>  <CAS Number> (751)
224785-90-4

>  <Plate Location> (751)
h9

>  <Rack Number> (751)
L1700-11

$$$$
Maprotiline hydrochloride.cdx
csChFnd80/04011511122D

 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
    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
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    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
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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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  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
 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> (752)
752

>  <Formula> (752)
C20H24ClN

>  <MolWeight> (752)
313.86426

>  <Item Name> (752)
Maprotiline hydrochloride

>  <Catalog Number> (752)
S2517

>  <Synonyms> (752)
Deprilept, Ludiomil, Psymion

>  <Target> (752)
Reuptake inhibitor

>  <Form> (752)
Hydrochloride

>  <URL> (752)
http://www.selleckchem.com/products/Maprotiline-hydrochloride.html

>  <CAS Number> (752)
10347-81-6

>  <Plate Location> (752)
b10

>  <Rack Number> (752)
L1700-11

$$$$
Naphazoline hydrochloride.cdx
csChFnd80/04011511122D

 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
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    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
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  3  4  2  0  0  0  0
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 10  1  1  0  0  0  0
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 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> (753)
753

>  <Formula> (753)
C14H15ClN2

>  <MolWeight> (753)
246.7353

>  <Item Name> (753)
Naphazoline hydrochloride (Naphcon)

>  <Catalog Number> (753)
S2519

>  <Synonyms> (753)
Naphcon, Albalon

>  <Target> (753)
Adrenergic Receptor

>  <Form> (753)
Hydrochloride

>  <URL> (753)
http://www.selleckchem.com/products/Naphazoline-hydrochloride-Naphcon.html

>  <CAS Number> (753)
550-99-2

>  <Plate Location> (753)
c10

>  <Rack Number> (753)
L1700-11

$$$$
Epinephrine bitartrate.cdx
csChFnd80/04011511122D

 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> (754)
754

>  <Formula> (754)
C13H19NO9

>  <MolWeight> (754)
333.29126

>  <Item Name> (754)
Epinephrine bitartrate (Adrenalinium)

>  <Catalog Number> (754)
S2521

>  <Synonyms> (754)
D02149, Adrenalinetartrate, Adrenaline tatrate, Epinephrine Acid Tartrate 

>  <Target> (754)
Adrenergic Receptor

>  <Form> (754)
Bitartrate

>  <URL> (754)
http://www.selleckchem.com/products/Epinephrine-bitartrate-Adrenalinium.html

>  <CAS Number> (754)
51-42-3

>  <Plate Location> (754)
d10

>  <Rack Number> (754)
L1700-11

$$$$
L-Adrenaline.cdx
csChFnd80/04011511122D

 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> (755)
755

>  <Formula> (755)
C9H13NO3

>  <MolWeight> (755)
183.20442

>  <Item Name> (755)
L-Adrenaline (Epinephrine)

>  <Catalog Number> (755)
S2522

>  <Synonyms> (755)
Adrenaline, d-Adrenaline, Adnephrine, Adrenalin, Chelafrin, Epinefrina, Epinephran, Epirenan, Exadri 

>  <Target> (755)
Others

>  <Form> (755)
Free Base

>  <URL> (755)
http://www.selleckchem.com/products/L-Adrenaline-Epinephrine.html

>  <CAS Number> (755)
51-43-4

>  <Plate Location> (755)
e10

>  <Rack Number> (755)
L1700-11

$$$$
Phenytoin sodium.cdx
csChFnd80/04011511122D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.3373    4.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741    2.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7067    4.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7435    5.1871    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.0750    4.7545    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.2840    0.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2951    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0097    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  3  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  9 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  9  1  0  0  0  0
M  END
>  <Mol_ID> (756)
756

>  <Formula> (756)
C15H11N2NaO2

>  <MolWeight> (756)
274.24981

>  <Item Name> (756)
Phenytoin sodium (Dilantin)

>  <Catalog Number> (756)
S2524

>  <Synonyms> (756)
Aleviatin, Diphenylhydantoin sodium, Eptoin, Phenytoin soluble, Prompt; Phenytek 

>  <Target> (756)
Sodium Channel

>  <Form> (756)
Sodium Salt

>  <URL> (756)
http://www.selleckchem.com/products/Phenytoin-sodium-Dilantin.html

>  <CAS Number> (756)
630-93-3

>  <Plate Location> (756)
f10

>  <Rack Number> (756)
L1700-11

$$$$
Phenytoin.cdx
csChFnd80/04011511122D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.1249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575    4.1353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9922    4.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6449    6.5955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6654    3.7042    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
    3.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  5  7  2  0  0  0  0
  1  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
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  8 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
M  END
>  <Mol_ID> (757)
757

>  <Formula> (757)
C15H12N2O2

>  <MolWeight> (757)
252.26798

>  <Item Name> (757)
Phenytoin (Lepitoin)

>  <Catalog Number> (757)
S2525

>  <Synonyms> (757)
Di-Hydan, Dihycon, Dilabid, Diphedan, Diphenat, Diphenylan, Diphenylhydantoin, Hydantol, Lehydan, NS

>  <Target> (757)
Sodium Channel

>  <Form> (757)
Free Base

>  <URL> (757)
http://www.selleckchem.com/products/Phenytoin-Lepitoin.html

>  <CAS Number> (757)
57-41-0

>  <Plate Location> (757)
g10

>  <Rack Number> (757)
L1700-11

$$$$
Methacycline hydrochloride.cdx
csChFnd80/04011511122D

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.8771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.4771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    5.8771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.5771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.5771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.4771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.5771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.2722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.9722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.2722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.9722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 17  1  0  0  0  0
  3 22  1  0  0  0  0
 10 23  2  0  0  0  0
  7 24  2  0  0  0  0
 15 25  2  0  0  0  0
 19 26  2  0  0  0  0
  9 27  1  6  0  0  0
 14 28  1  6  0  0  0
 13 29  1  6  0  0  0
 18 30  1  6  0  0  0
 12 31  1  6  0  0  0
 11 32  1  0  0  0  0
  7  8  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (758)
758

>  <Formula> (758)
C22H23ClN2O8

>  <MolWeight> (758)
478.87962

>  <Item Name> (758)
Methacycline hydrochloride (Physiomycine)

>  <Catalog Number> (758)
S2527

>  <Synonyms> (758)
Adriamicina, Ciclobiotic, Germiciclin, Londomycin, Metacyclin hydrochloride, Metadomus, Methacycline 

>  <Target> (758)
Others

>  <Form> (758)
Hydrochloride 

>  <URL> (758)
http://www.selleckchem.com/products/Methacycline-hydrochloride-Physiomycine.html

>  <CAS Number> (758)
3963-95-9

>  <Plate Location> (758)
a11

>  <Rack Number> (758)
L1700-11

$$$$
Ciclopirox.cdx
csChFnd80/04011511122D

 15 16  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
    4.8455    2.0976    0.0000 N   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 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
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    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
  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  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 11 13  1  0  0  0  0
  9 14  2  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (759)
759

>  <Formula> (759)
C12H17NO2

>  <MolWeight> (759)
207.26888

>  <Item Name> (759)
Ciclopirox (Penlac)

>  <Catalog Number> (759)
S2528

>  <Synonyms> (759)
Batrafen, Loprox, Mycoster, Stieprox, HOE 296b 

>  <Target> (759)
Others

>  <Form> (759)
Free Base

>  <URL> (759)
http://www.selleckchem.com/products/Ciclopirox-Penlac.html

>  <CAS Number> (759)
29342-05-0

>  <Plate Location> (759)
b11

>  <Rack Number> (759)
L1700-11

$$$$
Dopamine hydrochloride.cdx
csChFnd80/04011511122D

 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> (760)
760

>  <Formula> (760)
C8H12ClNO2

>  <MolWeight> (760)
189.63938

>  <Item Name> (760)
Dopamine hydrochloride (Inotropin)

>  <Catalog Number> (760)
S2529

>  <Synonyms> (760)
ASL 279, Cardiosteril, Dopamine Fresenius, Dopastat, Intropin, Rascordin, Revivan, Tensamin 

>  <Target> (760)
Dopamine Receptor

>  <Form> (760)
Hydrochloride 

>  <URL> (760)
http://www.selleckchem.com/products/Dopamine-hydrochloride-Inotropin.html

>  <CAS Number> (760)
62-31-7

>  <Plate Location> (760)
c11

>  <Rack Number> (760)
L1700-11

$$$$
Asaraldehyde.cdx
csChFnd80/04011511122D

 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> (761)
761

>  <Formula> (761)
C10H12O4

>  <MolWeight> (761)
196.19988

>  <Item Name> (761)
Asaraldehyde (Asaronaldehyde)

>  <Catalog Number> (761)
S2531

>  <Synonyms> (761)
Asaronaldehyde, Asarylaldehyde, NSC 89299 

>  <Target> (761)
COX

>  <Form> (761)
Free Base

>  <URL> (761)
http://www.selleckchem.com/products/Asaraldehyde-Asaronaldehyde.html

>  <CAS Number> (761)
4460-86-0 

>  <Plate Location> (761)
d11

>  <Rack Number> (761)
L1700-11

$$$$
L-Ascorbyl 6-palmitate.cdx
csChFnd80/04011511122D

 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> (762)
762

>  <Formula> (762)
C22H38O7

>  <MolWeight> (762)
414.53292

>  <Item Name> (762)
L-Ascorbyl 6-palmitate

>  <Catalog Number> (762)
S2532

>  <Synonyms> (762)
Ascorbic palmitate, Ascorbyl monopalmitate, Ascorbyl palmitate, E 304, Grindox 562, L-Ascorbyl 6-pal 

>  <Target> (762)
Others

>  <Form> (762)
Free Base

>  <URL> (762)
http://www.selleckchem.com/products/L-Ascorbyl-6-palmitate.html

>  <CAS Number> (762)
137-66-6

>  <Plate Location> (762)
e11

>  <Rack Number> (762)
L1700-11

$$$$
Ritodrine hydrochloride.cdx
csChFnd80/04011511122D

 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> (763)
763

>  <Formula> (763)
C17H22ClNO3

>  <MolWeight> (763)
323.81448

>  <Item Name> (763)
Ritodrine hydrochloride (Yutopar)

>  <Catalog Number> (763)
S2533

>  <Synonyms> (763)
DU 21220; Miolene; NSC 291565

>  <Target> (763)
Adrenergic Receptor

>  <Form> (763)
Hydrochloride

>  <URL> (763)
www.selleckchem.com/products/Ritodrine-hydrochloride-Yutopar.html

>  <CAS Number> (763)
23239-51-2

>  <Plate Location> (763)
f11

>  <Rack Number> (763)
L1700-11

$$$$
Isoconazole nitrate.cdx
csChFnd80/04011511122D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.8350    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    6.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.9277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    8.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    9.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653   10.6111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959   10.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.2325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1078    1.2082    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8054    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8054    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7127    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 11 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 11  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (764)
764

>  <Formula> (764)
C18H15Cl4N3O4

>  <MolWeight> (764)
479.1414

>  <Item Name> (764)
Isoconazole nitrate (Travogen)

>  <Catalog Number> (764)
S2534

>  <Synonyms> (764)
Adestan G 100, Fazol, Gyno-Travogen, R 15454, Travogyn 

>  <Target> (764)
Others

>  <Form> (764)
Nitrate 

>  <URL> (764)
http://www.selleckchem.com/products/Isoconazole-nitrate-Travogen.html

>  <CAS Number> (764)
24168-96-5

>  <Plate Location> (764)
g11

>  <Rack Number> (764)
L1700-11

$$$$
Econazole nitrate.cdx
csChFnd80/04011511122D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    4.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    5.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653    6.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959    6.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7489    3.6750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.4465    4.8832    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.4465    2.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3537    3.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (765)
765

>  <Formula> (765)
C18H16Cl3N3O4

>  <MolWeight> (765)
444.69634

>  <Item Name> (765)
Econazole nitrate (Spectazole)

>  <Catalog Number> (765)
S2535

>  <Synonyms> (765)
Ecostatin, Epi-Pevaryl, Gyno-Pevaryl, Gynoryl, Ifenec, Micogin, NSC 243115, Palavale, Pevaryl 

>  <Target> (765)
Others

>  <Form> (765)
Nitrate

>  <URL> (765)
http://www.selleckchem.com/products/Econazole-nitrate-Spectazole.html

>  <CAS Number> (765)
24169-02-6

>  <Plate Location> (765)
h11

>  <Rack Number> (765)
L1700-11

$$$$
Miconazole.cdx
csChFnd80/04011511122D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.4854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.6903    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
    6.0538    5.5903    0.0000 C   0  0  3  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    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5879    0.0000 N   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
    4.8413    2.0951    0.0000 C   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
    8.6208    4.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9902    3.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    5.1169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7534    6.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    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
  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
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 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 12  1  0  0  0  0
 14 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 14  1  0  0  0  0
 15 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
>  <Mol_ID> (766)
766

>  <Formula> (766)
C18H14Cl4N2O

>  <MolWeight> (766)
416.12856

>  <Item Name> (766)
Miconazole (Monistat)

>  <Catalog Number> (766)
S2536

>  <Synonyms> (766)
Daktarin IV, MJR 1762, Monistat IV, NSC 170986, R 18134, Zimybase 

>  <Target> (766)
Others

>  <Form> (766)
Free Base

>  <URL> (766)
http://www.selleckchem.com/products/Miconazole-Monistat.html

>  <CAS Number> (766)
22916-47-8

>  <Plate Location> (766)
a1

>  <Rack Number> (766)
L1700-12

$$$$
Secnidazole.cdx
csChFnd80/04011511122D

 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> (767)
767

>  <Formula> (767)
C7H11N3O3

>  <MolWeight> (767)
185.18054

>  <Item Name> (767)
Secnidazole (Flagentyl)

>  <Catalog Number> (767)
S2537

>  <Synonyms> (767)
PM 185184, RP 14539, Sindose, Secnil

>  <Target> (767)
Others

>  <Form> (767)
Free Base

>  <URL> (767)
http://www.selleckchem.com/products/Secnidazole-Flagentyl.html

>  <CAS Number> (767)
3366-95-8

>  <Plate Location> (767)
b1

>  <Rack Number> (767)
L1700-12

$$$$
untitled.cdx
csChFnd80/04011511122D

 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
    8.3903    2.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2132    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5447    1.7595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5447    3.1595    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2132    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7821    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6733    3.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9479    3.4121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0436    3.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7412    4.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7412    2.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1335    4.7666    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.4246    6.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2122    6.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1718    5.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6991    6.7035    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 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> (768)
768

>  <Formula> (768)
C19H18ClN3O5S

>  <MolWeight> (768)
435.88132

>  <Item Name> (768)
Rivaroxaban (Xarelto)

>  <Catalog Number> (768)
S3002

>  <Synonyms> (768)
N/A 

>  <Target> (768)
Factor Xa

>  <Form> (768)
Free Base

>  <URL> (768)
http://www.selleckchem.com/products/Rivaroxaban.html

>  <CAS Number> (768)
366789-02-8

>  <Plate Location> (768)
c1

>  <Rack Number> (768)
L1700-15

$$$$
fty720.cdx
csChFnd80/04011511122D

 23 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8712    3.0198    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 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> (769)
769

>  <Formula> (769)
C19H34ClNO2

>  <MolWeight> (769)
343.93176

>  <Item Name> (769)
Fingolimod (FTY720)

>  <Catalog Number> (769)
S5002

>  <Synonyms> (769)
Gilenia 

>  <Target> (769)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (769)
Hydrochloride

>  <URL> (769)
http://www.selleckchem.com/products/FTY720.html

>  <Plate Location> (769)
h1

>  <Rack Number> (769)
L1700-19

$$$$
Sitagliptin phosphate monohydrate.cdx
csChFnd80/04011511122D

 35 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (770)
770

>  <Formula> (770)
C16H20F6N5O6P

>  <MolWeight> (770)
523.3240802

>  <Item Name> (770)
Sitagliptin phosphate monohydrate

>  <Catalog Number> (770)
S4002

>  <Synonyms> (770)
Januvia

>  <Target> (770)
DPP-4

>  <Form> (770)
Phosphate

>  <URL> (770)
http://www.selleckchem.com/products/Sitagliptin.html

>  <CAS Number> (770)
654671-77-9

>  <Plate Location> (770)
d4

>  <Rack Number> (770)
L1700-16

$$$$
Nxy-059.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (771)
771

>  <Formula> (771)
C11H13NNa2O7S2

>  <MolWeight> (771)
381.33296

>  <Item Name> (771)
NXY-059 (Cerovive)

>  <Catalog Number> (771)
S6002

>  <Synonyms> (771)
Disufenton sodium

>  <Target> (771)
Others

>  <Form> (771)
Free Base

>  <URL> (771)
http://www.selleckchem.com/products/NXY-059.html

>  <CAS Number> (771)
168021-79-2

>  <Plate Location> (771)
b2

>  <Rack Number> (771)
L1700-19

$$$$
untitled.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (772)
772

>  <Formula> (772)
C15H9FN2O3

>  <MolWeight> (772)
284.2419632

>  <Item Name> (772)
PTC124 (Ataluren)

>  <Catalog Number> (772)
S6003

>  <Synonyms> (772)
N/A 

>  <Target> (772)
Others

>  <Form> (772)
Free Base

>  <URL> (772)
http://www.selleckchem.com/products/PTC124.html

>  <CAS Number> (772)
775304-57-9

>  <Plate Location> (772)
c2

>  <Rack Number> (772)
L1700-19

$$$$
untitled.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (773)
773

>  <Formula> (773)
C19H12F4N4O2

>  <MolWeight> (773)
404.3177928

>  <Item Name> (773)
VX-702

>  <Catalog Number> (773)
S6005

>  <Synonyms> (773)
N/A

>  <Target> (773)
p38 MAPK 

>  <Form> (773)
Free Base

>  <URL> (773)
http://www.selleckchem.com/products/VX-702.html

>  <CAS Number> (773)
745833-23-2

>  <Plate Location> (773)
d2

>  <Rack Number> (773)
L1700-19

$$$$
CP-690550 citrate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (774)
774

>  <Formula> (774)
C22H28N6O8

>  <MolWeight> (774)
504.49312

>  <Item Name> (774)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (774)
S5001

>  <Synonyms> (774)
N/A 

>  <Target> (774)
JAK

>  <Form> (774)
Citrate

>  <URL> (774)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (774)
540737-29-9

>  <Plate Location> (774)
g1

>  <Rack Number> (774)
L1700-19

$$$$
Toremifene Citrate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (775)
775

>  <Formula> (775)
C32H36ClNO8

>  <MolWeight> (775)
598.08314

>  <Item Name> (775)
Toremifene Citrate (Fareston, Acapodene)

>  <Catalog Number> (775)
S1776

>  <Synonyms> (775)
Fareston, Acapodene

>  <Target> (775)
Others

>  <Form> (775)
Citrate 

>  <URL> (775)
www.selleckchem.com/products/Toremifene-Citrate(Fareston).html

>  <CAS Number> (775)
89778-27-8

>  <Plate Location> (775)
b10

>  <Rack Number> (775)
L1700-06

$$$$
CAL-1011.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (776)
776

>  <Formula> (776)
C22H18FN7O

>  <MolWeight> (776)
415.4230232

>  <Item Name> (776)
CAL-101 (GS-1101)

>  <Catalog Number> (776)
S2226

>  <Synonyms> (776)
CAL101

>  <Target> (776)
PI3K 

>  <Form> (776)
Free Base

>  <URL> (776)
http://www.selleckchem.com/products/CAL-101.html

>  <CAS Number> (776)
870281-82-6

>  <Plate Location> (776)
g6

>  <Rack Number> (776)
L1700-09

$$$$
BI 6727.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (777)
777

>  <Formula> (777)
C34H50N8O3

>  <MolWeight> (777)
618.8126

>  <Item Name> (777)
BI6727 (Volasertib)

>  <Catalog Number> (777)
S2235

>  <Synonyms> (777)
N/A 

>  <Target> (777)
PLK 

>  <Form> (777)
Free Base

>  <URL> (777)
http://www.selleckchem.com/products/BI6727-Volasertib.html

>  <CAS Number> (777)
755038-65-4

>  <Plate Location> (777)
g7

>  <Rack Number> (777)
L1700-09

$$$$
Esomeprazole sodium.cdx
csChFnd80/04011511122D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (778)
778

>  <Formula> (778)
C17H18N3NaO3S

>  <MolWeight> (778)
367.39789

>  <Item Name> (778)
Esomeprazole sodium (Nexium)

>  <Catalog Number> (778)
S2233

>  <Synonyms> (778)
N/A 

>  <Target> (778)
ATPase

>  <Form> (778)
Free Base

>  <URL> (778)
http://www.selleckchem.com/products/Esomeprazole-sodium-Nexium-I.V..html

>  <CAS Number> (778)
161796-78-7

>  <Plate Location> (778)
f7

>  <Rack Number> (778)
L1700-09

$$$$
Ketanserin.cdx
csChFnd80/04011511122D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (779)
779

>  <Formula> (779)
C22H22FN3O3

>  <MolWeight> (779)
395.4267832

>  <Item Name> (779)
Ketanserin (Vulketan Gel)

>  <Catalog Number> (779)
S2232

>  <Synonyms> (779)
R 41468, Vulketan Gel

>  <Target> (779)
5-HT Receptor

>  <Form> (779)
Free Base

>  <URL> (779)
http://www.selleckchem.com/products/Ketanserin-Vulketan-Gel.html

>  <CAS Number> (779)
74050-98-9

>  <Plate Location> (779)
e7

>  <Rack Number> (779)
L1700-09

$$$$
PIK-294.cdx
csChFnd80/04011511122D

 37 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (780)
780

>  <Formula> (780)
C28H23N7O2

>  <MolWeight> (780)
489.52792

>  <Item Name> (780)
PIK-294

>  <Catalog Number> (780)
S2227

>  <Synonyms> (780)
N/A 

>  <Target> (780)
PI3K 

>  <Form> (780)
Free Base

>  <URL> (780)
http://www.selleckchem.com/products/PIK-294.html

>  <CAS Number> (780)
900185-02-6

>  <Plate Location> (780)
h6

>  <Rack Number> (780)
L1700-09

$$$$
TAME.cdx
csChFnd80/04011511122D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (781)
781

>  <Formula> (781)
C14H22N4O4S

>  <MolWeight> (781)
342.41388

>  <Item Name> (781)
TAME

>  <Catalog Number> (781)
S2225 

>  <Synonyms> (781)
N/A

>  <Target> (781)
APC

>  <Form> (781)
Free Base

>  <URL> (781)
http://www.selleckchem.com/products/TAME.html

>  <CAS Number> (781)
901-47-3

>  <Plate Location> (781)
f6

>  <Rack Number> (781)
L1700-09

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/04011511122D

 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
   12.6146    5.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2097    5.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3146    2.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6146    0.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7146    2.1502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4146    3.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8073    3.3668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4747    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7399    0.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    5.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    7.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 12 13  1  0  0  0  0
 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
 21 22  1  0  0  0  0
 22  4  1  0  0  0  0
 19 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> (782)
782

>  <Formula> (782)
C20H16ClN5O3

>  <MolWeight> (782)
409.82574

>  <Item Name> (782)
Telatinib (BAY 57-9352)

>  <Catalog Number> (782)
S2231

>  <Synonyms> (782)
N/A 

>  <Target> (782)
VEGFR, PDGFR, c-Kit

>  <Form> (782)
Free Base

>  <URL> (782)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

>  <CAS Number> (782)
332012-40-5

>  <Plate Location> (782)
d7

>  <Rack Number> (782)
L1700-09

$$$$
Neohesperidin.cdx
csChFnd80/04011511122D

 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
    8.6143    5.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8267    5.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0392    5.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0392    3.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8267    3.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    7.4061    5.9255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3054    5.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8847    9.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6723   10.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    5.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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  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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 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 19  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 28  1  0  0  0  0
 28 23  1  0  0  0  0
 27 29  1  1  0  0  0
 25 30  1  1  0  0  0
 28 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 35 38  1  1  0  0  0
 26 39  1  6  0  0  0
 34 40  1  6  0  0  0
 36 41  1  6  0  0  0
 37 42  1  6  0  0  0
 30 43  1  0  0  0  0
M  END
>  <Mol_ID> (783)
783

>  <Formula> (783)
C28H34O15

>  <MolWeight> (783)
610.56056

>  <Item Name> (783)
Neohesperidin

>  <Catalog Number> (783)
S2332

>  <Synonyms> (783)
N/A

>  <Target> (783)
Others

>  <Form> (783)
Free Base

>  <URL> (783)
http://www.selleckchem.com/products/Neohesperidin.html

>  <CAS Number> (783)
13241-33-3 

>  <Plate Location> (783)
h4

>  <Rack Number> (783)
L1700-10

$$$$
Clomipramine hydrochloride.cdx
csChFnd80/04011511122D

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.6481    4.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3868    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  1  0  0  0  0
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 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
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 14 15  1  0  0  0  0
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 16  8  1  0  0  0  0
 10 17  1  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
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (784)
784

>  <Formula> (784)
C19H24Cl2N2

>  <MolWeight> (784)
351.31326

>  <Item Name> (784)
Clomipramine hydrochloride (Anafranil)

>  <Catalog Number> (784)
S2541

>  <Synonyms> (784)
Anafranil

>  <Target> (784)
5-HT Receptor

>  <Form> (784)
Hydrochloride

>  <URL> (784)
http://www.selleckchem.com/products/Clomipramine-hydrochloride-Anafranil.html

>  <CAS Number> (784)
17321-77-6

>  <Plate Location> (784)
d1

>  <Rack Number> (784)
L1700-12

$$$$
Ceftiofur hydrochloride.cdx
csChFnd80/04011511122D

 37 39  0  0  0  0  0  0  0  0999 V2000
    8.6011    4.9146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (785)
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>  <Item Name> (785)
Ceftiofur hydrochloride 

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S2543

>  <Synonyms> (785)
N/A

>  <Target> (785)
Others

>  <Form> (785)
Hydrochloride 

>  <URL> (785)
http://www.selleckchem.com/products/Ceftiofur-hydrochloride.html

>  <CAS Number> (785)
103980-44-5

>  <Plate Location> (785)
f1

>  <Rack Number> (785)
L1700-12

$$$$
Acetanilide.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (786)
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C8H9NO

>  <MolWeight> (786)
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Acetanilide (Antifebrin)

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S2538

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N-phenylacetamide, Acetanil, Acetamidobenzene, Acetylaniline, NSC 7636 

>  <Target> (786)
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>  <Form> (786)
Free Base

>  <URL> (786)
http://www.selleckchem.com/products/Acetanilide-Antifebrin.html

>  <CAS Number> (786)
103-84-4

>  <Plate Location> (786)
c1

>  <Rack Number> (786)
L1700-12

$$$$
Phenformin hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (787)
787

>  <Formula> (787)
C10H16ClN5

>  <MolWeight> (787)
241.72054

>  <Item Name> (787)
Phenformin hydrochloride 

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S2542

>  <Synonyms> (787)
N/A

>  <Target> (787)
AMPK

>  <Form> (787)
Hydrochloride 

>  <URL> (787)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

>  <CAS Number> (787)
834-28-6

>  <Plate Location> (787)
e1

>  <Rack Number> (787)
L1700-12

$$$$
AZD5438.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (788)
788

>  <Formula> (788)
C18H21N5O2S

>  <MolWeight> (788)
371.45664

>  <Item Name> (788)
AZD5438

>  <Catalog Number> (788)
S2621

>  <Synonyms> (788)
N/A 

>  <Target> (788)
CDK

>  <Form> (788)
Free Base

>  <URL> (788)
http://www.selleckchem.com/products/AZD5438.html

>  <CAS Number> (788)
602306-29-6 

>  <Plate Location> (788)
b8

>  <Rack Number> (788)
L1700-12

$$$$
CK-1827452.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (789)
789

>  <Formula> (789)
C20H24FN5O3

>  <MolWeight> (789)
401.4346632

>  <Item Name> (789)
Omecamtiv mecarbil (CK-1827452)

>  <Catalog Number> (789)
S2623

>  <Synonyms> (789)
CK-1827452, CK1827452 

>  <Target> (789)
ATPase

>  <Form> (789)
Free Base

>  <URL> (789)
http://www.selleckchem.com/products/Omecamtiv-mecarbil-CK-1827452.html

>  <CAS Number> (789)
873697-71-3

>  <Plate Location> (789)
d8

>  <Rack Number> (789)
L1700-12

$$$$
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csChFnd80/04011511122D

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 26 31  1  1  0  0  0
 31 32  2  0  0  0  0
 25 33  1  0  0  0  0
 25 34  1  0  0  0  0
M  END
>  <Mol_ID> (790)
790

>  <Formula> (790)
C26H41N3O5

>  <MolWeight> (790)
475.62084

>  <Item Name> (790)
MG-132

>  <Catalog Number> (790)
S2619

>  <Synonyms> (790)
N/A 

>  <Target> (790)
Proteasome

>  <Form> (790)
Free Base

>  <URL> (790)
http://www.selleckchem.com/products/MG132.html

>  <CAS Number> (790)
133407-82-6 

>  <Plate Location> (790)
h7

>  <Rack Number> (790)
L1700-12

$$$$
OSI-027.cdx
csChFnd80/04011511122D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.1861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  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  2  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12  7  1  1  0  0  0
 11 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 11  2  0  0  0  0
 14 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
 12 21  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 12  1  0  0  0  0
 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  6  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (791)
791

>  <Formula> (791)
C21H22N6O3

>  <MolWeight> (791)
406.43778

>  <Item Name> (791)
OSI-027

>  <Catalog Number> (791)
S2624

>  <Synonyms> (791)
N/A 

>  <Target> (791)
mTOR

>  <Form> (791)
Free Base

>  <URL> (791)
http://www.selleckchem.com/products/OSI027.html

>  <CAS Number> (791)
936890-98-1

>  <Plate Location> (791)
e8

>  <Rack Number> (791)
L1700-12

$$$$
PP121.cdx
csChFnd80/04011511122D

 24 28  0  0  0  0  0  0  0  0999 V2000
    7.1581    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5830    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5830    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4247    4.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1326    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5199    5.4231    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
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
  1 11  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 13  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (792)
792

>  <Formula> (792)
C17H17N7

>  <MolWeight> (792)
319.36378

>  <Item Name> (792)
PP-121

>  <Catalog Number> (792)
S2622

>  <Synonyms> (792)
N/A

>  <Target> (792)
DNA-PK, mTOR, PDGF

>  <Form> (792)
Free Base

>  <URL> (792)
http://www.selleckchem.com/products/PP121.html

>  <CAS Number> (792)
1092788-83-4

>  <Plate Location> (792)
c8

>  <Rack Number> (792)
L1700-12

$$$$
Trospium chloride.cdx
csChFnd80/04011511122D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.7530   10.2591    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    1.3404    6.9562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0245    8.2170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5669    9.7107    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2603    7.5598    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
  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
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  1  0  0  0
  5 11  1  6  0  0  0
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 23 17  1  0  0  0  0
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 28 16  1  0  0  0  0
  6 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  6  1  0  0  0  0
M  END
>  <Mol_ID> (793)
793

>  <Formula> (793)
C25H30ClNO3

>  <MolWeight> (793)
427.9636

>  <Item Name> (793)
Trospium chloride (Sanctura)

>  <Catalog Number> (793)
S2549

>  <Synonyms> (793)
Sanctura

>  <Target> (793)
AChR

>  <Form> (793)
Chloride

>  <URL> (793)
http://www.selleckchem.com/products/Trospium-chloride-Sanctura.html

>  <CAS Number> (793)
10405-02-4

>  <Plate Location> (793)
b2

>  <Rack Number> (793)
L1700-12

$$$$
Tolterodine tartrate.cdx
csChFnd80/04011511122D

 34 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6242    5.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (794)
794

>  <Formula> (794)
C26H37NO7

>  <MolWeight> (794)
475.57448

>  <Item Name> (794)
Tolterodine tartrate (Detrol LA)

>  <Catalog Number> (794)
S2550

>  <Synonyms> (794)
Detrol LA, Kabi-2234, PNU-200583E 

>  <Target> (794)
AChR

>  <Form> (794)
Tartrate 

>  <URL> (794)
http://www.selleckchem.com/products/Tolterodine-tartrate-Detrol-LA.html

>  <CAS Number> (794)
124937-52-6

>  <Plate Location> (794)
c2

>  <Rack Number> (794)
L1700-12

$$$$
WP1130.cdx
csChFnd80/04011511122D

 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
    1.2124    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4965    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2706    3.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    2.7977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2706    4.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6914    3.4965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9018    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6914    4.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9018    5.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9018    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3267    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3267    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1143    3.4977    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
  5  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
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 15 13  1  1  0  0  0
 15 16  1  0  0  0  0
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 16 20  2  0  0  0  0
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 23 24  2  0  0  0  0
 24 16  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (795)
795

>  <Formula> (795)
C19H18BrN3O

>  <MolWeight> (795)
384.26972

>  <Item Name> (795)
WP1130

>  <Catalog Number> (795)
S2243

>  <Synonyms> (795)
N/A

>  <Target> (795)
DUB, Bcr-Abl

>  <Form> (795)
Free Base

>  <URL> (795)
http://www.selleckchem.com/products/WP1130.html

>  <CAS Number> (795)
856243-80-6

>  <Plate Location> (795)
c8

>  <Rack Number> (795)
L1700-09

$$$$
Clomifene citrate.cdx
csChFnd80/04011511122D

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    1.2124    6.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3158    7.6061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    8.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5240    5.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6330    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0495    1.3523    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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 10  5  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
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 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 10 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 31 38  2  0  0  0  0
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 39 41  1  0  0  0  0
 33 42  1  0  0  0  0
M  END
>  <Mol_ID> (796)
796

>  <Formula> (796)
C32H36ClNO8

>  <MolWeight> (796)
598.08314

>  <Item Name> (796)
Clomifene citrate (Serophene)

>  <Catalog Number> (796)
S2561

>  <Synonyms> (796)
Clomid, Serophene, Milophene

>  <Target> (796)
Estrogen/progestogen Receptor

>  <Form> (796)
Citrate

>  <URL> (796)
http://www.selleckchem.com/products/Clomifene-citrate-Serophene.html

>  <CAS Number> (796)
50-41-9

>  <Plate Location> (796)
d3

>  <Rack Number> (796)
L1700-12

$$$$
Cloxacillin sodium.cdx
csChFnd80/04011511122D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.9743    5.3667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9743    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3743    3.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3743    5.3667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7058    3.5340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5287    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7058    5.7993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7619    6.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4 31  1  6  0  0  0
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M  END
>  <Mol_ID> (797)
797

>  <Formula> (797)
C19H19ClN3NaO6S

>  <MolWeight> (797)
475.87843

>  <Item Name> (797)
Cloxacillin sodium

>  <Catalog Number> (797)
S2564

>  <Synonyms> (797)
Cloxapen, Cloxacap, Orbenin

>  <Target> (797)
Others

>  <Form> (797)
Sodium Salt

>  <URL> (797)
http://www.selleckchem.com/products/Cloxacillin-sodium-Cloxacap.html

>  <CAS Number> (797)
7081-44-9

>  <Plate Location> (797)
e3

>  <Rack Number> (797)
L1700-12

$$$$
erythromycin.cdx
csChFnd80/04011511122D

 52 54  0  0  0  0  0  0  0  0999 V2000
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   11.7627    5.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4165    5.6013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7788    6.9536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7923    7.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1264    7.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4626    4.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    3.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3450    6.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2051    7.9388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1035    5.6117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9932    2.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6454    1.3598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1932    3.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3521    3.7835    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  1  0  0  0
  4  7  1  1  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
 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
  8 17  1  1  0  0  0
  8 18  1  6  0  0  0
  9 19  1  6  0  0  0
 19 20  1  0  0  0  0
 15 21  1  6  0  0  0
 14 22  1  6  0  0  0
 16 23  1  6  0  0  0
  2 24  1  6  0  0  0
  3 25  2  0  0  0  0
 12 26  1  1  0  0  0
 22 27  1  0  0  0  0
 16 28  1  0  0  0  0
 28  1  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 27  1  0  0  0  0
 34 35  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 23 35  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 37 43  1  1  0  0  0
 28 45  1  6  0  0  0
 28 46  1  1  0  0  0
 38 37  1  0  0  0  0
 36 37  1  0  0  0  0
 35 36  1  0  0  0  0
 27 29  1  1  0  0  0
 39 40  1  6  0  0  0
 34 47  1  6  0  0  0
 30 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 48  1  1  0  0  0
 32 44  1  0  0  0  0
 32 49  1  6  0  0  0
 31 50  1  1  0  0  0
 44 51  1  0  0  0  0
 35 52  1  1  0  0  0
M  END
>  <Mol_ID> (798)
798

>  <Formula> (798)
C37H67NO13

>  <MolWeight> (798)
733.92678

>  <Item Name> (798)
Erythromycin

>  <Catalog Number> (798)
S1635

>  <Synonyms> (798)
E-Mycin

>  <Target> (798)
Others

>  <Form> (798)
Free Base

>  <URL> (798)
http://www.selleckchem.com/products/Erythromycin(E-Mycin).ht

>  <CAS Number> (798)
114-07-8

>  <Plate Location> (798)
c10

>  <Rack Number> (798)
L1700-05

$$$$
Niacin(acid).cdx
csChFnd80/04011511122D

  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> (799)
799

>  <Formula> (799)
C6H5NO2

>  <MolWeight> (799)
123.1094

>  <Item Name> (799)
Niacin (Nicotinic acid)

>  <Catalog Number> (799)
S1744 

>  <Synonyms> (799)
Vitamin B3, Niacinamide, Nicotinic acid

>  <Target> (799)
Others

>  <Form> (799)
Free Base

>  <URL> (799)
http://www.selleckchem.com/products/Niacin(Nicotinic-acid).html

>  <CAS Number> (799)
59-67-6

>  <Plate Location> (799)
c8

>  <Rack Number> (799)
L1700-06

$$$$
Cortisone acetate.cdx
csChFnd80/04011511122D

 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> (800)
800

>  <Formula> (800)
C23H30O6

>  <MolWeight> (800)
402.4807

>  <Item Name> (800)
Cortisone acetate (Cortone)

>  <Catalog Number> (800)
S2559

>  <Synonyms> (800)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (800)
Others

>  <Form> (800)
Free Base

>  <URL> (800)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

>  <CAS Number> (800)
50-04-4

>  <Plate Location> (800)
c3

>  <Rack Number> (800)
L1700-12

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/04011511122D

 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> (801)
801

>  <Formula> (801)
C11H18ClNO3

>  <MolWeight> (801)
247.71852

>  <Item Name> (801)
Isoprenaline hydrochloride

>  <Catalog Number> (801)
S2566

>  <Synonyms> (801)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (801)
Adrenergic Receptor

>  <Form> (801)
Hydrochloride

>  <URL> (801)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

>  <CAS Number> (801)
51-30-9

>  <Plate Location> (801)
g3

>  <Rack Number> (801)
L1700-12

$$$$
Rosiglitazone.cdx
csChFnd80/04011511122D

 25 27  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 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 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
    3.6331    4.1927    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
   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  3  0  0  0  0  0  0  0  0  0
   13.6697    2.8453    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0678    2.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5695    4.0790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4815    4.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5545    6.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8276    1.6019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 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
 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
 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
 23 24  2  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (802)
802

>  <Formula> (802)
C18H19N3O3S

>  <MolWeight> (802)
357.42676

>  <Item Name> (802)
Rosiglitazone (Avandia)

>  <Catalog Number> (802)
S2556

>  <Synonyms> (802)
Avandia, BRL-49653

>  <Target> (802)
PPAR

>  <Form> (802)
Free Base

>  <URL> (802)
http://www.selleckchem.com/products/Rosiglitazone-Avandia.html

>  <CAS Number> (802)
122320-73-4

>  <Plate Location> (802)
a3

>  <Rack Number> (802)
L1700-12

$$$$
BKM-120.cdx
csChFnd80/04011511122D

 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
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944396-07-0

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e8

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L1700-09

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csChFnd80/04011511122D

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N/A 

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PKC

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1009820-21-6

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f8

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L1700-09

$$$$
GSK256066.cdx
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GSK-256066

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PDE

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>  <CAS Number> (805)
801312-28-7

>  <Plate Location> (805)
a8

>  <Rack Number> (805)
L1700-12

$$$$
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csChFnd80/04011511122D

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GW-3965

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Liver X Receptor

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hydrochloride

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>  <CAS Number> (806)
405911-17-3

>  <Plate Location> (806)
b9

>  <Rack Number> (806)
L1700-12

$$$$
LY2157299.cdx
csChFnd80/04011511122D

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94055-76-2

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c2

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L1700-08

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GSK-3

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Free Base

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>  <CAS Number> (837)
601514-19-6

>  <Plate Location> (837)
f6

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L1700-05

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Apatinib.cdx
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YN968D1

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VEGFR

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Sulfate

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http://www.selleckchem.com/products/Apatinib-YN968D1.html

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811803-05-1

>  <Plate Location> (838)
d6

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L1700-09

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untitled.cdx
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c2

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    6.9163   10.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1246    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5452    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7577    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3315    2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7626    5.9546    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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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  6 10  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
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 12 15  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 18 17  1  1  0  0  0
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 24 25  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 26  2  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (840)
840

>  <Formula> (840)
C21H27N7O3

>  <MolWeight> (840)
425.48418

>  <Item Name> (840)
GSK690693

>  <Catalog Number> (840)
S1113

>  <Synonyms> (840)
N/A

>  <Target> (840)
Akt

>  <Form> (840)
Free Base

>  <URL> (840)
http://www.selleckchem.com/products/GSK690693.html

>  <CAS Number> (840)
937174-76-0

>  <Plate Location> (840)
b1

>  <Rack Number> (840)
L1700-02

$$$$
LIDEX-E (fluocinonide).cdx
csChFnd80/04011511122D

 37 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.4248    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  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    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8903    0.0000 H   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
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    8.2395    7.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 F   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
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   10.8248    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441    6.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3065    8.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3441    6.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2295   10.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6295   10.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5319   12.0031    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
  7 25  1  6  0  0  0
 11 26  1  6  0  0  0
 17 27  1  6  0  0  0
 16 28  1  6  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 23 32  1  0  0  0  0
 23 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
 35 37  2  0  0  0  0
M  END
>  <Mol_ID> (841)
841

>  <Formula> (841)
C26H32F2O7

>  <MolWeight> (841)
494.5248864

>  <Item Name> (841)
Fluocinonide (Vanos)

>  <Catalog Number> (841)
S2608

>  <Synonyms> (841)
Fluonex, Lidex, Lidex-E, Lonide, Lyderm 

>  <Target> (841)
Others

>  <Form> (841)
Free Base

>  <URL> (841)
http://www.selleckchem.com/products/Fluocinonide(Vanos).html

>  <CAS Number> (841)
356-12-7

>  <Plate Location> (841)
a7

>  <Rack Number> (841)
L1700-12

$$$$
Ginkgolide A.cdx
csChFnd80/04011511122D

 31 36  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    2.4591    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5544    2.8918    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5544    4.2918    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2229    4.7244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8859    2.4591    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7088    3.5918    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8859    4.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5317    2.4591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8631    2.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8631    4.2918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5317    4.7244    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2482    1.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1693    1.1068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3989    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5544    5.6869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5216    1.4692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2664    4.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1205    5.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6502    6.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7692    5.8985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2891    8.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  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  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
  7 14  1  6  0  0  0
 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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 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> (842)
842

>  <Formula> (842)
C20H24O9

>  <MolWeight> (842)
408.39916

>  <Item Name> (842)
Ginkgolide A

>  <Catalog Number> (842)
S2026

>  <Synonyms> (842)
BN52020

>  <Target> (842)
GABA Receptor

>  <Form> (842)
Free Base

>  <URL> (842)
http://www.selleckchem.com/products/ginkgolide-a.html

>  <CAS Number> (842)
15291-75-5

>  <Plate Location> (842)
b3

>  <Rack Number> (842)
L1700-08

$$$$
Curcumin.cdx
csChFnd80/04011511122D

 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
    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
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 O   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
   14.5577    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4158    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  2  0  0  0  0
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 23 24  2  0  0  0  0
 24 17  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (843)
843

>  <Formula> (843)
C21H20O6

>  <MolWeight> (843)
368.3799

>  <Item Name> (843)
Curcumin

>  <Catalog Number> (843)
S1848

>  <Synonyms> (843)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (843)
Others

>  <Form> (843)
Free Base

>  <URL> (843)
http://www.selleckchem.com/products/Curcumin.html

>  <CAS Number> (843)
458-37-7

>  <Plate Location> (843)
d3

>  <Rack Number> (843)
L1700-07

$$$$
Ciproxifan.cdx
csChFnd80/04011511122D

 28 29  0  0  0  0  0  0  0  0999 V2000
   11.9152    6.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    8.0046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    5.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    4.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (844)
844

>  <Formula> (844)
C20H22N2O6

>  <MolWeight> (844)
386.39848

>  <Item Name> (844)
Ciproxifan

>  <Catalog Number> (844)
S2813

>  <Synonyms> (844)
N/A 

>  <Target> (844)
Histamine Receptor 

>  <Form> (844)
Maleate

>  <URL> (844)
http://www.selleckchem.com/products/ciproxifan.html

>  <CAS Number> (844)
184025-19-2

>  <Plate Location> (844)
g1

>  <Rack Number> (844)
L1700-14

$$$$
LY2603618.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (845)
845

>  <Formula> (845)
C18H22BrN5O3

>  <MolWeight> (845)
436.30298

>  <Item Name> (845)
LY2603618 (IC-83)

>  <Catalog Number> (845)
S2626

>  <Synonyms> (845)
N/A 

>  <Target> (845)
Chk

>  <Form> (845)
Free Base

>  <URL> (845)
http://www.selleckchem.com/products/LY2603618-IC-83.html

>  <CAS Number> (845)
911222-45-2

>  <Plate Location> (845)
g8

>  <Rack Number> (845)
L1700-12

$$$$
Dimethyl Fumarate.cdx
csChFnd80/04011511122D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (846)
846

>  <Formula> (846)
C6H8O4

>  <MolWeight> (846)
144.12532

>  <Item Name> (846)
Dimethyl Fumarate

>  <Catalog Number> (846)
S2586 

>  <Synonyms> (846)
N/A

>  <Target> (846)
Others

>  <Form> (846)
Fumarate

>  <URL> (846)
http://www.selleckchem.com/products/dimethyl-Fumarate.html

>  <CAS Number> (846)
624-49-7

>  <Plate Location> (846)
c5

>  <Rack Number> (846)
L1700-12

$$$$
Clinofbrate.cdx
csChFnd80/04011511122D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (847)
847

>  <Formula> (847)
C28H36O6

>  <MolWeight> (847)
468.58184

>  <Item Name> (847)
Clinofibrate

>  <Catalog Number> (847)
S2664

>  <Synonyms> (847)
Lipoclin

>  <Target> (847)
RAAS

>  <Form> (847)
Free Base

>  <URL> (847)
http://www.selleckchem.com/products/clinofibrate.html

>  <CAS Number> (847)
30299-08-2

>  <Plate Location> (847)
c11

>  <Rack Number> (847)
L1700-12

$$$$
GSK1120212.cdx
csChFnd80/04011511122D

 37 41  0  0  0  0  0  0  0  0999 V2000
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Wnt/beta-catenin

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780757-88-2

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a11

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L1700-12

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M  END
>  <Mol_ID> (852)
852

>  <Formula> (852)
C24H29ClN2O3

>  <MolWeight> (852)
428.95166

>  <Item Name> (852)
ADL5859 HCl

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S1139

>  <Synonyms> (852)
N/A 

>  <Target> (852)
Opioid Receptor

>  <Form> (852)
Hydrochloride

>  <URL> (852)
http://www.selleckchem.com/products/ADL-5859.html

>  <CAS Number> (852)
850173-95-4

>  <Plate Location> (852)
d3

>  <Rack Number> (852)
L1700-02

$$$$
BMY7378.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (853)
853

>  <Formula> (853)
C22H33Cl2N3O3

>  <MolWeight> (853)
458.42172

>  <Item Name> (853)
BMY 7378

>  <Catalog Number> (853)
S2691

>  <Synonyms> (853)
N/A

>  <Target> (853)
5-HT Receptor

>  <Form> (853)
Dihydrochloride

>  <URL> (853)
http://www.selleckchem.com/products/bmy-7378.html

>  <CAS Number> (853)
21102-95-4

>  <Plate Location> (853)
g2

>  <Rack Number> (853)
L1700-13

$$$$
Ciprofibrate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (854)
854

>  <Formula> (854)
C13H14Cl2O3

>  <MolWeight> (854)
289.15446

>  <Item Name> (854)
Ciprofibrate

>  <Catalog Number> (854)
S2665

>  <Synonyms> (854)
N/A

>  <Target> (854)
PPAR

>  <Form> (854)
Free Base

>  <URL> (854)
http://www.selleckchem.com/products/ciprofibrate.html

>  <CAS Number> (854)
52214-84-3

>  <Plate Location> (854)
d11

>  <Rack Number> (854)
L1700-12

$$$$
PHA-665752.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (855)
855

>  <Formula> (855)
C32H34Cl2N4O4S

>  <MolWeight> (855)
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>  <Item Name> (855)
PHA-665752

>  <Catalog Number> (855)
S1070 

>  <Synonyms> (855)
N/A 

>  <Target> (855)
c-Met

>  <Form> (855)
Free Base

>  <URL> (855)
http://www.selleckchem.com/products/PHA-665752.html

>  <CAS Number> (855)
477575-56-7

>  <Plate Location> (855)
g7

>  <Rack Number> (855)
L1700-01

$$$$
Amoxicillin sodium.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (856)
856

>  <Formula> (856)
C16H18N3NaO5S

>  <MolWeight> (856)
387.38599

>  <Item Name> (856)
Amoxicillin sodium (Amox)

>  <Catalog Number> (856)
S2565

>  <Synonyms> (856)
Amoxycillin 

>  <Target> (856)
Others

>  <Form> (856)
Sodium Salt

>  <URL> (856)
http://www.selleckchem.com/products/amoxicillin-(amox).html

>  <CAS Number> (856)
34642-77-8

>  <Plate Location> (856)
f3

>  <Rack Number> (856)
L1700-12

$$$$
Geldanamycin.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (857)
857

>  <Formula> (857)
C29H40N2O9

>  <MolWeight> (857)
560.6359

>  <Item Name> (857)
Geldanamycin

>  <Catalog Number> (857)
S2713

>  <Synonyms> (857)
N/A

>  <Target> (857)
HSP

>  <Form> (857)
Free Base

>  <URL> (857)
http://www.selleckchem.com/products/geldanamycin.html

>  <CAS Number> (857)
30562-34-6

>  <Plate Location> (857)
b4

>  <Rack Number> (857)
L1700-13

$$$$
A769662.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (858)
858

>  <Formula> (858)
C20H12N2O3S

>  <MolWeight> (858)
360.38588

>  <Item Name> (858)
A-769662

>  <Catalog Number> (858)
S2697

>  <Synonyms> (858)
N/A

>  <Target> (858)
AMPK

>  <Form> (858)
Free Base

>  <URL> (858)
http://www.selleckchem.com/products/a-769662.html

>  <CAS Number> (858)
844499-71-4

>  <Plate Location> (858)
d3

>  <Rack Number> (858)
L1700-13

$$$$
BRL15572.cdx
csChFnd80/04011511122D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (859)
859

>  <Formula> (859)
C25H29Cl3N2O

>  <MolWeight> (859)
479.86956

>  <Item Name> (859)
BRL-15572

>  <Catalog Number> (859)
S2677

>  <Synonyms> (859)
N/A

>  <Target> (859)
5-HT Receptor

>  <Form> (859)
Dihydrochloride

>  <URL> (859)
http://www.selleckchem.com/products/brl-15572.html

>  <CAS Number> (859)
193611-72-2

>  <Plate Location> (859)
d1

>  <Rack Number> (859)
L1700-13

$$$$
KX2-391.cdx
csChFnd80/04011511122D

 32 35  0  0  0  0  0  0  0  0999 V2000
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Src

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897016-82-9

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g3

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186392-40-5

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d4

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IGF-1, ALK

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1116235-97-2

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h3

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L1700-13

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b11

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Raf

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g4

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   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> (871)
871

>  <Formula> (871)
C20H23BrN2O4

>  <MolWeight> (871)
435.31162

>  <Item Name> (871)
Brompheniramine

>  <Catalog Number> (871)
S2585

>  <Synonyms> (871)
N/A

>  <Target> (871)
Histamine Receptor

>  <Form> (871)
Maleate

>  <URL> (871)
http://www.selleckchem.com/products/brompheniramine.html

>  <CAS Number> (871)
980-71-2

>  <Plate Location> (871)
b5

>  <Rack Number> (871)
L1700-12

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/04011511122D

 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> (872)
872

>  <Formula> (872)
C24H26N2O4

>  <MolWeight> (872)
406.47424

>  <Item Name> (872)
Carvedilol

>  <Catalog Number> (872)
S1831

>  <Synonyms> (872)
Coreg, Dilatrend

>  <Target> (872)
Adrenergic Receptor

>  <Form> (872)
Free Base

>  <URL> (872)
http://www.selleckchem.com/products/carvedilol.html

>  <CAS Number> (872)
72956-09-3

>  <Plate Location> (872)
b2

>  <Rack Number> (872)
L1700-07

$$$$
Phenylephrine hydrochloride.cdx
csChFnd80/04011511122D

 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> (873)
873

>  <Formula> (873)
C9H14ClNO2

>  <MolWeight> (873)
203.66596

>  <Item Name> (873)
Phenylephrine hydrochloride

>  <Catalog Number> (873)
S2569

>  <Synonyms> (873)
N/A

>  <Target> (873)
Adrenergic Receptor

>  <Form> (873)
Hydrochloride

>  <URL> (873)
http://www.selleckchem.com/products/Phenylephrine-hydrochloride.html

>  <CAS Number> (873)
61-76-7

>  <Plate Location> (873)
a4

>  <Rack Number> (873)
L1700-12

$$$$
Medroxyprogesterone acetate.cdx
csChFnd80/04011511122D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  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
    9.0330    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9826    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
    4.8455    0.0000    0.0000 C   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
   10.6995    4.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    3.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0946    4.8195    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
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  5 22  1  1  0  0  0
  9 23  1  1  0  0  0
 12 24  1  1  0  0  0
 10 25  1  6  0  0  0
  7 26  1  6  0  0  0
 11 27  1  6  0  0  0
 17 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
M  END
>  <Mol_ID> (874)
874

>  <Formula> (874)
C24H34O4

>  <MolWeight> (874)
386.52436

>  <Item Name> (874)
Medroxyprogesterone acetate

>  <Catalog Number> (874)
S2567

>  <Synonyms> (874)
Medroxyprogesterone 17-acetate, MPA 

>  <Target> (874)
Estrogen/progestogen Receptor

>  <Form> (874)
Free Base

>  <URL> (874)
http://www.selleckchem.com/products/Medroxyprogesterone-acetate.html

>  <CAS Number> (874)
71-58-9

>  <Plate Location> (874)
h3

>  <Rack Number> (874)
L1700-12

$$$$
ADONITOL.cdx
csChFnd80/04011511122D

 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> (875)
875

>  <Formula> (875)
C5H12O5

>  <MolWeight> (875)
152.14578

>  <Item Name> (875)
Ribitol (Adonitol)

>  <Catalog Number> (875)
S2612 

>  <Synonyms> (875)
Adonite 
)

>  <Target> (875)
Others

>  <Form> (875)
Free Base

>  <URL> (875)
http://www.selleckchem.com/products/ribitol-adonitol.html

>  <CAS Number> (875)
488-81-3 

>  <Plate Location> (875)
c7

>  <Rack Number> (875)
L1700-12

$$$$

csChFnd80/04011511122D

 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> (876)
876

>  <Formula> (876)
C16H25ClN2O

>  <MolWeight> (876)
296.8355

>  <Item Name> (876)
Ropinirole HCl

>  <Catalog Number> (876)
S3189

>  <Synonyms> (876)
N/A 

>  <Target> (876)
Others

>  <Form> (876)
HCl

>  <URL> (876)
http://www.selleckchem.com/products/ropinirole-hydrochloride.html

>  <CAS Number> (876)
91374-20-8

>  <Plate Location> (876)
b2

>  <Rack Number> (876)
L1700-16

$$$$
(+,-)-Octopamine hydrochloride.cdx
csChFnd80/04011511122D

 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
    1.2082    2.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (877)
877

>  <Formula> (877)
C8H12ClNO2

>  <MolWeight> (877)
189.63938

>  <Item Name> (877)
(+,-)-Octopamine HCl

>  <Catalog Number> (877)
S3188

>  <Synonyms> (877)
N/A 

>  <Target> (877)
Others

>  <Form> (877)
HCl

>  <URL> (877)
http://www.selleckchem.com/products/octopamine-hcl.html

>  <CAS Number> (877)
770-05-8

>  <Plate Location> (877)
a2

>  <Rack Number> (877)
L1700-16

$$$$
NU-7441(KU-57788).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (878)
878

>  <Formula> (878)
C25H19NO3S

>  <MolWeight> (878)
413.48826

>  <Item Name> (878)
NU7441(KU-57788)

>  <Catalog Number> (878)
S2638

>  <Synonyms> (878)
N/A 

>  <Target> (878)
DNA-PK, PI3K

>  <Form> (878)
Free Base

>  <URL> (878)
http://www.selleckchem.com/products/nu7441.html

>  <CAS Number> (878)
503468-95-9 

>  <Plate Location> (878)
b10

>  <Rack Number> (878)
L1700-12

$$$$
SCH 900776.cdx
csChFnd80/04011511122D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (879)
879

>  <Formula> (879)
C15H18BrN7

>  <MolWeight> (879)
376.25432

>  <Item Name> (879)
MK-8776 (SCH 900776)

>  <Catalog Number> (879)
S2735

>  <Synonyms> (879)
N/A

>  <Target> (879)
CHK

>  <Form> (879)
Free Base

>  <URL> (879)
http://www.selleckchem.com/products/sch-900776.html

>  <CAS Number> (879)
891494-63-6

>  <Plate Location> (879)
h5

>  <Rack Number> (879)
L1700-13

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (880)
880

>  <Formula> (880)
C21H21Cl2NO5

>  <MolWeight> (880)
438.30114

>  <Item Name> (880)
Flavopiridol (Alvocidib) HCl

>  <Catalog Number> (880)
S2679

>  <Synonyms> (880)
N/A

>  <Target> (880)
CDK

>  <Form> (880)
Hydrochloride

>  <URL> (880)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

>  <CAS Number> (880)
131740-09-5

>  <Plate Location> (880)
e1

>  <Rack Number> (880)
L1700-13

$$$$
PH797804.cdx
csChFnd80/04011511122D

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p38 MAPK

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Free Base

>  <URL> (881)
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>  <CAS Number> (881)
586379-66-0

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b5

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L1700-13

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EGFR

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c5

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L1700-13

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Free Base

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264218-23-7

>  <Plate Location> (883)
e5

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L1700-13

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mTOR 

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>  <CAS Number> (884)
1224844-38-5

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e1

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L1700-14

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>  <Target> (886)
CDK

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>  <URL> (886)
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>  <CAS Number> (886)
779353-01-4

>  <Plate Location> (886)
d8

>  <Rack Number> (886)
L1700-13

$$$$
MK-5108.cdx
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S2770

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N/A 

>  <Target> (887)
Aurora Kinase

>  <Form> (887)
Free Base

>  <URL> (887)
http://www.selleckchem.com/products/mk-5108-vx-689.html

>  <CAS Number> (887)
1010085-13-8

>  <Plate Location> (887)
f8

>  <Rack Number> (887)
L1700-13

$$$$
CP868569.cdx
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>  <Formula> (888)
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>  <Item Name> (888)
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N/A 

>  <Target> (888)
PDGFR

>  <Form> (888)
Free Base

>  <URL> (888)
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>  <CAS Number> (888)
670220-88-9

>  <Plate Location> (888)
f5

>  <Rack Number> (888)
L1700-13

$$$$
Erdosteine.cdx
csChFnd80/04011511122D

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889

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N/A

>  <Target> (889)
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>  <Form> (889)
Free Base

>  <URL> (889)
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>  <CAS Number> (889)
84611-23-4 

>  <Plate Location> (889)
f1

>  <Rack Number> (889)
L1700-07

$$$$
Fenoprofen calcium.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (890)
890

>  <Formula> (890)
C30H26CaO6

>  <MolWeight> (890)
522.60184

>  <Item Name> (890)
Fenoprofen calcium

>  <Catalog Number> (890)
S1823 

>  <Synonyms> (890)
Nalfon

>  <Target> (890)
Others

>  <Form> (890)
Free Base

>  <URL> (890)
http://www.selleckchem.com/products/fenoprofen-calcium.html

>  <CAS Number> (890)
34597-40-5 

>  <Plate Location> (890)
e1

>  <Rack Number> (890)
L1700-07

$$$$
BENICAR (olmesartan medoxomil).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (891)
891

>  <Formula> (891)
C29H30N6O6

>  <MolWeight> (891)
558.5851

>  <Item Name> (891)
Olmesartan medoxomil (Benicar)

>  <Catalog Number> (891)
S1604

>  <Synonyms> (891)
Olmetec 

>  <Target> (891)
RAAS

>  <Form> (891)
Free Base

>  <URL> (891)
http://www.selleckchem.com/products/olmesartan-medoxomil-Benicar.html

>  <CAS Number> (891)
144689-63-4

>  <Plate Location> (891)
c7

>  <Rack Number> (891)
L1700-05

$$$$
PAC1.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (892)
892

>  <Formula> (892)
C23H28N4O2

>  <MolWeight> (892)
392.49402

>  <Item Name> (892)
PAC-1

>  <Catalog Number> (892)
S2738

>  <Synonyms> (892)
Procaspase activating compound 1

>  <Target> (892)
Caspase

>  <Form> (892)
Free Base

>  <URL> (892)
http://www.selleckchem.com/products/pac-1.html

>  <CAS Number> (892)
315183-21-2

>  <Plate Location> (892)
b6

>  <Rack Number> (892)
L1700-13

$$$$
Pramipexole.cdx
csChFnd80/04011511122D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (893)
893

>  <Formula> (893)
C10H17N3S

>  <MolWeight> (893)
211.32708

>  <Item Name> (893)
Pramipexole (Mirapex)

>  <Catalog Number> (893)
S2460

>  <Synonyms> (893)
Mirapexin, Sifrol

>  <Target> (893)
Dopamine Receptor

>  <Form> (893)
Free Base

>  <URL> (893)
http://www.selleckchem.com/products/Pramipexole-Mirapex.html

>  <CAS Number> (893)
104632-26-0

>  <Plate Location> (893)
c5

>  <Rack Number> (893)
L1700-11

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (894)
894

>  <Formula> (894)
C20H22ClN3O2

>  <MolWeight> (894)
371.86058

>  <Item Name> (894)
Tubastatin A hydrochloride

>  <Catalog Number> (894)
S2627 

>  <Synonyms> (894)
N/A

>  <Target> (894)
HDAC

>  <Form> (894)
Hydrochloride

>  <URL> (894)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

>  <CAS Number> (894)
1310693-92-5

>  <Plate Location> (894)
h8

>  <Rack Number> (894)
L1700-12

$$$$
AG-1478.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (895)
895

>  <Formula> (895)
C16H14ClN3O2

>  <MolWeight> (895)
315.75426

>  <Item Name> (895)
AG-1478 (Tyrphostin AG-1478)

>  <Catalog Number> (895)
S2728

>  <Synonyms> (895)
Tyrphostin AG-1478

>  <Target> (895)
EGFR

>  <Form> (895)
Free Base

>  <URL> (895)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

>  <CAS Number> (895)
153436-53-4

>  <Plate Location> (895)
d5

>  <Rack Number> (895)
L1700-13

$$$$
PF-04691502.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (896)
896

>  <Formula> (896)
C22H27N5O4

>  <MolWeight> (896)
425.48088

>  <Item Name> (896)
PF-04691502

>  <Catalog Number> (896)
S2743

>  <Synonyms> (896)
N/A

>  <Target> (896)
mTOR, PI3K, Akt

>  <Form> (896)
Free Base

>  <URL> (896)
http://www.selleckchem.com/products/pf-04691502.html

>  <CAS Number> (896)
1013101-36-4 

>  <Plate Location> (896)
d6

>  <Rack Number> (896)
L1700-13

$$$$
Adenine hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (897)
897

>  <Formula> (897)
C5H6ClN5

>  <MolWeight> (897)
171.58764

>  <Item Name> (897)
Adenine hydrochloride

>  <Catalog Number> (897)
S1983

>  <Synonyms> (897)
N/A

>  <Target> (897)
DNA/RNA Synthesis

>  <Form> (897)
Hydrochloride

>  <URL> (897)
http://www.selleckchem.com/products/adenine-hydrochloride.html

>  <CAS Number> (897)
2922-28-3 

>  <Plate Location> (897)
f11

>  <Rack Number> (897)
L1700-07

$$$$
Benidipine hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (898)
898

>  <Formula> (898)
C28H32ClN3O6

>  <MolWeight> (898)
542.02318

>  <Item Name> (898)
Benidipine hydrochloride

>  <Catalog Number> (898)
S2017

>  <Synonyms> (898)
N/A

>  <Target> (898)
calcium channel

>  <Form> (898)
Hydrochloride

>  <URL> (898)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

>  <CAS Number> (898)
91599-74-5

>  <Plate Location> (898)
e2

>  <Rack Number> (898)
L1700-08

$$$$
Clorsulon.cdx
csChFnd80/04011511122D

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899

>  <Formula> (899)
C8H8Cl3N3O4S2

>  <MolWeight> (899)
380.65582

>  <Item Name> (899)
Clorsulon

>  <Catalog Number> (899)
S2613 

>  <Synonyms> (899)
N/A

>  <Target> (899)
Others

>  <Form> (899)
Free Base

>  <URL> (899)
http://www.selleckchem.com/products/clorsulon.html

>  <CAS Number> (899)
60200-06-8

>  <Plate Location> (899)
d7

>  <Rack Number> (899)
L1700-12

$$$$
RS-127445.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (900)
900

>  <Formula> (900)
C17H16FN3

>  <MolWeight> (900)
281.3274432

>  <Item Name> (900)
RS-127445

>  <Catalog Number> (900)
S2698

>  <Synonyms> (900)
N/A

>  <Target> (900)
5-HT Receptor

>  <Form> (900)
Free Base

>  <URL> (900)
http://www.selleckchem.com/products/rs-127445.html

>  <CAS Number> (900)
199864-87-3

>  <Plate Location> (900)
e3

>  <Rack Number> (900)
L1700-13

$$$$
Fluticasone propionate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (901)
901

>  <Formula> (901)
C25H31F3O5S

>  <MolWeight> (901)
500.5708496

>  <Item Name> (901)
Fluticasone propionate (Flonase, Veramyst)

>  <Catalog Number> (901)
S1992

>  <Synonyms> (901)
N/A 

>  <Target> (901)
Others

>  <Form> (901)
Propionate 

>  <URL> (901)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

>  <CAS Number> (901)
80474-14-2

>  <Plate Location> (901)
a1

>  <Rack Number> (901)
L1700-08

$$$$
Formoterol fumarate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (902)
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>  <Formula> (902)
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>  <MolWeight> (902)
804.88188

>  <Item Name> (902)
Formoterol hemifumarate

>  <Catalog Number> (902)
S2020

>  <Synonyms> (902)
N/A

>  <Target> (902)
Adrenergic Receptor

>  <Form> (902)
Fumarate

>  <URL> (902)
http://www.selleckchem.com/products/formoterol-hemifumarate.html

>  <CAS Number> (902)
43229-80-7

>  <Plate Location> (902)
f2

>  <Rack Number> (902)
L1700-08

$$$$
Ketotifen fumarate.cdx
csChFnd80/04011511122D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.2570    3.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    1.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3515    0.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22  5  1  0  0  0  0
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 26 29  1  0  0  0  0
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M  END
>  <Mol_ID> (903)
903

>  <Formula> (903)
C23H23NO5S

>  <MolWeight> (903)
425.49742

>  <Item Name> (903)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (903)
S2024

>  <Synonyms> (903)
N/A 

>  <Target> (903)
Histamine Receptor

>  <Form> (903)
Fumarate 

>  <URL> (903)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (903)
34580-14-8

>  <Plate Location> (903)
h2

>  <Rack Number> (903)
L1700-08

$$$$
Lacidipine.cdx
csChFnd80/04011511122D

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6373    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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  8 20  1  0  0  0  0
 20 33  2  0  0  0  0
M  END
>  <Mol_ID> (904)
904

>  <Formula> (904)
C26H33NO6

>  <MolWeight> (904)
455.54332

>  <Item Name> (904)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (904)
S1994

>  <Synonyms> (904)
Lacipil, Motens

>  <Target> (904)
Calcium Channel 

>  <Form> (904)
Free Base

>  <URL> (904)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (904)
103890-78-4

>  <Plate Location> (904)
b1

>  <Rack Number> (904)
L1700-08

$$$$
MIRTAZAPINE (mirtazapine).cdx
csChFnd80/04011511122D

 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
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 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> (905)
905

>  <Formula> (905)
C17H19N3

>  <MolWeight> (905)
265.35286

>  <Item Name> (905)
Mirtazapine (Remeron, Avanza)

>  <Catalog Number> (905)
S2016

>  <Synonyms> (905)
N/A 

>  <Target> (905)
Others

>  <Form> (905)
Free Base

>  <URL> (905)
http://www.selleckchem.com/products/mirtazapine-remeron-avanza.html

>  <CAS Number> (905)
85650-52-8 

>  <Plate Location> (905)
d2

>  <Rack Number> (905)
L1700-08

$$$$
Mometasone furoate.cdx
csChFnd80/04011511122D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 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> (906)
906

>  <Formula> (906)
C27H30Cl2O6

>  <MolWeight> (906)
521.4295

>  <Item Name> (906)
Mometasone furoate

>  <Catalog Number> (906)
S1987

>  <Synonyms> (906)
N/A

>  <Target> (906)
Others

>  <Form> (906)
Furoate

>  <URL> (906)
http://www.selleckchem.com/products/mometasone-furoate.html

>  <CAS Number> (906)
83919-23-7

>  <Plate Location> (906)
g11

>  <Rack Number> (906)
L1700-07

$$$$
Pidotimod.cdx
csChFnd80/04011511122D

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.5487    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3119    2.2528    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6030    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6130    4.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9553    3.9846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.6834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4617    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  6  1  6  0  0  0
  9 10  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 15  1  0  0  0  0
 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> (907)
907

>  <Formula> (907)
C9H12N2O4S

>  <MolWeight> (907)
244.26758

>  <Item Name> (907)
Pidotimod

>  <Catalog Number> (907)
S3106

>  <Synonyms> (907)
N/A 

>  <Target> (907)
Others

>  <Form> (907)
Free Base

>  <URL> (907)
http://www.selleckchem.com/products/pidotimod.html

>  <CAS Number> (907)
121808-62-6

>  <Plate Location> (907)
b8

>  <Rack Number> (907)
L1700-15

$$$$
Pyridoxine hydrochloride.cdx
csChFnd80/04011511122D

 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
  7  8  1  0  0  0  0
  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> (908)
908

>  <Formula> (908)
C8H12ClNO3

>  <MolWeight> (908)
205.63878

>  <Item Name> (908)
Pyridoxine hydrochloride

>  <Catalog Number> (908)
S3113

>  <Synonyms> (908)
N/A 

>  <Target> (908)
Others

>  <Form> (908)
Hydrochloride

>  <URL> (908)
http://www.selleckchem.com/products/pyridoxine-hydrochloride.html

>  <CAS Number> (908)
58-56-0

>  <Plate Location> (908)
c8

>  <Rack Number> (908)
L1700-15

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/04011511122D

 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> (909)
909

>  <Formula> (909)
C15H25ClN2O2

>  <MolWeight> (909)
300.8242

>  <Item Name> (909)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (909)
S2573 

>  <Synonyms> (909)
N/A 

>  <Target> (909)
Calcium Channel

>  <Form> (909)
Hydrochloride 

>  <URL> (909)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (909)
136-47-0

>  <Plate Location> (909)
b4

>  <Rack Number> (909)
L1700-12

$$$$
Urapidil hydrochloride.cdx
csChFnd80/04011511122D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.7910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.5983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.6983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.2983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    5.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    0.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    2.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    3.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    4.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7805    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  2  0  0  0  0
  2  9  2  0  0  0  0
  1 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (910)
910

>  <Formula> (910)
C20H30ClN5O3

>  <MolWeight> (910)
423.9369

>  <Item Name> (910)
Urapidil hydrochloride

>  <Catalog Number> (910)
S2025

>  <Synonyms> (910)
N/A

>  <Target> (910)
5-HT Receptor

>  <Form> (910)
Hydrochloride

>  <URL> (910)
http://www.selleckchem.com/products/urapidil-hydrochloride.html

>  <CAS Number> (910)
64887-14-5

>  <Plate Location> (910)
a3

>  <Rack Number> (910)
L1700-08

$$$$
Albendazole oxide.cdx
csChFnd80/04011511122D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8329    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    3.8182    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8122    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5097    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8122    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9049    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6049    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  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> (911)
911

>  <Formula> (911)
C12H15N3O3S

>  <MolWeight> (911)
281.3308

>  <Item Name> (911)
Albendazole Oxide (Ricobendazole)

>  <Catalog Number> (911)
S1836

>  <Synonyms> (911)
N/A 

>  <Target> (911)
Others

>  <Form> (911)
Free Base

>  <URL> (911)
http://www.selleckchem.com/products/albendazole-oxide-ricobendazole.html

>  <CAS Number> (911)
54029-12-8

>  <Plate Location> (911)
f2

>  <Rack Number> (911)
L1700-07

$$$$
Alibendol.cdx
csChFnd80/04011511122D

 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> (912)
912

>  <Formula> (912)
C13H17NO4

>  <MolWeight> (912)
251.27838

>  <Item Name> (912)
Alibendol

>  <Catalog Number> (912)
S1928

>  <Synonyms> (912)
N/A

>  <Target> (912)
Others

>  <Form> (912)
Free Base

>  <URL> (912)
http://www.selleckchem.com/products/alibendol.html

>  <CAS Number> (912)
26750-81-2

>  <Plate Location> (912)
e8

>  <Rack Number> (912)
L1700-07

$$$$
Aspartame.cdx
csChFnd80/04011511122D

 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
 17 18  2  0  0  0  0
 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> (913)
913

>  <Formula> (913)
C14H18N2O5

>  <MolWeight> (913)
294.30312

>  <Item Name> (913)
Aspartame

>  <Catalog Number> (913)
S2036

>  <Synonyms> (913)
Nutrasweet

>  <Target> (913)
Others

>  <Form> (913)
Free Base

>  <URL> (913)
http://www.selleckchem.com/products/aspartame.html

>  <CAS Number> (913)
22839-47-0

>  <Plate Location> (913)
a4

>  <Rack Number> (913)
L1700-08

$$$$
Bifonazole.cdx
csChFnd80/04011511122D

 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> (914)
914

>  <Formula> (914)
C22H18N2

>  <MolWeight> (914)
310.39172

>  <Item Name> (914)
Bifonazole

>  <Catalog Number> (914)
S1854

>  <Synonyms> (914)
N/A

>  <Form> (914)
Free Base

>  <URL> (914)
http://www.selleckchem.com/products/bifonazole.html

>  <CAS Number> (914)
60628-96-8

>  <Plate Location> (914)
f3

>  <Rack Number> (914)
L1700-07

$$$$
Butoconazole nitrate.cdx
csChFnd80/04011511122D

 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
    8.4828    7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6953    7.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  6 14  1  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
 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
 15 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 15  1  0  0  0  0
 22 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> (915)
915

>  <Formula> (915)
C19H18Cl3N3O3S

>  <MolWeight> (915)
474.78852

>  <Item Name> (915)
Butoconazole nitrate

>  <Catalog Number> (915)
S1833

>  <Synonyms> (915)
N/A

>  <Target> (915)
Others

>  <Form> (915)
Nitrate

>  <URL> (915)
http://www.selleckchem.com/products/butoconazole-nitrate.html

>  <CAS Number> (915)
64872-77-1

>  <Plate Location> (915)
d2

>  <Rack Number> (915)
L1700-07

$$$$
Epalrestat.cdx
csChFnd80/04011511122D

 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
    0.0000    1.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041    1.5656    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7735    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    2.4870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    3.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8268    4.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3410    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8735    2.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5711    3.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9662    3.6952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8735    4.9034    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 10  2  0  0  0  0
  8 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
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 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
M  END
>  <Mol_ID> (916)
916

>  <Formula> (916)
C15H13NO3S2

>  <MolWeight> (916)
319.39862

>  <Item Name> (916)
Epalrestat

>  <Catalog Number> (916)
S2035 

>  <Synonyms> (916)
N/A

>  <Target> (916)
Others

>  <Form> (916)
Free Base

>  <URL> (916)
http://www.selleckchem.com/products/epalrestat.html

>  <CAS Number> (916)
82159-09-9

>  <Plate Location> (916)
h3

>  <Rack Number> (916)
L1700-08

$$$$
Ganciclovir.cdx
csChFnd80/04011511122D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    1.6169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    2.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    3.8822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2628    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0585    0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1963    3.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9921    1.7835    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
  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
  6 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
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (917)
917

>  <Formula> (917)
C9H13N5O4

>  <MolWeight> (917)
255.23062

>  <Item Name> (917)
Ganciclovir

>  <Catalog Number> (917)
S1878

>  <Synonyms> (917)
Cytovene

>  <Target> (917)
Others

>  <Form> (917)
Free Base

>  <URL> (917)
http://www.selleckchem.com/products/ganciclovir.html

>  <CAS Number> (917)
82410-32-0

>  <Plate Location> (917)
f4

>  <Rack Number> (917)
L1700-07

$$$$
Phentolamine mesilate.cdx
csChFnd80/04011511122D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8927    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
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0498    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4498    4.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (918)
918

>  <Formula> (918)
C18H23N3O4S

>  <MolWeight> (918)
377.45792

>  <Item Name> (918)
Phentolamine Mesylate 

>  <Catalog Number> (918)
S2038

>  <Synonyms> (918)
Regitine

>  <Target> (918)
adrenergic receptor

>  <Form> (918)
Mesylate 

>  <URL> (918)
http://www.selleckchem.com/products/phentolamine-mesilate.html

>  <CAS Number> (918)
65-28-1

>  <Plate Location> (918)
c4

>  <Rack Number> (918)
L1700-08

$$$$
Sulphadimethoxine.cdx
csChFnd80/04011511122D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.0538    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    1.3951    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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 15 18  1  0  0  0  0
 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> (919)
919

>  <Formula> (919)
C12H14N4O4S

>  <MolWeight> (919)
310.32896

>  <Item Name> (919)
Sulphadimethoxine

>  <Catalog Number> (919)
S1962

>  <Synonyms> (919)
Di-Methox, Albon

>  <Target> (919)
Others

>  <Form> (919)
Free Base

>  <URL> (919)
http://www.selleckchem.com/products/sulphadimethoxine.html

>  <CAS Number> (919)
122-11-2

>  <Plate Location> (919)
c10

>  <Rack Number> (919)
L1700-07

$$$$
Uridine.cdx
csChFnd80/04011511122D

 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
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  6  1  2  0  0  0  0
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  3  8  2  0  0  0  0
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 13  9  1  0  0  0  0
 11 14  1  1  0  0  0
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 13 17  1  6  0  0  0
M  END
>  <Mol_ID> (920)
920

>  <Formula> (920)
C9H12N2O6

>  <MolWeight> (920)
244.20138

>  <Item Name> (920)
Uridine

>  <Catalog Number> (920)
S2029

>  <Synonyms> (920)
N/A

>  <Target> (920)
DNA/RNA Synthesis

>  <Form> (920)
Free Base

>  <URL> (920)
http://www.selleckchem.com/products/uridine.html

>  <CAS Number> (920)
58-96-8

>  <Plate Location> (920)
d3

>  <Rack Number> (920)
L1700-08

$$$$
ENALAPRILAT (enalaprilat).cdx
csChFnd80/04011511122D

 27 26  0  0  0  0  0  0  0  0999 V2000
    7.0393    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0393    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8806    2.1725    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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 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> (921)
921

>  <Formula> (921)
C18H28N2O7

>  <MolWeight> (921)
384.42412

>  <Item Name> (921)
Enalaprilat dihydrate

>  <Catalog Number> (921)
S1657

>  <Synonyms> (921)
N/A

>  <Target> (921)
RAAS

>  <Form> (921)
Dihydrate

>  <URL> (921)
http://www.selleckchem.com/products/Enalaprilat.html

>  <CAS Number> (921)
84680-54-6 

>  <Plate Location> (921)
d1

>  <Rack Number> (921)
L1700-06

$$$$
Cefoperazone acid.cdx
csChFnd80/04011511122D

 45 49  0  0  0  0  0  0  0  0999 V2000
    5.8404   11.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (922)
922

>  <Formula> (922)
C25H27N9O8S2

>  <MolWeight> (922)
645.66738

>  <Item Name> (922)
Cefoperazone (Cefobid)

>  <Catalog Number> (922)
S1611

>  <Synonyms> (922)
N/A 

>  <Target> (922)
Others

>  <Form> (922)
Free Base

>  <URL> (922)
http://www.selleckchem.com/products/cefoperazone-cefobid.html

>  <CAS Number> (922)
62893-19-0

>  <Plate Location> (922)
b8

>  <Rack Number> (922)
L1700-05

$$$$
Acemetacin.cdx
csChFnd80/04011511122D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (923)
923

>  <Formula> (923)
C21H18ClNO6

>  <MolWeight> (923)
415.82372

>  <Item Name> (923)
Acemetacin (Emflex)

>  <Catalog Number> (923)
S2602

>  <Synonyms> (923)
N/A 

>  <Target> (923)
Others

>  <Form> (923)
Free Base

>  <URL> (923)
http://www.selleckchem.com/products/acemetacin-emflex.html

>  <CAS Number> (923)
53164-05-9

>  <Plate Location> (923)
c6

>  <Rack Number> (923)
L1700-12

$$$$
NATACYN (natamycin).cdx
csChFnd80/04011511122D

 50 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (924)
924

>  <Formula> (924)
C33H47NO13

>  <MolWeight> (924)
665.72518

>  <Item Name> (924)
Natamycin

>  <Catalog Number> (924)
S1517

>  <Synonyms> (924)
Pimaricin

>  <Target> (924)
Others

>  <Form> (924)
Free Base

>  <URL> (924)
http://www.selleckchem.com/products/Natamycin(Pimaricin).htm

>  <CAS Number> (924)
7681-93-8

>  <Plate Location> (924)
d1

>  <Rack Number> (924)
L1700-05

$$$$
Nystatin (Fungicidin).cdx
csChFnd80/04011511122D

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 44 24  1  0  0  0  0
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 29 47  1  6  0  0  0
 26 48  1  6  0  0  0
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 56 66  1  6  0  0  0
 24 67  1  1  0  0  0
M  END
>  <Mol_ID> (925)
925

>  <Formula> (925)
C47H75NO17

>  <MolWeight> (925)
926.0949

>  <Item Name> (925)
Nystatin (Fungicidin)

>  <Catalog Number> (925)
S1934

>  <Synonyms> (925)
N/A

>  <Target> (925)
Others

>  <Form> (925)
Free Base

>  <URL> (925)
http://www.selleckchem.com/products/Nystatin(Mycostatin).htm

>  <CAS Number> (925)
1400-61-9

>  <Plate Location> (925)
h8

>  <Rack Number> (925)
L1700-07

$$$$
Buflomedil hydrochloride.cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (926)
926

>  <Formula> (926)
C17H26ClNO4

>  <MolWeight> (926)
343.84564

>  <Item Name> (926)
Buflomedil HCl

>  <Catalog Number> (926)
S2607

>  <Synonyms> (926)
N/A

>  <Target> (926)
Others

>  <Form> (926)
Hydrochloride

>  <URL> (926)
http://www.selleckchem.com/products/auflomedil-hcl.html

>  <CAS Number> (926)
35543-24-9

>  <Plate Location> (926)
h6

>  <Rack Number> (926)
L1700-12

$$$$
Clindamycin palmitate hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (927)
927

>  <Formula> (927)
C34H64Cl2N2O6S

>  <MolWeight> (927)
699.85276

>  <Item Name> (927)
Clindamycin palmitate HCl

>  <Catalog Number> (927)
S2596

>  <Synonyms> (927)
N/A

>  <Target> (927)
Others

>  <Form> (927)
Hydrochloride

>  <URL> (927)
http://www.selleckchem.com/products/clindamycin-palmitate-hcl.html

>  <CAS Number> (927)
25507-04-4 

>  <Plate Location> (927)
h5

>  <Rack Number> (927)
L1700-12

$$$$
Clobetasol propionate.cdx
csChFnd80/04011511122D

 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
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 10  5  1  0  0  0  0
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 14 21  1  1  0  0  0
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 17 23  1  1  0  0  0
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M  END
>  <Mol_ID> (928)
928

>  <Formula> (928)
C25H32ClFO5

>  <MolWeight> (928)
466.9699832

>  <Item Name> (928)
Clobetasol propionate

>  <Catalog Number> (928)
S2584

>  <Synonyms> (928)
N/A

>  <Target> (928)
Others

>  <Form> (928)
Propionate

>  <URL> (928)
http://www.selleckchem.com/products/clobetasol-propionate.html

>  <CAS Number> (928)
25122-46-7

>  <Plate Location> (928)
a5

>  <Rack Number> (928)
L1700-12

$$$$
Lonidamine.cdx
csChFnd80/04011511122D

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>  <Formula> (929)
C15H10Cl2N2O2

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Lonidamine

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S2610

>  <Synonyms> (929)
N/A

>  <Target> (929)
Others

>  <Form> (929)
Free Base

>  <URL> (929)
http://www.selleckchem.com/products/lonidamine.html

>  <CAS Number> (929)
50264-69-2

>  <Plate Location> (929)
b7

>  <Rack Number> (929)
L1700-12

$$$$
L-Thyroxine.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (930)
930

>  <Formula> (930)
C15H11I4NO4

>  <MolWeight> (930)
776.87002

>  <Item Name> (930)
L-Thyroxine

>  <Catalog Number> (930)
S2599

>  <Synonyms> (930)
N/A

>  <Target> (930)
Others

>  <Form> (930)
Free Base

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

>  <CAS Number> (930)
51-48-9

>  <Plate Location> (930)
a6

>  <Rack Number> (930)
L1700-12

$$$$
Miglitol.cdx
csChFnd80/04011511122D

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931

>  <Formula> (931)
C8H17NO5

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Miglitol (Glyset)

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>  <Synonyms> (931)
N/A 

>  <Target> (931)
Others

>  <Form> (931)
Free Base

>  <URL> (931)
http://www.selleckchem.com/products/miglitol-glyset.html

>  <CAS Number> (931)
72432-03-2

>  <Plate Location> (931)
d5

>  <Rack Number> (931)
L1700-12

$$$$
Phenacetin.cdx
csChFnd80/04011511122D

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932

>  <Formula> (932)
C10H13NO2

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179.21572

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Phenacetin

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S2577

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N/A

>  <Target> (932)
COX

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Free Base

>  <URL> (932)
http://www.selleckchem.com/products/phenacetin.html

>  <CAS Number> (932)
62-44-2

>  <Plate Location> (932)
e4

>  <Rack Number> (932)
L1700-12

$$$$
Pioglitazone.cdx
csChFnd80/04011511122D

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933

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C19H20N2O3S

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356.4387

>  <Item Name> (933)
Pioglitazone (Actos)

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>  <Synonyms> (933)
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>  <Target> (933)
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>  <Form> (933)
Free Base

>  <URL> (933)
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>  <CAS Number> (933)
111025-46-8

>  <Plate Location> (933)
e5

>  <Rack Number> (933)
L1700-12

$$$$
Tetracycline hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (934)
934

>  <Formula> (934)
C22H25ClN2O8

>  <MolWeight> (934)
480.8955

>  <Item Name> (934)
Tetracycline hydrochloride

>  <Catalog Number> (934)
S2574 

>  <Synonyms> (934)
N/A

>  <Target> (934)
Others

>  <Form> (934)
Hydrochloride

>  <URL> (934)
http://www.selleckchem.com/products/tetracycline-hydrochloride.html

>  <CAS Number> (934)
64-75-5

>  <Plate Location> (934)
c4

>  <Rack Number> (934)
L1700-12

$$$$
Thiamphenicol.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (935)
935

>  <Formula> (935)
C12H15Cl2NO5S

>  <MolWeight> (935)
356.2222

>  <Item Name> (935)
Thiamphenicol (Thiophenicol)

>  <Catalog Number> (935)
S2583

>  <Synonyms> (935)
N/A 

>  <Target> (935)
Others

>  <Form> (935)
Free Base

>  <URL> (935)
http://www.selleckchem.com/products/thiamphenicol-thiophenicol.html

>  <CAS Number> (935)
15318-45-3

>  <Plate Location> (935)
h4

>  <Rack Number> (935)
L1700-12

$$$$
Tolfenamic acid.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (936)
936

>  <Formula> (936)
C14H12ClNO2

>  <MolWeight> (936)
261.70358

>  <Item Name> (936)
Tolfenamic acid

>  <Catalog Number> (936)
S1959

>  <Synonyms> (936)
N/A

>  <Target> (936)
Others

>  <Form> (936)
Free Base

>  <URL> (936)
http://www.selleckchem.com/products/tolfenamic-acid.html

>  <CAS Number> (936)
13710-19-5

>  <Plate Location> (936)
a10

>  <Rack Number> (936)
L1700-07

$$$$
Tolvaptan.cdx
csChFnd80/04011511122D

 32 35  0  0  0  0  0  0  0  0999 V2000
    5.6055    2.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (937)
937

>  <Formula> (937)
C26H25ClN2O3

>  <MolWeight> (937)
448.9413

>  <Item Name> (937)
Tolvaptan (OPC-41061)

>  <Catalog Number> (937)
S2593

>  <Synonyms> (937)
Samsca 

>  <Target> (937)
Estrogen/progestogen Receptor

>  <Form> (937)
Free Base

>  <URL> (937)
http://www.selleckchem.com/products/tolvaptan-opc-41061.html

>  <CAS Number> (937)
150683-30-0

>  <Plate Location> (937)
f5

>  <Rack Number> (937)
L1700-12

$$$$
Zidovudine.cdx
csChFnd80/04011511122D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (938)
938

>  <Formula> (938)
C10H13N5O4

>  <MolWeight> (938)
267.24132

>  <Item Name> (938)
Zidovudine (Retrovir)

>  <Catalog Number> (938)
S2579

>  <Synonyms> (938)
azidothymidine

>  <Target> (938)
Others

>  <Form> (938)
Free Base

>  <URL> (938)
http://www.selleckchem.com/products/zidovudine-retrovir.html

>  <CAS Number> (938)
30516-87-1

>  <Plate Location> (938)
f4

>  <Rack Number> (938)
L1700-12

$$$$
10-DAB.cdx
csChFnd80/04011511122D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (939)
939

>  <Formula> (939)
C29H36O10

>  <MolWeight> (939)
544.59014

>  <Item Name> (939)
10-DAB (10-Deacetylbaccatin)

>  <Catalog Number> (939)
S2409

>  <Synonyms> (939)
N/A 

>  <Target> (939)
Others

>  <Form> (939)
Free Base

>  <URL> (939)
http://www.selleckchem.com/products/10-dab-10-deacetylbaccatin.html

>  <CAS Number> (939)
32981-86-5

>  <Plate Location> (939)
h1

>  <Rack Number> (939)
L1700-11

$$$$
Cephalomannine.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (940)
940

>  <Formula> (940)
C45H53NO14

>  <MolWeight> (940)
831.90062

>  <Item Name> (940)
Cephalomannine

>  <Catalog Number> (940)
S2408

>  <Synonyms> (940)
N/A

>  <Target> (940)
Others

>  <Form> (940)
Free Base

>  <URL> (940)
http://www.selleckchem.com/products/cephalomannine.html

>  <CAS Number> (940)
71610-00-9

>  <Plate Location> (940)
g1

>  <Rack Number> (940)
L1700-11

$$$$
Genipin.cdx
csChFnd80/04011511122D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (941)
941

>  <Formula> (941)
C11H14O5

>  <MolWeight> (941)
226.22586

>  <Item Name> (941)
Genipin

>  <Catalog Number> (941)
S2412

>  <Synonyms> (941)
N/A

>  <Target> (941)
Others

>  <Form> (941)
Free Base

>  <URL> (941)
http://www.selleckchem.com/products/genipin.html

>  <CAS Number> (941)
6902-77-8

>  <Plate Location> (941)
c2

>  <Rack Number> (941)
L1700-11

$$$$
Geniposide.cdx
csChFnd80/04011511122D

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942

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C17H24O10

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>  <Item Name> (942)
Geniposide

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S2411

>  <Synonyms> (942)
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>  <Target> (942)
Others

>  <Form> (942)
Free Base

>  <URL> (942)
http://www.selleckchem.com/products/geniposide.html

>  <CAS Number> (942)
24512-63-8

>  <Plate Location> (942)
b2

>  <Rack Number> (942)
L1700-11

$$$$
Geniposidic acid.cdx
csChFnd80/04011511122D

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>  <Item Name> (943)
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>  <Synonyms> (943)
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>  <Target> (943)
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>  <Form> (943)
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>  <URL> (943)
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>  <CAS Number> (943)
27741-01-1

>  <Plate Location> (943)
d2

>  <Rack Number> (943)
L1700-11

$$$$
Gliclazide.cdx
csChFnd80/04011511122D

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944

>  <Formula> (944)
C15H21N3O3S

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>  <Item Name> (944)
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>  <Synonyms> (944)
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>  <Target> (944)
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>  <CAS Number> (944)
21187-98-4

>  <Plate Location> (944)
b6

>  <Rack Number> (944)
L1700-12

$$$$
Idebenone.cdx
csChFnd80/04011511122D

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945

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C19H30O5

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338.4385

>  <Item Name> (945)
Idebenone

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>  <Target> (945)
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>  <URL> (945)
http://www.selleckchem.com/products/idebenone.html

>  <CAS Number> (945)
58186-27-9

>  <Plate Location> (945)
f6

>  <Rack Number> (945)
L1700-12

$$$$
Paeoniflorin.cdx
csChFnd80/04011511122D

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>  <Target> (946)
Others

>  <Form> (946)
Free Base

>  <URL> (946)
http://www.selleckchem.com/products/paeoniflorin.html

>  <CAS Number> (946)
23180-57-6 

>  <Plate Location> (946)
a2

>  <Rack Number> (946)
L1700-11

$$$$
Quinapril hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (947)
947

>  <Formula> (947)
C25H31ClN2O5

>  <MolWeight> (947)
474.97704

>  <Item Name> (947)
Quinapril hydrochloride (Accupril)

>  <Catalog Number> (947)
S2581

>  <Synonyms> (947)
N/A 

>  <Target> (947)
RAAS

>  <Form> (947)
Hydrochloride

>  <URL> (947)
http://www.selleckchem.com/products/quinapril-hydrochloride-accupril.html

>  <CAS Number> (947)
82586-55-8

>  <Plate Location> (947)
g4

>  <Rack Number> (947)
L1700-12

$$$$
Scopine hydrochloride.cdx
csChFnd80/04011511122D

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948

>  <Formula> (948)
C8H14ClNO2

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>  <Item Name> (948)
Scopine HCl

>  <Catalog Number> (948)
S2548

>  <Synonyms> (948)
N/A

>  <Target> (948)
Others

>  <Form> (948)
Hydrochloride

>  <URL> (948)
http://www.selleckchem.com/products/scopine-hcl.html

>  <CAS Number> (948)
85700-55-6

>  <Plate Location> (948)
a2

>  <Rack Number> (948)
L1700-12

$$$$
Scopine.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (949)
949

>  <Formula> (949)
C8H13NO2

>  <MolWeight> (949)
155.19432

>  <Item Name> (949)
Scopine

>  <Catalog Number> (949)
S2545

>  <Synonyms> (949)
N/A

>  <Target> (949)
Others

>  <Form> (949)
Free Base

>  <URL> (949)
http://www.selleckchem.com/products/scopine.html

>  <CAS Number> (949)
498-45-3

>  <Plate Location> (949)
g1

>  <Rack Number> (949)
L1700-12

$$$$
Atracurium besylate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (950)
950

>  <Formula> (950)
C65H82N2O18S2

>  <MolWeight> (950)
1243.47918

>  <Item Name> (950)
Atracurium besylate

>  <Catalog Number> (950)
S1832

>  <Synonyms> (950)
N/A

>  <Target> (950)
Others

>  <Form> (950)
Besylate

>  <URL> (950)
http://www.selleckchem.com/products/atracurium-besylate.html

>  <CAS Number> (950)
64228-81-5

>  <Plate Location> (950)
c2

>  <Rack Number> (950)
L1700-07

$$$$
Captopril.cdx
csChFnd80/04011511122D

 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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    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  1  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
    1.4000    3.6373    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
    3.5000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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  2  9  1  0  0  0  0
M  END
>  <Mol_ID> (951)
951

>  <Formula> (951)
C9H15NO3S

>  <MolWeight> (951)
217.2853

>  <Item Name> (951)
Captopril (Capoten)

>  <Catalog Number> (951)
S2051

>  <Synonyms> (951)
N/A 

>  <Target> (951)
RAAS

>  <Form> (951)
Free Base

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

>  <CAS Number> (951)
62571-86-2

>  <Plate Location> (951)
d5

>  <Rack Number> (951)
L1700-08

$$$$
Cyproheptadine hydrochloride.cdx
csChFnd80/04011511122D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.9370    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (952)
952

>  <Formula> (952)
C21H22ClN

>  <MolWeight> (952)
323.85908

>  <Item Name> (952)
Cyproheptadine hydrochloride (Periactin)

>  <Catalog Number> (952)
S2044

>  <Synonyms> (952)
N/A 

>  <Target> (952)
Histamine Receptor

>  <Form> (952)
Hydrochloride

>  <URL> (952)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride-periactin.html

>  <CAS Number> (952)
969-33-5 

>  <Plate Location> (952)
h4

>  <Rack Number> (952)
L1700-08

$$$$
Cyproterone acetate.cdx
csChFnd80/04011511122D

 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
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    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
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   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
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   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
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  3  4  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  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
 10 21  1  6  0  0  0
 11 22  1  6  0  0  0
  5 23  1  1  0  0  0
  9 24  1  1  0  0  0
 12 25  1  1  0  0  0
 17 26  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 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> (953)
953

>  <Formula> (953)
C24H29ClO4

>  <MolWeight> (953)
416.93766

>  <Item Name> (953)
Cyproterone acetate

>  <Catalog Number> (953)
S2042

>  <Synonyms> (953)
N/A

>  <Target> (953)
Androgen Receptor/P450

>  <Form> (953)
Acetate

>  <URL> (953)
http://www.selleckchem.com/products/cyproterone-acetate.html

>  <CAS Number> (953)
427-51-0

>  <Plate Location> (953)
f4

>  <Rack Number> (953)
L1700-08

$$$$
Cytidine.cdx
csChFnd80/04011511122D

 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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    9.0120    5.7531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.5675    2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612    0.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9073    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
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  6  1  1  0  0  0  0
  1  7  2  0  0  0  0
  5  8  1  0  0  0  0
  9  2  1  1  0  0  0
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 10 11  1  0  0  0  0
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 13  9  1  0  0  0  0
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 12 15  1  6  0  0  0
 13 16  1  6  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (954)
954

>  <Formula> (954)
C9H13N3O5

>  <MolWeight> (954)
243.21662

>  <Item Name> (954)
Cytidine

>  <Catalog Number> (954)
S2053

>  <Synonyms> (954)
N/A

>  <Target> (954)
Others

>  <Form> (954)
Free Base

>  <URL> (954)
http://www.selleckchem.com/products/cytidine.html

>  <CAS Number> (954)
65-46-3

>  <Plate Location> (954)
e5

>  <Rack Number> (954)
L1700-08

$$$$
Doxifluridine.cdx
csChFnd80/04011511122D

 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
    2.4207    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
    2.4207    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    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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    4.9877    5.5850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4446    4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9509    6.5186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245    7.1506    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
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  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  5  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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 12 15  1  1  0  0  0
 14 16  1  6  0  0  0
 13 17  1  6  0  0  0
M  END
>  <Mol_ID> (955)
955

>  <Formula> (955)
C9H11FN2O5

>  <MolWeight> (955)
246.1924432

>  <Item Name> (955)
Doxifluridine

>  <Catalog Number> (955)
S2045

>  <Synonyms> (955)
N/A

>  <Target> (955)
Others

>  <Form> (955)
Free Base

>  <URL> (955)
http://www.selleckchem.com/products/doxifluridine.html

>  <CAS Number> (955)
3094-09-5

>  <Plate Location> (955)
a5

>  <Rack Number> (955)
L1700-08

$$$$
Gimeracil.cdx
csChFnd80/04011511122D

  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
    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
    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
  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  2  0  0  0  0
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  1  8  1  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (956)
956

>  <Formula> (956)
C5H4ClNO2

>  <MolWeight> (956)
145.54376

>  <Item Name> (956)
Gimeracil

>  <Catalog Number> (956)
S2055

>  <Synonyms> (956)
N/A

>  <Target> (956)
Dehydrogenase

>  <Form> (956)
Free Base

>  <URL> (956)
http://www.selleckchem.com/products/gimeracil.html

>  <CAS Number> (956)
103766-25-2

>  <Plate Location> (956)
g5

>  <Rack Number> (956)
L1700-08

$$$$
Lornoxicam.cdx
csChFnd80/04011511122D

 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
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    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
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    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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   12.0282    2.6124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    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
  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  3  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13  2  2  0  0  0  0
 11 14  1  0  0  0  0
 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> (957)
957

>  <Formula> (957)
C13H10ClN3O4S2

>  <MolWeight> (957)
371.8192

>  <Item Name> (957)
Lornoxicam (Xefo)

>  <Catalog Number> (957)
S2047

>  <Synonyms> (957)
N/A 

>  <Target> (957)
Others

>  <Form> (957)
Free Base

>  <URL> (957)
http://www.selleckchem.com/products/lornoxicam-xefo.html

>  <CAS Number> (957)
70374-39-9

>  <Plate Location> (957)
c5

>  <Rack Number> (957)
L1700-08

$$$$
Memantine HCl.cdx
csChFnd80/04011511122D

 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
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  2  8  1  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
  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> (958)
958

>  <Formula> (958)
C12H22ClN

>  <MolWeight> (958)
215.76278

>  <Item Name> (958)
Memantine hydrochloride (Namenda)

>  <Catalog Number> (958)
S2043

>  <Synonyms> (958)
N/A 

>  <Target> (958)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (958)
Hydrochloride

>  <URL> (958)
http://www.selleckchem.com/products/memantine-hydrochloride-namenda.html

>  <CAS Number> (958)
41100-52-1

>  <Plate Location> (958)
g4

>  <Rack Number> (958)
L1700-08

$$$$
Metoprolol tartrate.cdx
csChFnd80/04011511122D

 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
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   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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   12.0259   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5284   10.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.7304   12.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   18.3214   10.1215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9224    3.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3214    3.9659    0.0000 N   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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 31 36  1  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> (959)
959

>  <Formula> (959)
C34H56N2O12

>  <MolWeight> (959)
684.81464

>  <Item Name> (959)
Metoprolol tartrate

>  <Catalog Number> (959)
S1856

>  <Synonyms> (959)
N/A

>  <Target> (959)
Adrenergic Receptor

>  <Form> (959)
Tartrate

>  <URL> (959)
http://www.selleckchem.com/products/metoprolol-tartrate.html

>  <CAS Number> (959)
392-17-7

>  <Plate Location> (959)
h3

>  <Rack Number> (959)
L1700-07

$$$$
Nimesulide.cdx
csChFnd80/04011511122D

 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
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    1.2124    6.9879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100    8.1961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  3 14  1  0  0  0  0
  9 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  9  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (960)
960

>  <Formula> (960)
C13H12N2O5S

>  <MolWeight> (960)
308.30978

>  <Item Name> (960)
Nimesulide

>  <Catalog Number> (960)
S2040

>  <Synonyms> (960)
N/A

>  <Target> (960)
Others

>  <Form> (960)
Free Base

>  <URL> (960)
http://www.selleckchem.com/products/nimesulide.html

>  <CAS Number> (960)
51803-78-2

>  <Plate Location> (960)
d4

>  <Rack Number> (960)
L1700-08

$$$$
Noradrenaline bitartrate.cdx
csChFnd80/04011511122D

 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
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   11.6082    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
   15.9371    3.4583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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
  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> (961)
961

>  <Formula> (961)
C12H19NO10

>  <MolWeight> (961)
337.27996

>  <Item Name> (961)
Noradrenaline bitartrate monohydrate (Levoph

>  <Catalog Number> (961)
S2615

>  <Synonyms> (961)
N/A 

>  <Target> (961)
Others

>  <Form> (961)
Monohydrate

>  <URL> (961)
http://www.selleckchem.com/products/noradrenaline-bitartrate-monohydrate-levophed.html

>  <CAS Number> (961)
108341-18-0

>  <Plate Location> (961)
f7

>  <Rack Number> (961)
L1700-12

$$$$
Orphenadrine citrate.cdx
csChFnd80/04011511122D

 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
   15.4092    5.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (962)
962

>  <Formula> (962)
C24H31NO8

>  <MolWeight> (962)
461.50484

>  <Item Name> (962)
Orphenadrine citrate (Norflex)

>  <Catalog Number> (962)
S2054

>  <Synonyms> (962)
N/A 

>  <Target> (962)
AChR

>  <Form> (962)
Citrate

>  <URL> (962)
http://www.selleckchem.com/products/orphenadrine-citrate-norflex.html

>  <CAS Number> (962)
4682-36-4

>  <Plate Location> (962)
f5

>  <Rack Number> (962)
L1700-08

$$$$
Pioglitazone hydrochloride.cdx
csChFnd80/04011511122D

 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
   18.1188    4.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6251    2.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4783    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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> (963)
963

>  <Formula> (963)
C19H21ClN2O3S

>  <MolWeight> (963)
392.89964

>  <Item Name> (963)
Pioglitazone hydrochloride (Actos)

>  <Catalog Number> (963)
S2046

>  <Synonyms> (963)
N/A 

>  <Target> (963)
Others

>  <Form> (963)
Hydrochloride

>  <URL> (963)
http://www.selleckchem.com/products/pioglitazone-hydrochloride-actos.html

>  <CAS Number> (963)
112529-15-4

>  <Plate Location> (963)
b5

>  <Rack Number> (963)
L1700-08

$$$$
Pramiracetam.cdx
csChFnd80/04011511122D

 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> (964)
964

>  <Formula> (964)
C14H27N3O2

>  <MolWeight> (964)
269.38308

>  <Item Name> (964)
Pramiracetam

>  <Catalog Number> (964)
S2594

>  <Synonyms> (964)
N/A

>  <Target> (964)
Others

>  <Form> (964)
Free Base

>  <URL> (964)
http://www.selleckchem.com/products/pramiracetam.html

>  <CAS Number> (964)
68497-62-1

>  <Plate Location> (964)
g5

>  <Rack Number> (964)
L1700-12

$$$$
TZ-3 (tioconazole)cdx.cdx
csChFnd80/04011511122D

 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
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    8.4032    4.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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 18 19  1  0  0  0  0
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 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> (965)
965

>  <Formula> (965)
C16H13Cl3N2OS

>  <MolWeight> (965)
387.71122

>  <Item Name> (965)
Tioconazole

>  <Catalog Number> (965)
S1910

>  <Synonyms> (965)
N/A

>  <Target> (965)
Others

>  <Form> (965)
Free Base

>  <URL> (965)
http://www.selleckchem.com/products/tioconazole.html

>  <CAS Number> (965)
65899-73-2

>  <Plate Location> (965)
e7

>  <Rack Number> (965)
L1700-07

$$$$
Valaciclovir hydrochloride.cdx
csChFnd80/04011511122D

 24 24  0  0  0  0  0  0  0  0999 V2000
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    1.2124    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
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  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
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 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> (966)
966

>  <Formula> (966)
C13H21ClN6O4

>  <MolWeight> (966)
360.79664

>  <Item Name> (966)
Valaciclovir HCl

>  <Catalog Number> (966)
S1876

>  <Synonyms> (966)
N/A

>  <Target> (966)
Others

>  <Form> (966)
Hydrochloride

>  <URL> (966)
http://www.selleckchem.com/products/valaciclovir-hcl.html

>  <CAS Number> (966)
124832-27-5 

>  <Plate Location> (966)
e4

>  <Rack Number> (966)
L1700-07

$$$$

csChFnd80/04011511122D

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   13.7118   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (967)
967

>  <Formula> (967)
C58H66O15S2

>  <MolWeight> (967)
1067.26564

>  <Item Name> (967)
TAK-875

>  <Catalog Number> (967)
S2637

>  <Synonyms> (967)
N/A

>  <Target> (967)
GPR 

>  <Form> (967)
Hydrate

>  <URL> (967)
http://www.selleckchem.com/products/tak-875.html

>  <CAS Number> (967)
1374598-80-7

>  <Plate Location> (967)
a10

>  <Rack Number> (967)
L1700-12

$$$$
AMG 458.cdx
csChFnd80/04011511122D

 40 44  0  0  0  0  0  0  0  0999 V2000
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c-Met

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913376-83-7 

>  <Plate Location> (968)
g6

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L1700-13

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969

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Anacetrapib (MK-0859)

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S2748

>  <Synonyms> (969)
N/A 

>  <Target> (969)
CETP

>  <Form> (969)
Free Base

>  <URL> (969)
http://www.selleckchem.com/products/anacetrapib-mk-0859.html

>  <CAS Number> (969)
875446-37-0

>  <Plate Location> (969)
h6

>  <Rack Number> (969)
L1700-13

$$$$
Arry-380.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (970)
970

>  <Formula> (970)
C29H27N7O4S

>  <MolWeight> (970)
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>  <Item Name> (970)
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>  <Catalog Number> (970)
S2752 

>  <Synonyms> (970)
N/A

>  <Target> (970)
HER2, EGFR

>  <Form> (970)
Free Base

>  <URL> (970)
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>  <CAS Number> (970)
937265-83-3

>  <Plate Location> (970)
d7

>  <Rack Number> (970)
L1700-13

$$$$
PHA-848125.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (971)
971

>  <Formula> (971)
C25H32N8O

>  <MolWeight> (971)
460.57458

>  <Item Name> (971)
PHA-848125

>  <Catalog Number> (971)
S2751

>  <Synonyms> (971)
N/A

>  <Target> (971)
CDK

>  <Form> (971)
Free Base

>  <URL> (971)
http://www.selleckchem.com/products/pha-848125.html

>  <CAS Number> (971)
802539-81-7

>  <Plate Location> (971)
c7

>  <Rack Number> (971)
L1700-13

$$$$
Acetylcholine chloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (972)
972

>  <Formula> (972)
C7H16ClNO2

>  <MolWeight> (972)
181.66044

>  <Item Name> (972)
Acetylcholine chloride

>  <Catalog Number> (972)
S1805

>  <Synonyms> (972)
N/A

>  <Form> (972)
Chloride

>  <URL> (972)
http://www.selleckchem.com/products/Acetylcholine-chloride.html

>  <CAS Number> (972)
60-31-1 

>  <Plate Location> (972)
g11

>  <Rack Number> (972)
L1700-06

$$$$
PENETREX (enoxacin).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (973)
973

>  <Formula> (973)
C15H17FN4O3

>  <MolWeight> (973)
320.3188832

>  <Item Name> (973)
Enoxacin (Penetrex)

>  <Catalog Number> (973)
S1756

>  <Synonyms> (973)
Almitil, Bactidan, Bactidron, Comprecin, Enoksetin, Enoxen, Enroxil, Enoxin, Enoxor, Flumark, Gyrami 

>  <Target> (973)
Others

>  <Form> (973)
Free Base

>  <URL> (973)
http://www.selleckchem.com/products/Enoxacin(Penetrex).html

>  <CAS Number> (973)
74011-58-8

>  <Plate Location> (973)
f8

>  <Rack Number> (973)
L1700-06

$$$$
CAPITAL SOLEIL 15 (avobenzone ).cdx
csChFnd80/04011511122D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (974)
974

>  <Formula> (974)
C20H22O3

>  <MolWeight> (974)
310.38688

>  <Item Name> (974)
Avobenzone (Parsol 1789)

>  <Catalog Number> (974)
S1904

>  <Synonyms> (974)
Eusolex 9020, Escalol 517, Parsol 1789 

>  <Target> (974)
Others

>  <Form> (974)
Free Base

>  <URL> (974)
http://www.selleckchem.com/products/Avobenzone(Parsol-1789).html

>  <CAS Number> (974)
70356-09-1

>  <Plate Location> (974)
h6

>  <Rack Number> (974)
L1700-07

$$$$
AT13387.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (975)
975

>  <Formula> (975)
C24H31N3O3

>  <MolWeight> (975)
409.52124

>  <Item Name> (975)
AT13387

>  <Catalog Number> (975)
S1163

>  <Synonyms> (975)
N/A

>  <Target> (975)
HSP

>  <Form> (975)
Free Base

>  <URL> (975)
http://www.selleckchem.com/products/at13387.html

>  <CAS Number> (975)
912999-49-6

>  <Plate Location> (975)
g5

>  <Rack Number> (975)
L1700-02

$$$$
AZ628.cdx
csChFnd80/04011511122D

 34 37  0  0  0  0  0  0  0  0999 V2000
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Dehydrogenase

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d5

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L1700-02

$$$$
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>  <Synonyms> (981)
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>  <Target> (981)
PI3K, mTOR

>  <Form> (981)
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>  <URL> (981)
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>  <CAS Number> (981)
1245537-68-1

>  <Plate Location> (981)
a7

>  <Rack Number> (981)
L1700-13

$$$$
PA-824.cdx
csChFnd80/04011511122D

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982

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PA-824

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N/A

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Others

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Free Base

>  <URL> (982)
http://www.selleckchem.com/products/pa-824.html

>  <CAS Number> (982)
187235-37-6

>  <Plate Location> (982)
f5

>  <Rack Number> (982)
L1700-02

$$$$
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>  <Target> (983)
PI3K 

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>  <URL> (983)
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371942-69-7

>  <Plate Location> (983)
g11

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L1700-02

$$$$
AG1024.cdx
csChFnd80/04011511122D

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984

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C14H13BrN2O

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AG-1024 

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S1234

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N/A 

>  <Target> (984)
IGF-1R

>  <Form> (984)
Free Base

>  <URL> (984)
http://www.selleckchem.com/products/ag-1024-tyrphostin.html

>  <CAS Number> (984)
65678-07-1

>  <Plate Location> (984)
d2

>  <Rack Number> (984)
L1700-03

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/04011511122D

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985

>  <Formula> (985)
C25H30ClI2NO3

>  <MolWeight> (985)
681.77254

>  <Item Name> (985)
Amiodarone HCl

>  <Catalog Number> (985)
S1979 

>  <Synonyms> (985)
N/A

>  <Target> (985)
Potassium Channel

>  <Form> (985)
Hydrochloride

>  <URL> (985)
http://www.selleckchem.com/products/amiodarone-hcl.html

>  <CAS Number> (985)
19774-82-4

>  <Plate Location> (985)
e11

>  <Rack Number> (985)
L1700-07

$$$$
Pefloxacine mesylate.cdx
csChFnd80/04011511122D

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>  <MolWeight> (986)
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>  <Item Name> (986)
Pefloxacin mesylate

>  <Catalog Number> (986)
S1855 

>  <Synonyms> (986)
N/A

>  <Target> (986)
Others

>  <Form> (986)
Mesylate

>  <URL> (986)
http://www.selleckchem.com/products/pefloxacin-mesylate.html

>  <CAS Number> (986)
70458-95-6

>  <Plate Location> (986)
g3

>  <Rack Number> (986)
L1700-07

$$$$
KW-2478.cdx
csChFnd80/04011511122D

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987

>  <Formula> (987)
C30H42N2O9

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KW-2478

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S2685

>  <Synonyms> (987)
N/A

>  <Target> (987)
HSP

>  <Form> (987)
Free Base

>  <URL> (987)
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819812-04-9

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b2

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3-Methyladenine.cdx
csChFnd80/04011511122D

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3-MA

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PI3K

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5142-23-4

>  <Plate Location> (988)
c8

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L1700-13

$$$$
BX-795.cdx
csChFnd80/04011511122D

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989

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702675-74-9

>  <Plate Location> (989)
d5

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L1700-03

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BX-912.cdx
csChFnd80/04011511122D

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990

>  <Formula> (990)
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702674-56-4

>  <Plate Location> (990)
e5

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L1700-03

$$$$
CEP-18770.cdx
csChFnd80/04011511122D

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Proteasome

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c5

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L1700-02

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M  END
>  <Mol_ID> (997)
997

>  <Formula> (997)
C24H25FO5S

>  <MolWeight> (997)
444.5157032

>  <Item Name> (997)
Canagliflozin

>  <Catalog Number> (997)
S2760 

>  <Synonyms> (997)
N/A

>  <Target> (997)
SGLT 

>  <Form> (997)
Free Base

>  <URL> (997)
http://www.selleckchem.com/products/canagliflozin.html

>  <CAS Number> (997)
842133-18-0

>  <Plate Location> (997)
h7

>  <Rack Number> (997)
L1700-13

$$$$
CUDC-907.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (998)
998

>  <Formula> (998)
C23H24N8O4S

>  <MolWeight> (998)
508.55286

>  <Item Name> (998)
CUDC-907

>  <Catalog Number> (998)
S2759 

>  <Synonyms> (998)
N/A

>  <Target> (998)
HDAC, PI3K

>  <Form> (998)
Free Base

>  <URL> (998)
http://www.selleckchem.com/products/cudc-907.html

>  <CAS Number> (998)
1339928-25-4

>  <Plate Location> (998)
g7

>  <Rack Number> (998)
L1700-13

$$$$

csChFnd80/04011511122D

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M  END
>  <Mol_ID> (999)
999

>  <Formula> (999)
C27H33FN6O7

>  <MolWeight> (999)
572.5853232

>  <Item Name> (999)
Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Catalog Number> (999)
S2769 

>  <Synonyms> (999)
CHIR-258 Dilactic acid 

>  <Target> (999)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (999)
Dilactic Acid 

>  <URL> (999)
http://www.selleckchem.com/products/dovitinib.html

>  <CAS Number> (999)
852433-84-2

>  <Plate Location> (999)
e8

>  <Rack Number> (999)
L1700-13

$$$$
AST-1306.cdx
csChFnd80/04011511122D

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L1700-13

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csChFnd80/04011511122D

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S2775

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N/A 

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Microtubule Associated

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Free Base

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31430-18-9

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b9

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L1700-13

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>  <CAS Number> (1,006)
95809-78-2

>  <Plate Location> (1,006)
c9

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L1700-13

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1373615-35-0

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L1700-13

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csChFnd80/04011511122D

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>  <URL> (1,008)
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>  <CAS Number> (1,008)
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e9

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248281-84-7

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$$$$
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csChFnd80/04011511122D

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477600-75-2

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f10

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$$$$
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g10

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csChFnd80/04011511122D

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ATPase

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41621-49-2

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c2

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d2

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csChFnd80/04011511122D

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Cannabinoid Receptor 

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e2

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csChFnd80/04011511122D

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>  <Target> (1,026)
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>  <URL> (1,026)
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10083-24-6

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b3

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Sotrastaurin£¨AEB071£©.cdx
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PKC 

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>  <URL> (1,027)
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>  <CAS Number> (1,027)
425637-18-9

>  <Plate Location> (1,027)
h10

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L1700-13

$$$$
Lonafarnib.cdx
csChFnd80/04011511122D

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g2

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20-Hydroxyecdysone

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N/A 

>  <Target> (1,030)
Others

>  <Form> (1,030)
Free Base

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http://www.selleckchem.com/products/20-hydroxyecdysone.html

>  <CAS Number> (1,030)
5289-74-7

>  <Plate Location> (1,030)
f2

>  <Rack Number> (1,030)
L1700-11

$$$$
Synephrine hydrochloride.cdx
csChFnd80/04011511122D

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C9H14ClNO2

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Synephrine HCl

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S2438 

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N/A 

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>  <URL> (1,031)
http://www.selleckchem.com/products/synephrine-hcl.html

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5985-28-4

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c3

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L1700-11

$$$$
Sirtinol.cdx
csChFnd80/04011511122D

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C26H22N2O2

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>  <Item Name> (1,032)
Sirtinol

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N/A 

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Sirtuin 

>  <Form> (1,032)
Free Base

>  <URL> (1,032)
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>  <CAS Number> (1,032)
410536-97-9

>  <Plate Location> (1,032)
h11

>  <Rack Number> (1,032)
L1700-13

$$$$
Bindarit.cdx
csChFnd80/04011511122D

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1033

>  <Formula> (1,033)
C19H20N2O3

>  <MolWeight> (1,033)
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>  <Item Name> (1,033)
Bindarit

>  <Catalog Number> (1,033)
S3032 

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N/A 

>  <Target> (1,033)
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>  <URL> (1,033)
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>  <CAS Number> (1,033)
130641-38-2

>  <Plate Location> (1,033)
d3

>  <Rack Number> (1,033)
L1700-15

$$$$
VU 0357121.cdx
csChFnd80/04011511122D

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GluR 

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>  <URL> (1,034)
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>  <CAS Number> (1,034)
433967-28-3

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c11

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L1700-13

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VN124-1£¨TOK-001£©.cdx
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M  END
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C26H32N2O

>  <MolWeight> (1,035)
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Galeterone (TOK-001)

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S2803

>  <Synonyms> (1,035)
VN124-1 

>  <Target> (1,035)
Androgen Receptor, P450

>  <Form> (1,035)
Free Base

>  <URL> (1,035)
http://www.selleckchem.com/products/galeterone-tok-001.html

>  <CAS Number> (1,035)
851983-85-2

>  <Plate Location> (1,035)
g11

>  <Rack Number> (1,035)
L1700-13

$$$$
NVP-AEW541.cdx
csChFnd80/04011511122D

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M  END
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1036

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C27H29N5O

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439.55206

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NVP-AEW541

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S1034

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AEW541 

>  <Target> (1,036)
IGF-1R

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Free Base

>  <URL> (1,036)
http://www.selleckchem.com/products/NVP-AEW541.html

>  <CAS Number> (1,036)
475489-16-8 

>  <Plate Location> (1,036)
c4

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L1700-01

$$$$
Aminoglutethimide .cdx
csChFnd80/04011511122D

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1037

>  <Formula> (1,037)
C13H16N2O2

>  <MolWeight> (1,037)
232.27834

>  <Item Name> (1,037)
Aminoglutethimide (Cytadren)

>  <Catalog Number> (1,037)
S1672

>  <Synonyms> (1,037)
N/A

>  <Target> (1,037)
Aromatase

>  <Form> (1,037)
Free Base

>  <URL> (1,037)
http://www.selleckchem.com/products/Aminoglutethimide(Cytadren).html

>  <CAS Number> (1,037)
125-84-8

>  <Plate Location> (1,037)
d2

>  <Rack Number> (1,037)
L1700-06

$$$$
Atazanavir Sulfate.cdx
csChFnd80/04011511122D

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1038

>  <Formula> (1,038)
C38H54N6O11S

>  <MolWeight> (1,038)
802.93396

>  <Item Name> (1,038)
Atazanavir sulfate

>  <Catalog Number> (1,038)
S1457

>  <Synonyms> (1,038)
BMS-232632-05, Reyataz 

>  <Target> (1,038)
HIV Protease

>  <Form> (1,038)
Sulfate

>  <URL> (1,038)
http://www.selleckchem.com/products/Atazanavir.html

>  <CAS Number> (1,038)
229975-97-7

>  <Plate Location> (1,038)
f7

>  <Rack Number> (1,038)
L1700-04

$$$$
AZD4547.cdx
csChFnd80/04011511122D

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    2.0927    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6830    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3806    4.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7757    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4757    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8757    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5757    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8757    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4757    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7781    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
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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  4 11  1  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
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,048)
1048

>  <Formula> (1,048)
C15H15N3O2

>  <MolWeight> (1,048)
269.2985

>  <Item Name> (1,048)
CI994 (Tacedinaline)

>  <Catalog Number> (1,048)
S2818 

>  <Synonyms> (1,048)
PD-123654 

>  <Target> (1,048)
HDAC

>  <Form> (1,048)
Free Base

>  <URL> (1,048)
http://www.selleckchem.com/products/ci994-tacedinaline.html

>  <CAS Number> (1,048)
112522-64-2

>  <Plate Location> (1,048)
c2

>  <Rack Number> (1,048)
L1700-14

$$$$
Pravastatin sodium.cdx
csChFnd80/04011511122D

 32 32  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  1  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  2  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    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
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    7.2620    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.7976    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
    4.8371    4.1951    0.0000 O   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
    2.4165    4.1976    0.0000 C   0  0  1  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    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.2903    0.0000 O   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
    9.6869    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.2024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3158    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    4.9024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.7364    6.3024    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.6969    3.2101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.8073    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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 10  5  1  0  0  0  0
  2 11  1  1  0  0  0
  5 12  1  1  0  0  0
  9 13  1  1  0  0  0
 10 14  1  1  0  0  0
  6 15  1  6  0  0  0
 15 16  1  0  0  0  0
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 17 19  1  0  0  0  0
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 25 32  1  6  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,049)
1049

>  <Formula> (1,049)
C23H35NaO7

>  <MolWeight> (1,049)
446.50957

>  <Item Name> (1,049)
Pravastatin sodium

>  <Catalog Number> (1,049)
S3036

>  <Synonyms> (1,049)
Selektine 

>  <Target> (1,049)
HMG-CoA Reductase

>  <Form> (1,049)
Free Base

>  <URL> (1,049)
http://www.selleckchem.com/products/pravastatin-pravachol.html

>  <CAS Number> (1,049)
81131-70-6

>  <Plate Location> (1,049)
h3

>  <Rack Number> (1,049)
L1700-15

$$$$
Daunomycin HCL.cdx
csChFnd80/04011511122D

 40 43  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.8292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.9292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6373    2.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.1316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3371    3.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9895    3.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3237    2.4904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1201   10.4219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9077   12.5170    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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 33 38  1  1  0  0  0
 32 39  1  1  0  0  0
M  END
>  <Mol_ID> (1,050)
1050

>  <Formula> (1,050)
C27H30ClNO10

>  <MolWeight> (1,050)
563.9808

>  <Item Name> (1,050)
Daunorubicin HCl (Daunomycin HCl)

>  <Catalog Number> (1,050)
S3035

>  <Synonyms> (1,050)
N/A 

>  <Target> (1,050)
Telomerase

>  <Form> (1,050)
Hydrochloride

>  <URL> (1,050)
http://www.selleckchem.com/products/daunorubicin-hcl-daunomycin-hcl.html

>  <CAS Number> (1,050)
23541-50-6

>  <Plate Location> (1,050)
g3

>  <Rack Number> (1,050)
L1700-15

$$$$
NVP-TAE226.cdx
csChFnd80/04011511122D

 33 36  0  0  0  0  0  0  0  0999 V2000
    3.6331    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> (1,051)
1051

>  <Formula> (1,051)
C23H25ClN6O3

>  <MolWeight> (1,051)
468.936

>  <Item Name> (1,051)
NVP-TAE226

>  <Catalog Number> (1,051)
S2820

>  <Synonyms> (1,051)
N/A 

>  <Target> (1,051)
FAK

>  <Form> (1,051)
Free Base

>  <URL> (1,051)
http://www.selleckchem.com/products/nvp-tae226.html

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761437-28-9

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M  END
>  <Mol_ID> (1,057)
1057

>  <Formula> (1,057)
C13H10N2O4

>  <MolWeight> (1,057)
258.2295

>  <Item Name> (1,057)
Thalidomide

>  <Catalog Number> (1,057)
S1193

>  <Synonyms> (1,057)
Thalomid 

>  <Target> (1,057)
Others

>  <Form> (1,057)
Free Base

>  <URL> (1,057)
http://www.selleckchem.com/products/Thalidomide.html

>  <CAS Number> (1,057)
50-35-1

>  <Plate Location> (1,057)
a9

>  <Rack Number> (1,057)
L1700-02

$$$$
Finasteride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,058)
1058

>  <Formula> (1,058)
C23H36N2O2

>  <MolWeight> (1,058)
372.54414

>  <Item Name> (1,058)
Finasteride

>  <Catalog Number> (1,058)
S1197

>  <Synonyms> (1,058)
N/A 

>  <Target> (1,058)
5-alpha Reductase

>  <Form> (1,058)
Free Base

>  <URL> (1,058)
http://www.selleckchem.com/products/Finasteride.html

>  <CAS Number> (1,058)
98319-26-7

>  <Plate Location> (1,058)
e9

>  <Rack Number> (1,058)
L1700-02

$$$$
Bisoprolol Fumarate.cdx
csChFnd80/04011511122D

 31 30  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,059)
1059

>  <Formula> (1,059)
C22H35NO8

>  <MolWeight> (1,059)
441.5152

>  <Item Name> (1,059)
Bisoprolol

>  <Catalog Number> (1,059)
S1206

>  <Synonyms> (1,059)
Zebeta 

>  <Target> (1,059)
Adrenergic Receptor

>  <Form> (1,059)
Free Base

>  <URL> (1,059)
http://www.selleckchem.com/products/Bisoprolol-Fumarate.html

>  <CAS Number> (1,059)
104344-23-2

>  <Plate Location> (1,059)
e10

>  <Rack Number> (1,059)
L1700-02

$$$$
Dacarbazine.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,060)
1060

>  <Formula> (1,060)
C6H10N6O

>  <MolWeight> (1,060)
182.1832

>  <Item Name> (1,060)
Dacarbazine (DTIC-Dome)

>  <Catalog Number> (1,060)
S1221

>  <Synonyms> (1,060)
DTIC 

>  <Target> (1,060)
DNA/RNA Synthesis

>  <Form> (1,060)
Free Base

>  <URL> (1,060)
http://www.selleckchem.com/products/Dacarbazine.html

>  <CAS Number> (1,060)
4342-03-4

>  <Plate Location> (1,060)
a1

>  <Rack Number> (1,060)
L1700-03

$$$$
Entecavir hydrate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,061)
1061

>  <Formula> (1,061)
C12H17N5O4

>  <MolWeight> (1,061)
295.29448

>  <Item Name> (1,061)
Entecavir hydrate

>  <Catalog Number> (1,061)
S1252

>  <Synonyms> (1,061)
Baraclude 

>  <Target> (1,061)
Others

>  <Form> (1,061)
Hydrate

>  <URL> (1,061)
http://www.selleckchem.com/products/Entecavir.html

>  <CAS Number> (1,061)
209216-23-9

>  <Plate Location> (1,061)
g3

>  <Rack Number> (1,061)
L1700-03

$$$$
Rufinamide.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,062)
1062

>  <Formula> (1,062)
C10H8F2N4O

>  <MolWeight> (1,062)
238.1935264

>  <Item Name> (1,062)
Rufinamide (Banzel)

>  <Catalog Number> (1,062)
S1256

>  <Synonyms> (1,062)
Banzel 

>  <Target> (1,062)
Sodium Channel

>  <Form> (1,062)
Free Base

>  <URL> (1,062)
http://www.selleckchem.com/products/Rufinamide.html

>  <CAS Number> (1,062)
106308-44-5

>  <Plate Location> (1,062)
a4

>  <Rack Number> (1,062)
L1700-03

$$$$
Acarbose.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,063)
1063

>  <Formula> (1,063)
C25H43NO18

>  <MolWeight> (1,063)
645.60482

>  <Item Name> (1,063)
Acarbose

>  <Catalog Number> (1,063)
S1271

>  <Synonyms> (1,063)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (1,063)
Others

>  <Form> (1,063)
Free Base

>  <URL> (1,063)
http://www.selleckchem.com/products/Acarbose.html

>  <CAS Number> (1,063)
56180-94-0

>  <Plate Location> (1,063)
c5

>  <Rack Number> (1,063)
L1700-03

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/04011511122D

 17 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
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    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,064)
1064

>  <Formula> (1,064)
C14H22N2O

>  <MolWeight> (1,064)
234.33728

>  <Item Name> (1,064)
Lidocaine (Alphacaine)

>  <Catalog Number> (1,064)
S1357

>  <Synonyms> (1,064)
Alphacaine, Xylocaine, lignocaine

>  <Target> (1,064)
Histamine Receptor

>  <Form> (1,064)
Free Base

>  <URL> (1,064)
http://www.selleckchem.com/products/Lidocaine.html

>  <CAS Number> (1,064)
137-58-6

>  <Plate Location> (1,064)
a11

>  <Rack Number> (1,064)
L1700-03

$$$$

csChFnd80/04011511122D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,065)
1065

>  <Formula> (1,065)
C19H24BrNO5S2

>  <MolWeight> (1,065)
490.43156

>  <Item Name> (1,065)
Tiotropium Bromide hydrate

>  <Catalog Number> (1,065)
S2547

>  <Synonyms> (1,065)
N/A 

>  <Target> (1,065)
AChR

>  <Form> (1,065)
Hydrate

>  <URL> (1,065)
http://www.selleckchem.com/products/Tiotropium-Bromide-hydrate.html

>  <CAS Number> (1,065)
139404-48-1

>  <Plate Location> (1,065)
h1

>  <Rack Number> (1,065)
L1700-12

$$$$
Tioxolone.cdx
csChFnd80/04011511122D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,066)
1066

>  <Formula> (1,066)
C7H4O3S

>  <MolWeight> (1,066)
168.16986

>  <Item Name> (1,066)
Tioxolone

>  <Catalog Number> (1,066)
S2603

>  <Synonyms> (1,066)
N/A 

>  <Target> (1,066)
Carbonic Anhydrase

>  <Form> (1,066)
Free Base

>  <URL> (1,066)
http://www.selleckchem.com/products/tioxolone.html

>  <CAS Number> (1,066)
4991-65-5

>  <Plate Location> (1,066)
d6

>  <Rack Number> (1,066)
L1700-12

$$$$
ADX47273.cdx
csChFnd80/04011511122D

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csChFnd80/04011511122D

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Trimethoprim

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S3129

>  <Synonyms> (1,073)
N/A 

>  <Target> (1,073)
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>  <Form> (1,073)
Free Base

>  <URL> (1,073)
http://www.selleckchem.com/products/trimethoprim.html

>  <CAS Number> (1,073)
738-70-5

>  <Plate Location> (1,073)
h8

>  <Rack Number> (1,073)
L1700-15

$$$$
Entacapone.cdx
csChFnd80/04011511122D

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1074

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C14H15N3O5

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>  <Item Name> (1,074)
Entacapone

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S3147 

>  <Synonyms> (1,074)
N/A 

>  <Target> (1,074)
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>  <Form> (1,074)
Free Base

>  <URL> (1,074)
http://www.selleckchem.com/products/entacapone.html

>  <CAS Number> (1,074)
130929-57-6

>  <Plate Location> (1,074)
b10

>  <Rack Number> (1,074)
L1700-15

$$$$
Estradiol Valerate.cdx
csChFnd80/04011511122D

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1075

>  <Formula> (1,075)
C23H32O3

>  <MolWeight> (1,075)
356.49838

>  <Item Name> (1,075)
Estradiol valerate

>  <Catalog Number> (1,075)
S3149

>  <Synonyms> (1,075)
N/A 

>  <Target> (1,075)
Estrogen/progestogen Receptor

>  <Form> (1,075)
Free Base

>  <URL> (1,075)
http://www.selleckchem.com/products/estradiol-valerate.html

>  <CAS Number> (1,075)
979-32-8

>  <Plate Location> (1,075)
c10

>  <Rack Number> (1,075)
L1700-15

$$$$
Articaine hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,076)
1076

>  <Formula> (1,076)
C13H21ClN2O3S

>  <MolWeight> (1,076)
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>  <Item Name> (1,076)
Articaine HCl

>  <Catalog Number> (1,076)
S3150

>  <Synonyms> (1,076)
N/A 

>  <Target> (1,076)
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>  <Form> (1,076)
HCl

>  <URL> (1,076)
http://www.selleckchem.com/products/articaine-hydrochloride.html

>  <CAS Number> (1,076)
23964-57-0

>  <Plate Location> (1,076)
d10

>  <Rack Number> (1,076)
L1700-15

$$$$
Gliquidone.cdx
csChFnd80/04011511122D

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 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> (1,077)
1077

>  <Formula> (1,077)
C27H33N3O6S

>  <MolWeight> (1,077)
527.63242

>  <Item Name> (1,077)
Gliquidone

>  <Catalog Number> (1,077)
S3151

>  <Synonyms> (1,077)
Glurenorm 

>  <Target> (1,077)
Others

>  <Form> (1,077)
Free Base

>  <URL> (1,077)
http://www.selleckchem.com/products/gliquidone.html

>  <CAS Number> (1,077)
33342-05-1

>  <Plate Location> (1,077)
e10

>  <Rack Number> (1,077)
L1700-15

$$$$
Butenafine Hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,078)
1078

>  <Formula> (1,078)
C23H28ClN

>  <MolWeight> (1,078)
353.92812

>  <Item Name> (1,078)
Butenafine HCl

>  <Catalog Number> (1,078)
S3154

>  <Synonyms> (1,078)
N/A 

>  <Target> (1,078)
Others

>  <Form> (1,078)
HCl

>  <URL> (1,078)
http://www.selleckchem.com/products/butenafine-hydrochloride.html

>  <CAS Number> (1,078)
101827-46-7

>  <Plate Location> (1,078)
f10

>  <Rack Number> (1,078)
L1700-15

$$$$
Mepivacaine hydrochloride.cdx
csChFnd80/04011511122D

 19 19  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.4510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 11 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,079)
1079

>  <Formula> (1,079)
C15H23ClN2O

>  <MolWeight> (1,079)
282.80892

>  <Item Name> (1,079)
Mepivacaine HCl

>  <Catalog Number> (1,079)
S3155

>  <Synonyms> (1,079)
N/A 

>  <Target> (1,079)
Others

>  <Form> (1,079)
HCl

>  <URL> (1,079)
http://www.selleckchem.com/products/mepivacaine-hydrochloride.html

>  <CAS Number> (1,079)
1722-62-9

>  <Plate Location> (1,079)
g10

>  <Rack Number> (1,079)
L1700-15

$$$$
Sertaconazole nitrate.cdx
csChFnd80/04011511122D

 28 30  0  0  0  0  0  0  0  0999 V2000
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A   28
H N O3
M  END
>  <Mol_ID> (1,080)
1080

>  <Formula> (1,080)
C20H15Cl3N2ORS

>  <MolWeight> (1,080)
437.7699

>  <Item Name> (1,080)
Sertaconazole nitrate

>  <Catalog Number> (1,080)
S3161

>  <Synonyms> (1,080)
N/A 

>  <Target> (1,080)
Others

>  <Form> (1,080)
Nitrate

>  <URL> (1,080)
http://www.selleckchem.com/products/sertaconazole-nitrate.html

>  <CAS Number> (1,080)
99592-39-9

>  <Plate Location> (1,080)
a11

>  <Rack Number> (1,080)
L1700-15

$$$$
Tylosin tartrate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,081)
1081

>  <Formula> (1,081)
C50H83NO23

>  <MolWeight> (1,081)
1066.18692

>  <Item Name> (1,081)
Tylosin tartrate

>  <Catalog Number> (1,081)
S3162

>  <Synonyms> (1,081)
N/A 

>  <Target> (1,081)
Others

>  <Form> (1,081)
Tartrate

>  <URL> (1,081)
http://www.selleckchem.com/products/tylosin-tartrate.html

>  <CAS Number> (1,081)
74610-55-2

>  <Plate Location> (1,081)
b11

>  <Rack Number> (1,081)
L1700-15

$$$$
Benztropine mesylate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,082)
1082

>  <Formula> (1,082)
C22H29NO4S

>  <MolWeight> (1,082)
403.53496

>  <Item Name> (1,082)
Benztropine mesylate

>  <Catalog Number> (1,082)
S3163

>  <Synonyms> (1,082)
N/A 

>  <Target> (1,082)
Histamine Receptor

>  <Form> (1,082)
Mesylate

>  <URL> (1,082)
http://www.selleckchem.com/products/benztropine-mesylate.html

>  <CAS Number> (1,082)
132-17-2

>  <Plate Location> (1,082)
c11

>  <Rack Number> (1,082)
L1700-15

$$$$
Betahistine dihydrochloride.cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (1,083)
1083

>  <Formula> (1,083)
C8H14Cl2N2

>  <MolWeight> (1,083)
209.11616

>  <Item Name> (1,083)
Betahistine 2HCl

>  <Catalog Number> (1,083)
S3176

>  <Synonyms> (1,083)
N/A 

>  <Target> (1,083)
Histamine Receptor

>  <Form> (1,083)
2HCl

>  <URL> (1,083)
http://www.selleckchem.com/products/betahistine-dihydrochloride.html

>  <CAS Number> (1,083)
5579-84-0

>  <Plate Location> (1,083)
a1

>  <Rack Number> (1,083)
L1700-16

$$$$
Brinzolamide.cdx
csChFnd80/04011511122D

 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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M  END
>  <Mol_ID> (1,084)
1084

>  <Formula> (1,084)
C12H21N3O5S3

>  <MolWeight> (1,084)
383.50724

>  <Item Name> (1,084)
Brinzolamide

>  <Catalog Number> (1,084)
S3178

>  <Synonyms> (1,084)
Azopt 

>  <Target> (1,084)
Carbonic Anhydrase

>  <Form> (1,084)
Free Base

>  <URL> (1,084)
http://www.selleckchem.com/products/brinzolamide.html

>  <CAS Number> (1,084)
138890-62-7

>  <Plate Location> (1,084)
b1

>  <Rack Number> (1,084)
L1700-16

$$$$
Carbenicillin disodium.cdx
csChFnd80/04011511122D

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.7413    3.0850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,085)
1085

>  <Formula> (1,085)
C17H16N2Na2O6S

>  <MolWeight> (1,085)
422.36328

>  <Item Name> (1,085)
Carbenicillin disodium

>  <Catalog Number> (1,085)
S3179

>  <Synonyms> (1,085)
N/A 

>  <Target> (1,085)
Others

>  <Form> (1,085)
Disodium

>  <URL> (1,085)
http://www.selleckchem.com/products/carbenicillin-disodium.html

>  <CAS Number> (1,085)
4800-94-6

>  <Plate Location> (1,085)
c1

>  <Rack Number> (1,085)
L1700-16

$$$$
Eletriptan hydrobromide.cdx
csChFnd80/04011511122D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,086)
1086

>  <Formula> (1,086)
C22H27BrN2O2S

>  <MolWeight> (1,086)
463.43098

>  <Item Name> (1,086)
Eletriptan HBr

>  <Catalog Number> (1,086)
S3180

>  <Synonyms> (1,086)
N/A 

>  <Target> (1,086)
5-HT Receptor

>  <Form> (1,086)
HBr

>  <URL> (1,086)
http://www.selleckchem.com/products/eletriptan-hydrobromide.html

>  <CAS Number> (1,086)
177834-92-3

>  <Plate Location> (1,086)
d1

>  <Rack Number> (1,086)
L1700-16

$$$$
Flumequine.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,087)
1087

>  <Formula> (1,087)
C14H12FNO3

>  <MolWeight> (1,087)
261.2483832

>  <Item Name> (1,087)
Flumequine

>  <Catalog Number> (1,087)
S3181

>  <Synonyms> (1,087)
N/A 

>  <Target> (1,087)
Others

>  <Form> (1,087)
Free Base

>  <URL> (1,087)
http://www.selleckchem.com/products/flumequine.html

>  <CAS Number> (1,087)
42835-25-6

>  <Plate Location> (1,087)
e1

>  <Rack Number> (1,087)
L1700-16

$$$$
Ticarcillin sodium.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,088)
1088

>  <Formula> (1,088)
C15H16N2Na2O6S2

>  <MolWeight> (1,088)
430.40688

>  <Item Name> (1,088)
Ticarcillin sodium

>  <Catalog Number> (1,088)
S3193

>  <Synonyms> (1,088)
N/A 

>  <Target> (1,088)
Others

>  <Form> (1,088)
Sodium

>  <URL> (1,088)
http://www.selleckchem.com/products/ticarcillin-sodium.html

>  <CAS Number> (1,088)
29457-07-6

>  <Plate Location> (1,088)
d2

>  <Rack Number> (1,088)
L1700-16

$$$$
Azlocillin sodium salt.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,089)
1089

>  <Formula> (1,089)
C20H23N5NaO6S

>  <MolWeight> (1,089)
484.48129

>  <Item Name> (1,089)
Azlocillin sodium salt

>  <Catalog Number> (1,089)
S3195

>  <Synonyms> (1,089)
N/A 

>  <Target> (1,089)
Others

>  <Form> (1,089)
Sodium Salt

>  <URL> (1,089)
http://www.selleckchem.com/products/azlocillin-sodium-salt.html

>  <CAS Number> (1,089)
37091-65-9

>  <Plate Location> (1,089)
e2

>  <Rack Number> (1,089)
L1700-16

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,090)
1090

>  <Formula> (1,090)
C21H26Cl2F3N3S

>  <MolWeight> (1,090)
480.4174496

>  <Item Name> (1,090)
Trifluoperazine 2HCl

>  <Catalog Number> (1,090)
S3201

>  <Synonyms> (1,090)
 N/A 

>  <Target> (1,090)
Others

>  <Form> (1,090)
2HCl

>  <URL> (1,090)
http://www.selleckchem.com/products/trifluoperazine-dihydrochloride.html

>  <CAS Number> (1,090)
440-17-5

>  <Plate Location> (1,090)
a3

>  <Rack Number> (1,090)
L1700-16

$$$$
Meptazinol hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,091)
1091

>  <Formula> (1,091)
C15H24ClNO

>  <MolWeight> (1,091)
269.81016

>  <Item Name> (1,091)
Meptazinol HCl

>  <Catalog Number> (1,091)
S3204

>  <Synonyms> (1,091)
N/A 

>  <Target> (1,091)
Others

>  <Form> (1,091)
HCl

>  <URL> (1,091)
http://www.selleckchem.com/products/meptazinol-hydrochloride.html

>  <CAS Number> (1,091)
59263-76-2

>  <Plate Location> (1,091)
c3

>  <Rack Number> (1,091)
L1700-16

$$$$
Adrenalone hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,092)
1092

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C9H12ClNO3

>  <MolWeight> (1,092)
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Adrenalone HCl

>  <Catalog Number> (1,092)
S3185

>  <Synonyms> (1,092)
N/A 

>  <Target> (1,092)
Adrenergic Receptor

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HCl

>  <URL> (1,092)
http://www.selleckchem.com/products/adrenalone-hcl.html

>  <CAS Number> (1,092)
62-13-5

>  <Plate Location> (1,092)
g1

>  <Rack Number> (1,092)
L1700-16

$$$$
Azacyclonol.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,093)
1093

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C18H21NO

>  <MolWeight> (1,093)
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Azacyclonol

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S3196

>  <Synonyms> (1,093)
N/A 

>  <Target> (1,093)
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>  <Form> (1,093)
Free Base

>  <URL> (1,093)
http://www.selleckchem.com/products/azacyclonol.html

>  <CAS Number> (1,093)
115-46-8

>  <Plate Location> (1,093)
f2

>  <Rack Number> (1,093)
L1700-16

$$$$
Reboxetine mesylate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,094)
1094

>  <Formula> (1,094)
C20H27NO6S

>  <MolWeight> (1,094)
409.49648

>  <Item Name> (1,094)
Reboxetine mesylate

>  <Catalog Number> (1,094)
S3199 

>  <Synonyms> (1,094)
N/A 

>  <Target> (1,094)
Others

>  <Form> (1,094)
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>  <URL> (1,094)
http://www.selleckchem.com/products/reboxetine-mesylate.html

>  <CAS Number> (1,094)
98769-84-7

>  <Plate Location> (1,094)
g2

>  <Rack Number> (1,094)
L1700-16

$$$$
Triflusal.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,095)
1095

>  <Formula> (1,095)
C10H7F3O4

>  <MolWeight> (1,095)
248.1553896

>  <Item Name> (1,095)
Triflusal

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S3200

>  <Synonyms> (1,095)
N/A 

>  <Target> (1,095)
COX

>  <Form> (1,095)
Free Base

>  <URL> (1,095)
http://www.selleckchem.com/products/triflusal.html

>  <CAS Number> (1,095)
322-79-2

>  <Plate Location> (1,095)
h2

>  <Rack Number> (1,095)
L1700-16

$$$$
Wortmannin.cdx
csChFnd80/04011511122D

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csChFnd80/04011511122D

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Xylazine HCl.cdx
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C21H24N2O2

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Catharanthine

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S3202

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N/A 

>  <Target> (1,100)
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>  <URL> (1,100)
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2468-21-5

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b3

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L1700-16

$$$$
Fexofenadine HCl.cdx
csChFnd80/04011511122D

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C32H40ClNO4

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Fexofenadine HCl

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>  <Synonyms> (1,101)
N/A 

>  <Target> (1,101)
Histamine Receptor

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HCl

>  <URL> (1,101)
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>  <CAS Number> (1,101)
153439-40-8

>  <Plate Location> (1,101)
d3

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L1700-16

$$$$
Amidopyrine.cdx
csChFnd80/04011511122D

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>  <Target> (1,102)
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>  <URL> (1,102)
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58-15-1

>  <Plate Location> (1,102)
e3

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L1700-16

$$$$
Moclobemide.cdx
csChFnd80/04011511122D

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>  <Formula> (1,103)
C13H17ClN2O2

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Moclobemide

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S3212

>  <Synonyms> (1,103)
N/A 

>  <Target> (1,103)
MAO

>  <Form> (1,103)
Free Base

>  <URL> (1,103)
http://www.selleckchem.com/products/moclobemide.html

>  <CAS Number> (1,103)
71320-77-9

>  <Plate Location> (1,103)
f3

>  <Rack Number> (1,103)
L1700-16

$$$$
ARN-509.cdx
csChFnd80/04011511122D

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Adrenergic Receptor

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Sulfathiazole.cdx
csChFnd80/04011511122D

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72-14-0

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L1700-15

$$$$
carfilzomib(PR-171).cdx
csChFnd80/04011511122D

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C40H57N5O7

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Carfilzomib (PR-171)

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Proteasome

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>  <URL> (1,107)
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>  <CAS Number> (1,107)
868540-17-4

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e4

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L1700-14

$$$$
Sitaxentan sodium.cdx
csChFnd80/04011511122D

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>  <Formula> (1,108)
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Sitaxentan sodium (TBC-11251)

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>  <Plate Location> (1,108)
f3

>  <Rack Number> (1,108)
L1700-15

$$$$
VIOXX (rofecoxib).cdx
csChFnd80/04011511122D

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COX

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Free Base

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>  <CAS Number> (1,109)
N/A 

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>  <Target> (1,110)
RAAS

>  <Form> (1,110)
Free Base

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>  <CAS Number> (1,110)
147403-03-0

>  <Plate Location> (1,110)
f4

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L1700-15

$$$$
Cinepazide maleate.cdx
csChFnd80/04011511122D

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>  <Item Name> (1,111)
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>  <Target> (1,111)
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>  <Form> (1,111)
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>  <URL> (1,111)
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>  <CAS Number> (1,111)
26328-04-1

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e4

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L1700-15

$$$$
BML-190.cdx
csChFnd80/04011511122D

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Indomethacin Morpholinylamide 

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Cannabinoid Receptor

>  <Form> (1,112)
Free Base

>  <URL> (1,112)
http://www.selleckchem.com/products/bml-190.html

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$$$$
Semaxanib.cdx
csChFnd80/04011511122D

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C24H23N5OS

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1227633-49-9

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b5

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L1700-14

$$$$
Otilonium Bromide.cdx
csChFnd80/04011511122D

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>  <Catalog Number> (1,119)
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>  <Synonyms> (1,119)
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>  <Target> (1,119)
AChR

>  <Form> (1,119)
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>  <URL> (1,119)
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>  <CAS Number> (1,119)
26095-59-0

>  <Plate Location> (1,119)
g4

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L1700-15

$$$$
Cyclocytidine hydrochloride.cdx
csChFnd80/04011511122D

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10212-25-6

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a11

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L1700-07

$$$$
IMD0354.cdx
csChFnd80/04011511122D

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h5

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L1700-14

$$$$
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ETA Receptor

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$$$$
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csChFnd80/04011511122D

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N/A

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JAK, EGFR

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Free Base

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211555-04-3

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c6

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L1700-14

$$$$
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N/A

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5-HT Receptor

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Free Base

>  <URL> (1,128)
http://www.selleckchem.com/products/vuf-10166.html

>  <CAS Number> (1,128)
155584-74-0

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a6

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L1700-14

$$$$
Alverine citrate.cdx
csChFnd80/04011511122D

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S3054

>  <Synonyms> (1,129)
N/A

>  <Target> (1,129)
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Citrate

>  <URL> (1,129)
http://www.selleckchem.com/products/alverine-citrate.html

>  <CAS Number> (1,129)
5560-59-8

>  <Plate Location> (1,129)
d5

>  <Rack Number> (1,129)
L1700-15

$$$$
Azelnidipine.cdx
csChFnd80/04011511122D

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Azelnidipine

>  <Catalog Number> (1,130)
S3053

>  <Synonyms> (1,130)
N/A

>  <Target> (1,130)
Calcium Channel

>  <Form> (1,130)
Free Base

>  <URL> (1,130)
http://www.selleckchem.com/products/azelnidipine.html

>  <CAS Number> (1,130)
123524-52-7

>  <Plate Location> (1,130)
c5

>  <Rack Number> (1,130)
L1700-15

$$$$
Solifenacin succinate.cdx
csChFnd80/04011511122D

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1131

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C27H32N2O6

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>  <Item Name> (1,131)
Solifenacin succinate

>  <Catalog Number> (1,131)
S3048

>  <Synonyms> (1,131)
N/A

>  <Target> (1,131)
AChR

>  <Form> (1,131)
Succinate

>  <URL> (1,131)
http://www.selleckchem.com/products/solifenacin-succinate.html

>  <CAS Number> (1,131)
242478-38-2

>  <Plate Location> (1,131)
h4

>  <Rack Number> (1,131)
L1700-15

$$$$
Forskolin.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,132)
1132

>  <Formula> (1,132)
C22H34O7

>  <MolWeight> (1,132)
410.50116

>  <Item Name> (1,132)
Forskolin

>  <Catalog Number> (1,132)
S2449

>  <Synonyms> (1,132)
Coleonol

>  <Target> (1,132)
cAMP

>  <Form> (1,132)
Free Base

>  <URL> (1,132)
http://www.selleckchem.com/products/forskolin.html

>  <CAS Number> (1,132)
66575-29-9

>  <Plate Location> (1,132)
h3

>  <Rack Number> (1,132)
L1700-11

$$$$
Chlorhexidine Hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,133)
1133

>  <Formula> (1,133)
C22H32Cl4N10

>  <MolWeight> (1,133)
578.36848

>  <Item Name> (1,133)
Chlorhexidine HCl

>  <Catalog Number> (1,133)
S3067

>  <Synonyms> (1,133)
N/A

>  <Target> (1,133)
Others

>  <Form> (1,133)
HCl

>  <URL> (1,133)
http://www.selleckchem.com/products/chlorhexidine-hcl.html

>  <CAS Number> (1,133)
3697-42-5

>  <Plate Location> (1,133)
d6

>  <Rack Number> (1,133)
L1700-15

$$$$
Diclofenac Diethylamine.cdx
csChFnd80/04011511122D

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1134

>  <Formula> (1,134)
C18H22Cl2N2O2

>  <MolWeight> (1,134)
369.28548

>  <Item Name> (1,134)
Diclofenac Diethylamine

>  <Catalog Number> (1,134)
S3063

>  <Synonyms> (1,134)
N/A

>  <Target> (1,134)
Others

>  <Form> (1,134)
Diethylamine

>  <URL> (1,134)
http://www.selleckchem.com/products/diclofenac-diethylamine.html

>  <CAS Number> (1,134)
78213-16-8

>  <Plate Location> (1,134)
a6

>  <Rack Number> (1,134)
L1700-15

$$$$
CATAFLAM (diclofenac potassium).cdx
csChFnd80/04011511122D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7806    4.0785    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
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 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,135)
1135

>  <Formula> (1,135)
C14H10Cl2KNO2

>  <MolWeight> (1,135)
334.239

>  <Item Name> (1,135)
Diclofenac Potassium

>  <Catalog Number> (1,135)
S3062

>  <Synonyms> (1,135)
N/A

>  <Target> (1,135)
Others

>  <Form> (1,135)
Potassium

>  <URL> (1,135)
http://www.selleckchem.com/products/diclofenac-potassium.html

>  <CAS Number> (1,135)
15307-81-0

>  <Plate Location> (1,135)
h5

>  <Rack Number> (1,135)
L1700-15

$$$$
Epinephrine HCl.cdx
csChFnd80/04011511122D

 14 13  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7000    3.6382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,136)
1136

>  <Formula> (1,136)
C9H14ClNO3

>  <MolWeight> (1,136)
219.66536

>  <Item Name> (1,136)
Epinephrine HCl (Adrenaline)

>  <Catalog Number> (1,136)
S3061

>  <Synonyms> (1,136)
N/A

>  <Target> (1,136)
Adrenergic Receptor

>  <Form> (1,136)
HCl 

>  <URL> (1,136)
http://www.selleckchem.com/products/epinephrine-hcl-adrenaline.html

>  <CAS Number> (1,136)
55-31-2

>  <Plate Location> (1,136)
g5

>  <Rack Number> (1,136)
L1700-15

$$$$
Inosine.cdx
csChFnd80/04011511122D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7495    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,137)
1137

>  <Formula> (1,137)
C10H12N4O5

>  <MolWeight> (1,137)
268.22608

>  <Item Name> (1,137)
Inosine

>  <Catalog Number> (1,137)
S2442

>  <Synonyms> (1,137)
N/A

>  <Target> (1,137)
Others

>  <Form> (1,137)
Free Base

>  <URL> (1,137)
http://www.selleckchem.com/products/inosine.html

>  <CAS Number> (1,137)
58-63-9

>  <Plate Location> (1,137)
e3

>  <Rack Number> (1,137)
L1700-11

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/04011511122D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 33 34  1  0  0  0  0
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 36 37  1  0  0  0  0
 17 33  1  6  0  0  0
 14 38  1  1  0  0  0
M  END
>  <Mol_ID> (1,138)
1138

>  <Formula> (1,138)
C28H37ClO7

>  <MolWeight> (1,138)
521.04218

>  <Item Name> (1,138)
Beclomethasone dipropionate 

>  <Catalog Number> (1,138)
S3078

>  <Synonyms> (1,138)
Beclometasone dipropionate

>  <Target> (1,138)
Others

>  <Form> (1,138)
Free Base

>  <URL> (1,138)
http://www.selleckchem.com/products/beclomethasone-dipropionate.html

>  <CAS Number> (1,138)
5534-09-8

>  <Plate Location> (1,138)
b7

>  <Rack Number> (1,138)
L1700-15

$$$$
Naloxone HCL.cdx
csChFnd80/04011511122D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,139)
1139

>  <Formula> (1,139)
C19H22ClNO4

>  <MolWeight> (1,139)
363.83528

>  <Item Name> (1,139)
Naloxone HCl

>  <Catalog Number> (1,139)
S3066

>  <Synonyms> (1,139)
N/A

>  <Target> (1,139)
Opioid Receptor

>  <Form> (1,139)
HCl

>  <URL> (1,139)
http://www.selleckchem.com/products/naloxone-hcl.html

>  <CAS Number> (1,139)
357-08-4

>  <Plate Location> (1,139)
c6

>  <Rack Number> (1,139)
L1700-15

$$$$
Pircetam.cdx
csChFnd80/04011511122D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,140)
1140

>  <Formula> (1,140)
C6H10N2O2

>  <MolWeight> (1,140)
142.1558

>  <Item Name> (1,140)
Piracetam

>  <Catalog Number> (1,140)
S3070

>  <Synonyms> (1,140)
N/A

>  <Target> (1,140)
Others

>  <Form> (1,140)
Free Base

>  <URL> (1,140)
http://www.selleckchem.com/products/piracetam.html

>  <CAS Number> (1,140)
7491-74-9

>  <Plate Location> (1,140)
e6

>  <Rack Number> (1,140)
L1700-15

$$$$
Vanillin.cdx
csChFnd80/04011511122D

 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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M  END
>  <Mol_ID> (1,141)
1141

>  <Formula> (1,141)
C8H8O3

>  <MolWeight> (1,141)
152.14732

>  <Item Name> (1,141)
Vanillin 

>  <Catalog Number> (1,141)
S3071

>  <Synonyms> (1,141)
N/A

>  <Target> (1,141)
Others

>  <Form> (1,141)
Free Base

>  <URL> (1,141)
http://www.selleckchem.com/products/vanillin.html

>  <CAS Number> (1,141)
121-33-5

>  <Plate Location> (1,141)
f6

>  <Rack Number> (1,141)
L1700-15

$$$$
Dexmedetomidine.cdx
csChFnd80/04011511122D

 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
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1142

>  <Formula> (1,142)
C13H16N2

>  <MolWeight> (1,142)
200.27954

>  <Item Name> (1,142)
Dexmedetomidine

>  <Catalog Number> (1,142)
S3075

>  <Synonyms> (1,142)
N/A

>  <Target> (1,142)
Adrenergic Receptor

>  <Form> (1,142)
Free Base

>  <URL> (1,142)
http://www.selleckchem.com/products/dexmedetomidine.html

>  <CAS Number> (1,142)
113775-47-6

>  <Plate Location> (1,142)
h6

>  <Rack Number> (1,142)
L1700-15

$$$$
Foscarnet Sodium.cdx
csChFnd80/04011511122D

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    1.4000    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,143)
1143

>  <Formula> (1,143)
CNa3O5P

>  <MolWeight> (1,143)
191.950771

>  <Item Name> (1,143)
Foscarnet Sodium

>  <Catalog Number> (1,143)
S3076

>  <Synonyms> (1,143)
N/A

>  <Target> (1,143)
Others

>  <Form> (1,143)
Sodium

>  <URL> (1,143)
http://www.selleckchem.com/products/foscarnet-sodium.html

>  <CAS Number> (1,143)
63585-09-1
63585-09-1

>  <Plate Location> (1,143)
a7

>  <Rack Number> (1,143)
L1700-15

$$$$
Acesulfame potassium.cdx
csChFnd80/04011511122D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.5912    2.3562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,144)
1144

>  <Formula> (1,144)
C4H5KNO4S

>  <MolWeight> (1,144)
202.2501

>  <Item Name> (1,144)
Acesulfame Potassium 

>  <Catalog Number> (1,144)
S2884

>  <Synonyms> (1,144)
N/A

>  <Target> (1,144)
Others

>  <Form> (1,144)
Potassium Salt

>  <URL> (1,144)
http://www.selleckchem.com/products/acesulfame-potassium.html

>  <CAS Number> (1,144)
55589-62-3

>  <Plate Location> (1,144)
e7

>  <Rack Number> (1,144)
L1700-14

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/04011511122D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,145)
1145

>  <Formula> (1,145)
C9H10O3

>  <MolWeight> (1,145)
166.1739

>  <Item Name> (1,145)
Apocynin (Acetovanillone)

>  <Catalog Number> (1,145)
S2425

>  <Synonyms> (1,145)
N/A

>  <Target> (1,145)
Others

>  <Form> (1,145)
Free Base

>  <URL> (1,145)
http://www.selleckchem.com/products/apocynin-acetovanillone.html

>  <CAS Number> (1,145)
498-02-2

>  <Plate Location> (1,145)
a3

>  <Rack Number> (1,145)
L1700-11

$$$$
Schisandrin B.cdx
csChFnd80/04011511122D

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1146

>  <Formula> (1,146)
C23H28O6

>  <MolWeight> (1,146)
400.46482

>  <Item Name> (1,146)
Schisandrin B

>  <Catalog Number> (1,146)
S3600

>  <Synonyms> (1,146)
N/A

>  <Target> (1,146)
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>  <Form> (1,146)
Free Base

>  <URL> (1,146)
http://www.selleckchem.com/products/schisandrin-b.html

>  <CAS Number> (1,146)
61281-37-6

>  <Plate Location> (1,146)
g3

>  <Rack Number> (1,146)
L1700-16

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/04011511122D

 26 29  0  0  0  0  0  0  0  0999 V2000
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95233-18-4

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c7

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$$$$
etravirine (TMC125).cdx
csChFnd80/04011511122D

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d7

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L1700-15

$$$$
Ulipristal acetate.cdx
csChFnd80/04011511122D

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>  <Target> (1,149)
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126784-99-4

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e7

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L1700-15

$$$$
U-104.cdx
csChFnd80/04011511122D

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Carbonic Anhydrase

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>  <CAS Number> (1,150)
178606-66-1

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b6

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L1700-14

$$$$
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38748-32-2

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L1700-16

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PF-562271.cdx
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C15H13ClFNO2

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Lumiracoxib (COX-189)

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S2903

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N/A

>  <Target> (1,179)
COX

>  <Form> (1,179)
Free Base

>  <URL> (1,179)
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>  <CAS Number> (1,179)
220991-20-8

>  <Plate Location> (1,179)
b9

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$$$$
JNJ7777120.cdx
csChFnd80/04011511122D

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C14H16ClN3O

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JNJ-7777120

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JNJ 7777120

>  <Target> (1,180)
Histamine Receptor

>  <Form> (1,180)
Free Base

>  <URL> (1,180)
http://www.selleckchem.com/products/jnj-7777120.html

>  <CAS Number> (1,180)
459168-41-3

>  <Plate Location> (1,180)
d9

>  <Rack Number> (1,180)
L1700-14

$$$$
4-AMINOHIPPURIC ACID.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,181)
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>  <Formula> (1,181)
C9H10N2O3

>  <MolWeight> (1,181)
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4-Aminohippuric Acid

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S2883

>  <Synonyms> (1,181)
N/A

>  <Target> (1,181)
Others

>  <Form> (1,181)
Free Base

>  <URL> (1,181)
http://www.selleckchem.com/products/4-aminohippuric-acid.html

>  <CAS Number> (1,181)
61-78-9

>  <Plate Location> (1,181)
d7

>  <Rack Number> (1,181)
L1700-14

$$$$
ABILIFY (aripiprazole).cdx
csChFnd80/04011511122D

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1182

>  <Formula> (1,182)
C23H27Cl2N3O2

>  <MolWeight> (1,182)
448.38538

>  <Item Name> (1,182)
Aripiprazole (Abilify)

>  <Catalog Number> (1,182)
S1975

>  <Synonyms> (1,182)
N/A

>  <Target> (1,182)
5-HT Receptor

>  <Form> (1,182)
Free Base

>  <URL> (1,182)
http://www.selleckchem.com/products/aripiprazole-abilify.html

>  <CAS Number> (1,182)
129722-12-9

>  <Plate Location> (1,182)
c11

>  <Rack Number> (1,182)
L1700-07

$$$$
Duloxetine hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,183)
1183

>  <Formula> (1,183)
C18H20ClNOS

>  <MolWeight> (1,183)
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>  <Item Name> (1,183)
Duloxetine HCl (Cymbalta)

>  <Catalog Number> (1,183)
S2084

>  <Synonyms> (1,183)
N/A

>  <Target> (1,183)
5-HT Receptor

>  <Form> (1,183)
HCl

>  <URL> (1,183)
http://www.selleckchem.com/products/duloxetine-hcl-cymbalta.html

>  <CAS Number> (1,183)
136434-34-9

>  <Plate Location> (1,183)
a8

>  <Rack Number> (1,183)
L1700-08

$$$$
Almotriptan malate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,184)
1184

>  <Formula> (1,184)
C21H31N3O7S

>  <MolWeight> (1,184)
469.55174

>  <Item Name> (1,184)
Almotriptan malate (Axert)

>  <Catalog Number> (1,184)
S2096

>  <Synonyms> (1,184)
N/A

>  <Target> (1,184)
5-HT Receptor

>  <Form> (1,184)
Malate

>  <URL> (1,184)
http://www.selleckchem.com/products/almotriptan-malate-axert.html

>  <CAS Number> (1,184)
181183-52-8

>  <Plate Location> (1,184)
g8

>  <Rack Number> (1,184)
L1700-08

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,185)
1185

>  <Formula> (1,185)
C19H21ClFNO3

>  <MolWeight> (1,185)
365.8263432

>  <Item Name> (1,185)
Paroxetine HCl

>  <Catalog Number> (1,185)
S3005

>  <Synonyms> (1,185)
N/A

>  <Target> (1,185)
5-HT Receptor

>  <Form> (1,185)
HCl

>  <URL> (1,185)
http://www.selleckchem.com/products/paroxetine-hcl.html

>  <CAS Number> (1,185)
78246-49-8

>  <Plate Location> (1,185)
d1

>  <Rack Number> (1,185)
L1700-15

$$$$
Terazosin hydrochloride.cdx
csChFnd80/04011511122D

 31 31  0  0  0  0  0  0  0  0999 V2000
   10.4421    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> (1,186)
1186

>  <Formula> (1,186)
C19H30ClN5O6

>  <MolWeight> (1,186)
459.9244

>  <Item Name> (1,186)
Terazosin HCl (Hytrin)

>  <Catalog Number> (1,186)
S2059

>  <Synonyms> (1,186)
N/A

>  <Target> (1,186)
Adrenergic Receptor

>  <Form> (1,186)
HCl

>  <URL> (1,186)
http://www.selleckchem.com/products/terazosin-hydrochloride-hytrin.html

>  <CAS Number> (1,186)
70024-40-7

>  <Plate Location> (1,186)
a6

>  <Rack Number> (1,186)
L1700-08

$$$$
Ivabradine hydrocloride.cdx
csChFnd80/04011511122D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,187)
1187

>  <Formula> (1,187)
C27H37ClN2O5

>  <MolWeight> (1,187)
505.04608

>  <Item Name> (1,187)
Ivabradine HCl (Procoralan)

>  <Catalog Number> (1,187)
S2086

>  <Synonyms> (1,187)
N/A

>  <Target> (1,187)
Adrenergic Receptor

>  <Form> (1,187)
HCl

>  <URL> (1,187)
http://www.selleckchem.com/products/ivabradine-hcl-procoralan.html

>  <CAS Number> (1,187)
148849-67-6

>  <Plate Location> (1,187)
c8

>  <Rack Number> (1,187)
L1700-08

$$$$
Betaxolol.cdx
csChFnd80/04011511122D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,188)
1188

>  <Formula> (1,188)
C18H29NO3

>  <MolWeight> (1,188)
307.42776

>  <Item Name> (1,188)
Betaxolol (Betoptic)

>  <Catalog Number> (1,188)
S2091

>  <Synonyms> (1,188)
N/A

>  <Target> (1,188)
Adrenergic Receptor

>  <Form> (1,188)
Free Base

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

>  <CAS Number> (1,188)
659-18-7

>  <Plate Location> (1,188)
e8

>  <Rack Number> (1,188)
L1700-08

$$$$
Detomidine hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,189)
1189

>  <Formula> (1,189)
C12H15ClN2

>  <MolWeight> (1,189)
222.7139

>  <Item Name> (1,189)
Detomidine HCl

>  <Catalog Number> (1,189)
S2092

>  <Synonyms> (1,189)
N/A

>  <Target> (1,189)
Adrenergic Receptor

>  <Form> (1,189)
HCl

>  <URL> (1,189)
http://www.selleckchem.com/products/detomidine-hcl.html

>  <CAS Number> (1,189)
90038-01-0

>  <Plate Location> (1,189)
f8

>  <Rack Number> (1,189)
L1700-08

$$$$
Cisatracurium besylate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,190)
1190

>  <Formula> (1,190)
C65H82N2O18S2

>  <MolWeight> (1,190)
1243.47918

>  <Item Name> (1,190)
Cisatracurium besylate (Nimbex)

>  <Catalog Number> (1,190)
S2113

>  <Synonyms> (1,190)
N/A

>  <Target> (1,190)
Adrenergic Receptor

>  <Form> (1,190)
Besylate

>  <URL> (1,190)
http://www.selleckchem.com/products/cisatracurium-besylate-nimbex.html

>  <CAS Number> (1,190)
96946-42-8

>  <Plate Location> (1,190)
a10

>  <Rack Number> (1,190)
L1700-08

$$$$
Levosulpiride.cdx
csChFnd80/04011511122D

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Levosulpiride (Levogastrol)

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Dopamine Receptor   

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23672-07-3

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Opioid Receptor

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Naltrexone HCl

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Opioid Receptor

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HCl

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e9

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csChFnd80/04011511122D

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csChFnd80/04011511122D

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c9

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Luvox

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5-HT Receptor

>  <Form> (1,209)
Maleate

>  <URL> (1,209)
http://www.selleckchem.com/products/Fluvoxamine-maleate.html

>  <CAS Number> (1,209)
61718-82-9

>  <Plate Location> (1,209)
h9

>  <Rack Number> (1,209)
L1700-03

$$$$
Oxcarbazepine.cdx
csChFnd80/04011511122D

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C15H12N2O2

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Oxcarbazepine

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S1391

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Trileptal

>  <Target> (1,210)
Sodium Channel

>  <Form> (1,210)
Free Base

>  <URL> (1,210)
http://www.selleckchem.com/products/Oxcarbazepine.html

>  <CAS Number> (1,210)
28721-07-5

>  <Plate Location> (1,210)
a3

>  <Rack Number> (1,210)
L1700-04

$$$$
H-89.cdx
csChFnd80/04011511122D

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C20H22BrCl2N3O2S

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519.28258

>  <Item Name> (1,211)
H 89 2HCl

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S1582

>  <Synonyms> (1,211)
N/A

>  <Target> (1,211)
S6 Kinase

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2HCl

>  <URL> (1,211)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

>  <CAS Number> (1,211)
130964-39-5

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e6

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L1700-05

$$$$
NAQUIVAL (trichlormethiazide).cdx
csChFnd80/04011511122D

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1212

>  <Formula> (1,212)
C8H8Cl3N3O4S2

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380.65582

>  <Item Name> (1,212)
Trichlormethiazide (Achletin)

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S1667

>  <Synonyms> (1,212)
Achletin, Diu-Hydrin, Triflumen

>  <Target> (1,212)
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Free Base

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133-67-5

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a2

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L1700-06

$$$$
PROFENAL (suprofen).cdx
csChFnd80/04011511122D

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C14H12O3S

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260.30828

>  <Item Name> (1,213)
Suprofen (Profenal)

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S1761

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Profenal, Topalgic, Suprol

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Free Base

>  <URL> (1,213)
http://www.selleckchem.com/products/Suprofen(Profenal).html

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40828-46-4

>  <Plate Location> (1,213)
a9

>  <Rack Number> (1,213)
L1700-06

$$$$
Pranlukast.cdx
csChFnd80/04011511122D

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 36 31  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,214)
1214

>  <Formula> (1,214)
C27H23N5O4

>  <MolWeight> (1,214)
481.50262

>  <Item Name> (1,214)
Pranlukast

>  <Catalog Number> (1,214)
S1829

>  <Synonyms> (1,214)
N/A

>  <Target> (1,214)
Others

>  <Form> (1,214)
Free Base

>  <URL> (1,214)
http://www.selleckchem.com/products/pranlukast.html

>  <CAS Number> (1,214)
103177-37-3

>  <Plate Location> (1,214)
h1

>  <Rack Number> (1,214)
L1700-07

$$$$
Oxfendazole.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,215)
1215

>  <Formula> (1,215)
C15H13N3O3S

>  <MolWeight> (1,215)
315.34702

>  <Item Name> (1,215)
Oxfendazole

>  <Catalog Number> (1,215)
S1830

>  <Synonyms> (1,215)
N/A

>  <Target> (1,215)
Others

>  <Form> (1,215)
Free Base

>  <URL> (1,215)
http://www.selleckchem.com/products/oxfendazole.html

>  <CAS Number> (1,215)
53716-50-0

>  <Plate Location> (1,215)
a2

>  <Rack Number> (1,215)
L1700-07

$$$$
Tizanidine hydrochloride.cdx
csChFnd80/04011511122D

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    2.2115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,216)
1216

>  <Formula> (1,216)
C9H9Cl2N5S

>  <MolWeight> (1,216)
290.17226

>  <Item Name> (1,216)
Tizanidine HCl

>  <Catalog Number> (1,216)
S1437

>  <Synonyms> (1,216)
Zanaflex, Sirdalud

>  <Target> (1,216)
Adrenergic Receptor

>  <Form> (1,216)
HCl

>  <URL> (1,216)
http://www.selleckchem.com/products/Tizanidine-hydrochloride.html

>  <CAS Number> (1,216)
64461-82-1

>  <Plate Location> (1,216)
g5

>  <Rack Number> (1,216)
L1700-04

$$$$
Calcifediol.cdx
csChFnd80/04011511122D

 31 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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M  END
>  <Mol_ID> (1,217)
1217

>  <Formula> (1,217)
C27H44O2

>  <MolWeight> (1,217)
400.63706

>  <Item Name> (1,217)
Calcifediol

>  <Catalog Number> (1,217)
S1469

>  <Synonyms> (1,217)
Calcidiol, Didrogyl, Hidroferol

>  <Target> (1,217)
Others

>  <Form> (1,217)
Free Base

>  <URL> (1,217)
http://www.selleckchem.com/products/Calcifediol.html

>  <CAS Number> (1,217)
19356-17-3

>  <Plate Location> (1,217)
g8

>  <Rack Number> (1,217)
L1700-04

$$$$
Linezolid.cdx
csChFnd80/04011511122D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    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> (1,218)
1218

>  <Formula> (1,218)
C23H23N7O5

>  <MolWeight> (1,218)
477.47262

>  <Item Name> (1,218)
Pralatrexate(Folotyn)

>  <Catalog Number> (1,218)
S1497

>  <Synonyms> (1,218)
Folotyn

>  <Target> (1,218)
DHFR

>  <Form> (1,218)
Free Base

>  <URL> (1,218)
http://www.selleckchem.com/products/Pralatrexate(Folotyn).html

>  <CAS Number> (1,218)
146464-95-1

>  <Plate Location> (1,218)
b11

>  <Rack Number> (1,218)
L1700-04

$$$$
CAVERJECT (alprostadil).cdx
csChFnd80/04011511122D

 25 25  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (1,219)
C20H34O5

>  <MolWeight> (1,219)
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>  <Item Name> (1,219)
Alprostadil(Caverject)

>  <Catalog Number> (1,219)
S1508

>  <Synonyms> (1,219)
Prostaglandin E1, Edex, Muse, Liprostin

>  <Target> (1,219)
Others

>  <Form> (1,219)
Free Base

>  <URL> (1,219)
http://www.selleckchem.com/products/Alprostadil(Caverject).html

>  <CAS Number> (1,219)
745-65-3

>  <Plate Location> (1,219)
h11

>  <Rack Number> (1,219)
L1700-04

$$$$

csChFnd80/04011511122D

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1220

>  <Formula> (1,220)
C18H25N3O2

>  <MolWeight> (1,220)
315.41

>  <Item Name> (1,220)
Saxagliptin (BMS-477118,Onglyza)

>  <Catalog Number> (1,220)
S1540

>  <Synonyms> (1,220)
N/A

>  <Target> (1,220)
DPP-4

>  <Form> (1,220)
Free Base

>  <URL> (1,220)
http://www.selleckchem.com/products/Saxagliptin(Onglyza).html

>  <CAS Number> (1,220)
361442-04-8

>  <Plate Location> (1,220)
d3

>  <Rack Number> (1,220)
L1700-05

$$$$
Roxatidine acetate hydrochloride.cdx
csChFnd80/04011511122D

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>  <Formula> (1,221)
C19H29ClN2O4

>  <MolWeight> (1,221)
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>  <Item Name> (1,221)
Roxatidine acetate HCl

>  <Catalog Number> (1,221)
S1880

>  <Synonyms> (1,221)
N/A

>  <Target> (1,221)
Histamine Receptor

>  <Form> (1,221)
HCl

>  <URL> (1,221)
http://www.selleckchem.com/products/roxatidine-acetate-hcl.html

>  <CAS Number> (1,221)
93793-83-0

>  <Plate Location> (1,221)
g4

>  <Rack Number> (1,221)
L1700-07

$$$$
Protionamide.cdx
csChFnd80/04011511122D

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>  <Formula> (1,222)
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>  <Target> (1,222)
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>  <CAS Number> (1,222)
14222-60-7

>  <Plate Location> (1,222)
h4

>  <Rack Number> (1,222)
L1700-07

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/04011511122D

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>  <Formula> (1,223)
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>  <MolWeight> (1,223)
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Proklar

>  <Target> (1,223)
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>  <Form> (1,223)
Free Base

>  <URL> (1,223)
http://www.selleckchem.com/products/Sulfamethizole(Proklar).html

>  <CAS Number> (1,223)
144-82-1

>  <Plate Location> (1,223)
g9

>  <Rack Number> (1,223)
L1700-07

$$$$
MYDRIACYL (tropicamide).cdx
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M  END
>  <Mol_ID> (1,230)
1230

>  <Formula> (1,230)
C26H28Cl2F2N2

>  <MolWeight> (1,230)
477.4167264

>  <Item Name> (1,230)
Flunarizine 2HCl

>  <Catalog Number> (1,230)
S2030

>  <Synonyms> (1,230)
N/A

>  <Target> (1,230)
Calcium Channel

>  <Form> (1,230)
2HCl

>  <URL> (1,230)
http://www.selleckchem.com/products/flunarizine-dihydrochloride.html

>  <CAS Number> (1,230)
30484-77-6

>  <Plate Location> (1,230)
e3

>  <Rack Number> (1,230)
L1700-08

$$$$
Fenticonazole nitrate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,231)
1231

>  <Formula> (1,231)
C24H21Cl2N3O4S

>  <MolWeight> (1,231)
518.41224

>  <Item Name> (1,231)
Fenticonazole nitrate

>  <Catalog Number> (1,231)
S2031

>  <Synonyms> (1,231)
N/A

>  <Target> (1,231)
Others

>  <Form> (1,231)
Nitrate

>  <URL> (1,231)
http://www.selleckchem.com/products/fenticonazole-nitrate.html

>  <CAS Number> (1,231)
73151-29-8

>  <Plate Location> (1,231)
f3

>  <Rack Number> (1,231)
L1700-08

$$$$
Rebamipide.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,232)
1232

>  <Formula> (1,232)
C19H15ClN2O4

>  <MolWeight> (1,232)
370.7864

>  <Item Name> (1,232)
Rebamipide

>  <Catalog Number> (1,232)
S2032

>  <Synonyms> (1,232)
N/A

>  <Target> (1,232)
Others

>  <Form> (1,232)
Free Base

>  <URL> (1,232)
http://www.selleckchem.com/products/rebamipide.html

>  <CAS Number> (1,232)
90098-04-7

>  <Plate Location> (1,232)
g3

>  <Rack Number> (1,232)
L1700-08

$$$$
Bromhexine hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,233)
1233

>  <Formula> (1,233)
C14H21Br2ClN2

>  <MolWeight> (1,233)
412.59094

>  <Item Name> (1,233)
Bromhexine HCl

>  <Catalog Number> (1,233)
S2060

>  <Synonyms> (1,233)
N/A

>  <Target> (1,233)
Others

>  <Form> (1,233)
HCl

>  <URL> (1,233)
http://www.selleckchem.com/products/bromhexine-hydrochloride.html

>  <CAS Number> (1,233)
611-75-6

>  <Plate Location> (1,233)
b6

>  <Rack Number> (1,233)
L1700-08

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,234)
1234

>  <Formula> (1,234)
C24H36O5

>  <MolWeight> (1,234)
404.53964

>  <Item Name> (1,234)
Lovastatin (Mevacor)

>  <Catalog Number> (1,234)
S2061

>  <Synonyms> (1,234)
N/A

>  <Target> (1,234)
HMG-CoA Reductase

>  <Form> (1,234)
Free Base

>  <URL> (1,234)
http://www.selleckchem.com/products/lovastatin-mevacor.html

>  <CAS Number> (1,234)
75330-75-5

>  <Plate Location> (1,234)
c6

>  <Rack Number> (1,234)
L1700-08

$$$$
Tiopronin.cdx
csChFnd80/04011511122D

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>  <Item Name> (1,235)
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S2062

>  <Synonyms> (1,235)
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>  <Target> (1,235)
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>  <Form> (1,235)
Free Base

>  <URL> (1,235)
http://www.selleckchem.com/products/tiopronin-thiola.html

>  <CAS Number> (1,235)
1953-02-2

>  <Plate Location> (1,235)
d6

>  <Rack Number> (1,235)
L1700-08

$$$$
Balofloxacin.cdx
csChFnd80/04011511122D

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S2064

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N/A

>  <Target> (1,236)
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Free Base

>  <URL> (1,236)
http://www.selleckchem.com/products/balofloxacin.html

>  <CAS Number> (1,236)
127294-70-6

>  <Plate Location> (1,236)
e6

>  <Rack Number> (1,236)
L1700-08

$$$$
Lafutidine.cdx
csChFnd80/04011511122D

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>  <Formula> (1,237)
C22H29N3O4S

>  <MolWeight> (1,237)
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N/A

>  <Target> (1,237)
Histamine Receptor

>  <Form> (1,237)
Free Base

>  <URL> (1,237)
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>  <CAS Number> (1,237)
118288-08-7

>  <Plate Location> (1,237)
f6

>  <Rack Number> (1,237)
L1700-08

$$$$
Moxonidine.cdx
csChFnd80/04011511122D

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>  <Formula> (1,238)
C9H12ClN5O

>  <MolWeight> (1,238)
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>  <Item Name> (1,238)
Moxonidine

>  <Catalog Number> (1,238)
S2066

>  <Synonyms> (1,238)
N/A

>  <Target> (1,238)
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Free Base

>  <URL> (1,238)
http://www.selleckchem.com/products/moxonidine.html

>  <CAS Number> (1,238)
75438-57-2

>  <Plate Location> (1,238)
g6

>  <Rack Number> (1,238)
L1700-08

$$$$
Argatroban.cdx
csChFnd80/04011511122D

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>  <Item Name> (1,239)
Argatroban

>  <Catalog Number> (1,239)
S2069

>  <Synonyms> (1,239)
N/A

>  <Target> (1,239)
Others

>  <Form> (1,239)
Free Base

>  <URL> (1,239)
http://www.selleckchem.com/products/argatroban.html

>  <CAS Number> (1,239)
74863-84-6

>  <Plate Location> (1,239)
a7

>  <Rack Number> (1,239)
L1700-08

$$$$
Mecarbinate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,240)
1240

>  <Formula> (1,240)
C13H15NO3

>  <MolWeight> (1,240)
233.2631

>  <Item Name> (1,240)
Mecarbinate

>  <Catalog Number> (1,240)
S2074

>  <Synonyms> (1,240)
N/A

>  <Target> (1,240)
Others

>  <Form> (1,240)
Free Base

>  <URL> (1,240)
http://www.selleckchem.com/products/mecarbinate.html

>  <CAS Number> (1,240)
15574-49-9

>  <Plate Location> (1,240)
b7

>  <Rack Number> (1,240)
L1700-08

$$$$
Atorvastatin calcium.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,241)
1241

>  <Formula> (1,241)
C66H68CaF2N4O10

>  <MolWeight> (1,241)
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>  <Item Name> (1,241)
Atorvastatin calcium (Lipitor)

>  <Catalog Number> (1,241)
S2077

>  <Synonyms> (1,241)
N/A

>  <Target> (1,241)
HMG-CoA Reductase

>  <Form> (1,241)
Calcium 

>  <URL> (1,241)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

>  <CAS Number> (1,241)
134523-03-8

>  <Plate Location> (1,241)
c7

>  <Rack Number> (1,241)
L1700-08

$$$$
Famotidine.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,242)
1242

>  <Formula> (1,242)
C8H15N7O2S3

>  <MolWeight> (1,242)
337.4454

>  <Item Name> (1,242)
Famotidine (Pepcid)

>  <Catalog Number> (1,242)
S2078

>  <Synonyms> (1,242)
N/A

>  <Target> (1,242)
Histamine Receptor

>  <Form> (1,242)
Free Base

>  <URL> (1,242)
http://www.selleckchem.com/products/famotidine-pepcid.html

>  <CAS Number> (1,242)
76824-35-6

>  <Plate Location> (1,242)
d7

>  <Rack Number> (1,242)
L1700-08

$$$$
Moexipril hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,243)
1243

>  <Formula> (1,243)
C27H35ClN2O7

>  <MolWeight> (1,243)
535.029

>  <Item Name> (1,243)
Moexipril HCl

>  <Catalog Number> (1,243)
S2079

>  <Synonyms> (1,243)
N/A

>  <Target> (1,243)
RAAS

>  <Form> (1,243)
HCl

>  <URL> (1,243)
http://www.selleckchem.com/products/moexipril-hydrochloride.html

>  <CAS Number> (1,243)
82586-52-5

>  <Plate Location> (1,243)
e7

>  <Rack Number> (1,243)
L1700-08

$$$$
Cleviprex.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,244)
1244

>  <Formula> (1,244)
C21H23Cl2NO6

>  <MolWeight> (1,244)
456.31642

>  <Item Name> (1,244)
Cleviprex (Clevidipine)

>  <Catalog Number> (1,244)
S2080

>  <Synonyms> (1,244)
N/A

>  <Target> (1,244)
Calcium Channel

>  <Form> (1,244)
Free Base

>  <URL> (1,244)
http://www.selleckchem.com/products/cleviprex-clevidipine.html

>  <CAS Number> (1,244)
167221-71-8

>  <Plate Location> (1,244)
f7

>  <Rack Number> (1,244)
L1700-08

$$$$
Cilazapril monohydrate.cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (1,245)
1245

>  <Formula> (1,245)
C22H33N3O6

>  <MolWeight> (1,245)
435.51392

>  <Item Name> (1,245)
Cilazapril monohydrate (Inhibace)

>  <Catalog Number> (1,245)
S2081

>  <Synonyms> (1,245)
N/A

>  <Target> (1,245)
RAAS

>  <Form> (1,245)
Monohydrate

>  <URL> (1,245)
http://www.selleckchem.com/products/cilazapril-monohydrate-inhibace.html

>  <CAS Number> (1,245)
92077-78-6

>  <Plate Location> (1,245)
g7

>  <Rack Number> (1,245)
L1700-08

$$$$
Adiphenine hydrochloride.cdx
csChFnd80/04011511122D

 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
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 14  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,246)
1246

>  <Formula> (1,246)
C20H26ClNO2

>  <MolWeight> (1,246)
347.87894

>  <Item Name> (1,246)
Adiphenine HCl

>  <Catalog Number> (1,246)
S2082

>  <Synonyms> (1,246)
N/A

>  <Target> (1,246)
Others

>  <Form> (1,246)
HCl

>  <URL> (1,246)
http://www.selleckchem.com/products/adiphenine-hcl.html

>  <CAS Number> (1,246)
50-42-0

>  <Plate Location> (1,246)
h7

>  <Rack Number> (1,246)
L1700-08

$$$$
Rivastigmine tartrate.cdx
csChFnd80/04011511122D

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Rivastigmine tartrate (Exelon)

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N/A

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AChR

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Tartrate

>  <URL> (1,247)
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>  <CAS Number> (1,247)
129101-54-8

>  <Plate Location> (1,247)
d8

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L1700-08

$$$$
Ambrisentan.cdx
csChFnd80/04011511122D

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C22H22N2O4

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378.42108

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Ambrisentan

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S2097

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N/A

>  <Target> (1,248)
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Free Base

>  <URL> (1,248)
http://www.selleckchem.com/products/ambrisentan.html

>  <CAS Number> (1,248)
177036-94-1

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h8

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L1700-08

$$$$
Bexarotene.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,249)
1249

>  <Formula> (1,249)
C24H28O2

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>  <Item Name> (1,249)
Bexarotene

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S2098

>  <Synonyms> (1,249)
N/A

>  <Target> (1,249)
Others

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Free Base

>  <URL> (1,249)
http://www.selleckchem.com/products/bexarotene.html

>  <CAS Number> (1,249)
153559-49-0

>  <Plate Location> (1,249)
a9

>  <Rack Number> (1,249)
L1700-08

$$$$
Temocapril hydrochloride.cdx
csChFnd80/04011511122D

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>  <Formula> (1,250)
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>  <MolWeight> (1,250)
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>  <Item Name> (1,250)
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>  <Synonyms> (1,250)
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>  <Target> (1,250)
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>  <Form> (1,250)
HCl

>  <URL> (1,250)
http://www.selleckchem.com/products/temocapril-hcl.html

>  <CAS Number> (1,250)
110221-44-8

>  <Plate Location> (1,250)
b9

>  <Rack Number> (1,250)
L1700-08

$$$$
Gabexate mesylate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,251)
1251

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C17H27N3O7S

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Gabexate mesylate

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S2101

>  <Synonyms> (1,251)
N/A

>  <Target> (1,251)
Proteasome

>  <Form> (1,251)
Mesylate

>  <URL> (1,251)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (1,251)
56974-61-9

>  <Plate Location> (1,251)
c9

>  <Rack Number> (1,251)
L1700-08

$$$$
Rasagiline mesylate.cdx
csChFnd80/04011511122D

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C13H17NO3S

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Rasagiline mesylate

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S2102

>  <Synonyms> (1,252)
N/A

>  <Target> (1,252)
MAO

>  <Form> (1,252)
Mesylate

>  <URL> (1,252)
http://www.selleckchem.com/products/rasagiline-mesylate.html

>  <CAS Number> (1,252)
161735-79-1

>  <Plate Location> (1,252)
d9

>  <Rack Number> (1,252)
L1700-08

$$$$
Flunixin meglumine.cdx
csChFnd80/04011511122D

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1253

>  <Formula> (1,253)
C21H28F3N3O7

>  <MolWeight> (1,253)
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Flunixin meglumin

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S2108

>  <Synonyms> (1,253)
N/A

>  <Target> (1,253)
COX

>  <Form> (1,253)
Meglumin

>  <URL> (1,253)
http://www.selleckchem.com/products/flunixin-meglumin.html

>  <CAS Number> (1,253)
42461-84-7

>  <Plate Location> (1,253)
g9

>  <Rack Number> (1,253)
L1700-08

$$$$
Imidapril.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,254)
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>  <Formula> (1,254)
C20H27N3O6

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Imidapril (Tanatril)

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S2109

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N/A

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RAAS

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Free Base

>  <URL> (1,254)
http://www.selleckchem.com/products/imidapril-tanatril.html

>  <CAS Number> (1,254)
89371-37-9

>  <Plate Location> (1,254)
h9

>  <Rack Number> (1,254)
L1700-08

$$$$
Dronedarone hydrochloride.cdx
csChFnd80/04011511122D

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 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,255)
1255

>  <Formula> (1,255)
C31H45ClN2O5S

>  <MolWeight> (1,255)
593.2174

>  <Item Name> (1,255)
Dronedarone HCl (Multaq)

>  <Catalog Number> (1,255)
S2114

>  <Synonyms> (1,255)
N/A

>  <Target> (1,255)
Others

>  <Form> (1,255)
HCl

>  <URL> (1,255)
http://www.selleckchem.com/products/dronedarone-hcl-multaq.html

>  <CAS Number> (1,255)
141625-93-6

>  <Plate Location> (1,255)
b10

>  <Rack Number> (1,255)
L1700-08

$$$$
Conivaptan hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,256)
1256

>  <Formula> (1,256)
C32H27ClN4O2

>  <MolWeight> (1,256)
535.03538

>  <Item Name> (1,256)
Conivaptan HCl (Vaprisol)

>  <Catalog Number> (1,256)
S2116

>  <Synonyms> (1,256)
N/A

>  <Target> (1,256)
Others

>  <Form> (1,256)
HCl

>  <URL> (1,256)
http://www.selleckchem.com/products/conivaptan-hcl-vaprisol.html

>  <CAS Number> (1,256)
168626-94-6

>  <Plate Location> (1,256)
c10

>  <Rack Number> (1,256)
L1700-08

$$$$

csChFnd80/04011511122D

 60 59  0  0  0  0  0  0  0  0999 V2000
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 43 46  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,257)
1257

>  <Formula> (1,257)
C44H76N4O10S2

>  <MolWeight> (1,257)
885.22504

>  <Item Name> (1,257)
Ibutilide fumarate

>  <Catalog Number> (1,257)
S2118

>  <Synonyms> (1,257)
N/A

>  <Target> (1,257)
Sodium Channel

>  <Form> (1,257)
Fumarate

>  <URL> (1,257)
http://www.selleckchem.com/products/ibutilide-fumarate.html

>  <CAS Number> (1,257)
122647-32-9

>  <Plate Location> (1,257)
d10

>  <Rack Number> (1,257)
L1700-08

$$$$
LORELCO (probucol).cdx
csChFnd80/04011511122D

 35 36  0  0  0  0  0  0  0  0999 V2000
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23288-49-5

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e10

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L1700-08

$$$$
Arbidol hydrochloride.cdx
csChFnd80/04011511122D

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Arbidol HCl

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S2120

>  <Synonyms> (1,259)
N/A

>  <Target> (1,259)
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HCl

>  <URL> (1,259)
http://www.selleckchem.com/products/Arbidol-hcl.html

>  <CAS Number> (1,259)
131707-23-8

>  <Plate Location> (1,259)
f10

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L1700-08

$$$$
Licofelone.cdx
csChFnd80/04011511122D

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COX

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>  <URL> (1,260)
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>  <CAS Number> (1,260)
156897-06-2

>  <Plate Location> (1,260)
g10

>  <Rack Number> (1,260)
L1700-08

$$$$
Dichlorphenamide.cdx
csChFnd80/04011511122D

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>  <Formula> (1,261)
C6H6Cl2N2O4S2

>  <MolWeight> (1,261)
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Dichlorphenamide (Diclofenamide)

>  <Catalog Number> (1,261)
S2177

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>  <Target> (1,261)
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>  <Form> (1,261)
Free Base

>  <URL> (1,261)
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>  <CAS Number> (1,261)
120-97-8

>  <Plate Location> (1,261)
a3

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L1700-09

$$$$
Levosimendan.cdx
csChFnd80/04011511122D

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C14H12N6O

>  <MolWeight> (1,262)
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S2446

>  <Synonyms> (1,262)
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>  <CAS Number> (1,262)
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g3

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L1700-11

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,263)
1263

>  <Formula> (1,263)
C24H30F2O6

>  <MolWeight> (1,263)
452.4882064

>  <Item Name> (1,263)
Fluocinolone acetonide (Flucort-N)

>  <Catalog Number> (1,263)
S2470

>  <Synonyms> (1,263)
Flucort-N

>  <Target> (1,263)
Others

>  <Form> (1,263)
Free Base

>  <URL> (1,263)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

>  <CAS Number> (1,263)
67-73-2

>  <Plate Location> (1,263)
h5

>  <Rack Number> (1,263)
L1700-11

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,264)
1264

>  <Formula> (1,264)
C18H23Cl2NO

>  <MolWeight> (1,264)
340.28732

>  <Item Name> (1,264)
Phenoxybenzamine HCl

>  <Catalog Number> (1,264)
S2499

>  <Synonyms> (1,264)
N/A

>  <Target> (1,264)
Androgen Receptor

>  <Form> (1,264)
HCl

>  <URL> (1,264)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

>  <CAS Number> (1,264)
63-92-3

>  <Plate Location> (1,264)
f8

>  <Rack Number> (1,264)
L1700-11

$$$$
Propafenone.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,265)
1265

>  <Formula> (1,265)
C21H27NO3

>  <MolWeight> (1,265)
341.44398

>  <Item Name> (1,265)
Propafenone (Rytmonorm)

>  <Catalog Number> (1,265)
S2500

>  <Synonyms> (1,265)
Rythmol SR, Rytmonorm

>  <Target> (1,265)
Sodium Channel

>  <Form> (1,265)
Free Base

>  <URL> (1,265)
http://www.selleckchem.com/products/Propafenone(Rytmonorm).html

>  <CAS Number> (1,265)
34183-22-7

>  <Plate Location> (1,265)
g8

>  <Rack Number> (1,265)
L1700-11

$$$$
Roxithromycin.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,266)
1266

>  <Formula> (1,266)
C41H76N2O15

>  <MolWeight> (1,266)
837.04654

>  <Item Name> (1,266)
Roxithromycin (Roxl-150)

>  <Catalog Number> (1,266)
S2506

>  <Synonyms> (1,266)
Roxl-150, Roxo, Surlid, Rulide, Biaxsig, Roxar, Roximycin, Roxomycin, Tirabicin, Coroxin

>  <Target> (1,266)
Others

>  <Form> (1,266)
Free Base

>  <URL> (1,266)
http://www.selleckchem.com/products/Roxithromycin(Roxl-150).html

>  <CAS Number> (1,266)
80214-83-1

>  <Plate Location> (1,266)
c9

>  <Rack Number> (1,266)
L1700-11

$$$$
Tenoxicam.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,267)
1267

>  <Formula> (1,267)
C13H11N3O4S2

>  <MolWeight> (1,267)
337.37414

>  <Item Name> (1,267)
Tenoxicam(Mobiflex)

>  <Catalog Number> (1,267)
S2512

>  <Synonyms> (1,267)
Mobiflex

>  <Target> (1,267)
Others

>  <Form> (1,267)
Free Base

>  <URL> (1,267)
http://www.selleckchem.com/products/Tenoxicam(Mobiflex).html

>  <CAS Number> (1,267)
59804-37-4

>  <Plate Location> (1,267)
g9

>  <Rack Number> (1,267)
L1700-11

$$$$
Sulbactam sodium.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,268)
1268

>  <Formula> (1,268)
C8H10NNaO5S

>  <MolWeight> (1,268)
255.22347

>  <Item Name> (1,268)
Sulbactam sodium (Unasyn)

>  <Catalog Number> (1,268)
S2551

>  <Synonyms> (1,268)
N/A

>  <Target> (1,268)
Others

>  <Form> (1,268)
Sodium

>  <URL> (1,268)
http://www.selleckchem.com/products/sulbactam-sodium-unasyn.html

>  <CAS Number> (1,268)
69388-84-7

>  <Plate Location> (1,268)
d2

>  <Rack Number> (1,268)
L1700-12

$$$$
Xylometazoline hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,269)
1269

>  <Formula> (1,269)
C16H25ClN2

>  <MolWeight> (1,269)
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>  <Item Name> (1,269)
Xylometazoline HCl

>  <Catalog Number> (1,269)
S2576

>  <Synonyms> (1,269)
N/A

>  <Target> (1,269)
Others

>  <Form> (1,269)
HCl

>  <URL> (1,269)
http://www.selleckchem.com/products/xylometazoline-hcl.html

>  <CAS Number> (1,269)
1218-35-5

>  <Plate Location> (1,269)
d4

>  <Rack Number> (1,269)
L1700-12

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,270)
1270

>  <Formula> (1,270)
C19H19N3O6

>  <MolWeight> (1,270)
385.37066

>  <Item Name> (1,270)
Nilvadipine (ARC029)

>  <Catalog Number> (1,270)
S2721

>  <Synonyms> (1,270)
N/A

>  <Target> (1,270)
Calcium Channel

>  <Form> (1,270)
Free Base

>  <URL> (1,270)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (1,270)
75530-68-6

>  <Plate Location> (1,270)
h4

>  <Rack Number> (1,270)
L1700-13

$$$$
PJ34.cdx
csChFnd80/04011511122D

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csChFnd80/04011511122D

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Zaltoprofen.cdx
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Pazopanib.cdx
csChFnd80/04011511122D

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g1

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L1700-15

$$$$
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50-78-2

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GABA Receptor

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pim inhibitor I(SMI-4a).cdx
csChFnd80/04011511122D

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b2

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$$$$
VE-821.cdx
csChFnd80/04011511122D

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N/A

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ATM/ATR

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Free Base

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http://www.selleckchem.com/products/ve-821.html

>  <CAS Number> (1,282)
1232410-49-9

>  <Plate Location> (1,282)
d2

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L1700-22

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/04011511122D

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>  <Catalog Number> (1,283)
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>  <Synonyms> (1,283)
Agenerase

>  <Target> (1,283)
HIV Protease

>  <Form> (1,283)
Free Base

>  <URL> (1,283)
http://www.selleckchem.com/products/Amprenavir-(Agenerase).html

>  <CAS Number> (1,283)
161814-49-9

>  <Plate Location> (1,283)
f10

>  <Rack Number> (1,283)
L1700-05

$$$$
PREZISTA (darunavir ethanolate).cdx
csChFnd80/04011511122D

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>  <Formula> (1,284)
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>  <MolWeight> (1,284)
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>  <Item Name> (1,284)
Darunavir Ethanolate (Prezista)

>  <Catalog Number> (1,284)
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>  <Synonyms> (1,284)
Prezista, TMC114

>  <Target> (1,284)
HIV Protease

>  <Form> (1,284)
Ethanolate

>  <URL> (1,284)
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>  <CAS Number> (1,284)
635728-49-3

>  <Plate Location> (1,284)
h8

>  <Rack Number> (1,284)
L1700-05

$$$$
Proparacaine hydrochloride.cdx
csChFnd80/04011511122D

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Proparacaine HCl

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$$$$
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csChFnd80/04011511122D

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p53

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HBr

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63208-82-2

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g11

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L1700-14

$$$$
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csChFnd80/04011511122D

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C11H15N5O4

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N6-methyladenosine

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>  <Synonyms> (1,296)
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>  <Target> (1,296)
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Free Base

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1867-73-8

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c2

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L1700-16

$$$$
CGS-21680 hydrochloride.cdx
csChFnd80/04011511122D

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>  <Formula> (1,297)
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CGS 21680 HCl

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HCl

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124431-80-7

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L1700-09

$$$$
Epiandrosterone.cdx
csChFnd80/04011511122D

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>  <Item Name> (1,298)
Epiandrosterone (3¦Â-androsterone)

>  <Catalog Number> (1,298)
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N/A

>  <Target> (1,298)
Estrogen/progestogen Receptor

>  <Form> (1,298)
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>  <URL> (1,298)
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481-29-8

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d3

>  <Rack Number> (1,298)
L1700-14

$$$$
Cathepsin Inhibitor 1.cdx
csChFnd80/04011511122D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,299)
1299

>  <Formula> (1,299)
C20H24ClN5O2

>  <MolWeight> (1,299)
401.88986

>  <Item Name> (1,299)
Cathepsin Inhibitor 1

>  <Catalog Number> (1,299)
S2847

>  <Synonyms> (1,299)
N/A

>  <Target> (1,299)
Others

>  <Form> (1,299)
Free Base

>  <URL> (1,299)
http://www.selleckchem.com/products/cathepsin-Inhibitor-1.html

>  <CAS Number> (1,299)
225120-65-0

>  <Plate Location> (1,299)
a4

>  <Rack Number> (1,299)
L1700-14

$$$$

csChFnd80/04011511122D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
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1300

>  <Formula> (1,300)
C22H23ClKN6O

>  <MolWeight> (1,300)
462.00892

>  <Item Name> (1,300)
Losartan potassium

>  <Catalog Number> (1,300)
S1359

>  <Synonyms> (1,300)
Cozaar

>  <Target> (1,300)
RAAS

>  <Form> (1,300)
Potassium

>  <URL> (1,300)
http://www.selleckchem.com/products/losartan-potassium.html

>  <CAS Number> (1,300)
124750-99-8

>  <Plate Location> (1,300)
c11

>  <Rack Number> (1,300)
L1700-03

$$$$
ZAGAM (sparfloxacin).cdx
csChFnd80/04011511122D

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1301

>  <Formula> (1,301)
C19H22F2N4O3

>  <MolWeight> (1,301)
392.3997864

>  <Item Name> (1,301)
Sparfloxacin

>  <Catalog Number> (1,301)
S1884

>  <Synonyms> (1,301)
N/A

>  <Target> (1,301)
Others

>  <Form> (1,301)
Free Base

>  <URL> (1,301)
http://www.selleckchem.com/products/sparfloxacin.html

>  <CAS Number> (1,301)
110871-86-8

>  <Plate Location> (1,301)
b5

>  <Rack Number> (1,301)
L1700-07

$$$$
Tolnaftate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,302)
1302

>  <Formula> (1,302)
C19H17NOS

>  <MolWeight> (1,302)
307.40938

>  <Item Name> (1,302)
Tolnaftate

>  <Catalog Number> (1,302)
S2058

>  <Synonyms> (1,302)
N/A

>  <Target> (1,302)
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>  <Form> (1,302)
Free Base

>  <URL> (1,302)
http://www.selleckchem.com/products/tolnaftate.html

>  <CAS Number> (1,302)
2398-96-1

>  <Plate Location> (1,302)
h5

>  <Rack Number> (1,302)
L1700-08

$$$$
Ozagrel hydrochloride.cdx
csChFnd80/04011511122D

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C13H13ClN2O2

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Ozagrel HCl 

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S2067

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N/A

>  <Target> (1,303)
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h6

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L1700-08

$$$$
Arecoline hydrobromide.cdx
csChFnd80/04011511122D

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Arecoline

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S2614

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N/A

>  <Target> (1,304)
AChR

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HBr

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>  <CAS Number> (1,304)
300-08-3 

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e7

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L1700-12

$$$$
AG 18.cdx
csChFnd80/04011511122D

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C10H6N2O2

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AG 18 (Tyrphostin 23)

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S8009

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RG-50810

>  <Target> (1,305)
EGFR

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Free Base

>  <URL> (1,305)
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>  <CAS Number> (1,305)
118409-57-7

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e2

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L1700-22

$$$$
OSI-906.cdx
csChFnd80/04011511122D

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1306

>  <Formula> (1,306)
C26H23N5O

>  <MolWeight> (1,306)
421.49372

>  <Item Name> (1,306)
OSI-906 (Linsitinib)

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S1091

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N/A

>  <Target> (1,306)
IGF-1R

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Free Base

>  <URL> (1,306)
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>  <CAS Number> (1,306)
867160-71-2

>  <Plate Location> (1,306)
f9

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L1700-01

$$$$
aicar.cdx
csChFnd80/04011511122D

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1307

>  <Formula> (1,307)
C9H14N4O5

>  <MolWeight> (1,307)
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>  <Item Name> (1,307)
Acadesine

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S1802

>  <Synonyms> (1,307)
AICAR, AICA-riboside

>  <Target> (1,307)
AMPK

>  <Form> (1,307)
Free Base

>  <URL> (1,307)
http://www.selleckchem.com/products/Acadesine.html

>  <CAS Number> (1,307)
2627-69-2

>  <Plate Location> (1,307)
f11

>  <Rack Number> (1,307)
L1700-06

$$$$

csChFnd80/04011511122D

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1260141-27-2

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a3

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L1700-22

$$$$
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csChFnd80/04011511122D

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N/A

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Dopamine Receptor

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http://www.selleckchem.com/products/Pergolide-mesylate.html

>  <CAS Number> (1,313)
66104-23-2

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b4

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L1700-16

$$$$
AP26113.cdx
csChFnd80/04011511122D

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ALK

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1197958-12-5

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e2

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$$$$
Lu AA21004(vortioxetine).cdx
csChFnd80/04011511122D

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N/A

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Hydrobromide

>  <URL> (1,315)
http://www.selleckchem.com/products/vortioxetine-lu-aa21004-hydrobromide.html

>  <CAS Number> (1,315)
960203-27-4

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d3

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L1700-22

$$$$
GW 0742.cdx
csChFnd80/04011511122D

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Cabozantinib malate

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VEGFR

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Malate

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1140909-48-3

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c4

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L1700-16

$$$$
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1255517-76-0

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d2

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L1700-09

$$$$
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1390637-82-7

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h10

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L1700-14

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M  END
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>  <Formula> (1,324)
C18H33ClN2O5S

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Clindamycin

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S2830

>  <Synonyms> (1,324)
N/A

>  <Target> (1,324)
Others

>  <Form> (1,324)
Free Base

>  <URL> (1,324)
http://www.selleckchem.com/products/clindamycin.html

>  <CAS Number> (1,324)
18323-44-9

>  <Plate Location> (1,324)
c3

>  <Rack Number> (1,324)
L1700-14

$$$$
PF-04171426.cdx
csChFnd80/04011511122D

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C15H24N4O4

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UK 383367

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S2224

>  <Synonyms> (1,325)
UK-383367

>  <Target> (1,325)
Procollagen C Proteinase

>  <Form> (1,325)
Free Base

>  <URL> (1,325)
http://www.selleckchem.com/products/uk-383367.html

>  <CAS Number> (1,325)
348622-88-8

>  <Plate Location> (1,325)
e6

>  <Rack Number> (1,325)
L1700-09

$$$$
PF-05208749.cdx
csChFnd80/04011511122D

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1326

>  <Formula> (1,326)
C30H35ClN2O3

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>  <Item Name> (1,326)
Bazedoxifene HCl

>  <Catalog Number> (1,326)
S2128

>  <Synonyms> (1,326)
PF-05208749 HCl

>  <Target> (1,326)
Estrogen/progestin receptor

>  <Form> (1,326)
Free Base

>  <URL> (1,326)
http://www.selleckchem.com/products/bazedoxifene-hcl.html

>  <CAS Number> (1,326)
198480-56-7

>  <Plate Location> (1,326)
e11

>  <Rack Number> (1,326)
L1700-08

$$$$
PF-06405761.cdx
csChFnd80/04011511122D

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C16H17N3O4S

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PFI-1(PF-6405761) 

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>  <Synonyms> (1,327)
PF-06405761

>  <Target> (1,327)
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>  <Form> (1,327)
Free Base

>  <URL> (1,327)
http://www.selleckchem.com/products/pfl-1.html

>  <CAS Number> (1,327)
1403764-72-6

>  <Plate Location> (1,327)
e11

>  <Rack Number> (1,327)
L1700-02

$$$$
SL327.cdx
csChFnd80/04011511122D

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>  <Formula> (1,328)
C16H12F3N3S

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>  <Catalog Number> (1,328)
S1066

>  <Synonyms> (1,328)
N/A

>  <Target> (1,328)
MEK

>  <Form> (1,328)
Free Base

>  <URL> (1,328)
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>  <CAS Number> (1,328)
305350-87-2

>  <Plate Location> (1,328)
c7

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L1700-01

$$$$
acebutolol hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,329)
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>  <Formula> (1,329)
C18H29ClN2O4

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Acebutolol HCl

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S4010

>  <Synonyms> (1,329)
N/A

>  <Target> (1,329)
Adrenergic Receptor

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HCl

>  <URL> (1,329)
http://www.selleckchem.com/products/acebutolol-hcl.html

>  <CAS Number> (1,329)
34381-68-5

>  <Plate Location> (1,329)
b5

>  <Rack Number> (1,329)
L1700-16

$$$$
Ampiroxicam.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,330)
1330

>  <Formula> (1,330)
C20H21N3O7S

>  <MolWeight> (1,330)
447.46164

>  <Item Name> (1,330)
Ampiroxicam

>  <Catalog Number> (1,330)
S4011

>  <Synonyms> (1,330)
N/A

>  <Target> (1,330)
COX

>  <Form> (1,330)
Free Base

>  <URL> (1,330)
http://www.selleckchem.com/products/ampiroxicam.html

>  <CAS Number> (1,330)
99464-64-9

>  <Plate Location> (1,330)
c5

>  <Rack Number> (1,330)
L1700-16

$$$$
Doxycycline Hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,331)
1331

>  <Formula> (1,331)
C22H25ClN2O8

>  <MolWeight> (1,331)
480.8955

>  <Item Name> (1,331)
Doxycycline HCl

>  <Catalog Number> (1,331)
S4005

>  <Synonyms> (1,331)
N/A

>  <Target> (1,331)
Others

>  <Form> (1,331)
HCl

>  <URL> (1,331)
http://www.selleckchem.com/products/doxycycline-hcl.html

>  <CAS Number> (1,331)
10592-13-9

>  <Plate Location> (1,331)
g4

>  <Rack Number> (1,331)
L1700-16

$$$$
Lithocholic acid.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,332)
1332

>  <Formula> (1,332)
C24H40O3

>  <MolWeight> (1,332)
376.5726

>  <Item Name> (1,332)
Lithocholic acid

>  <Catalog Number> (1,332)
S4003

>  <Synonyms> (1,332)
N/A

>  <Target> (1,332)
Others

>  <Form> (1,332)
Free Base

>  <URL> (1,332)
http://www.selleckchem.com/products/lithocholic-acid.html

>  <CAS Number> (1,332)
434-13-9

>  <Plate Location> (1,332)
e4

>  <Rack Number> (1,332)
L1700-16

$$$$
Mirabegron.cdx
csChFnd80/04011511122D

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1342

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C27H40N8O7

>  <MolWeight> (1,342)
588.6559

>  <Item Name> (1,342)
Cilengitide (EMD 121974, NSC 707544)

>  <Catalog Number> (1,342)
S7077

>  <Synonyms> (1,342)
N/A

>  <Target> (1,342)
Others

>  <Form> (1,342)
Free Base

>  <URL> (1,342)
http://www.selleckchem.com/products/cilengitide-emd-121974-nsc-707544.html

>  <CAS Number> (1,342)
188968-51-6

>  <Plate Location> (1,342)
d6

>  <Rack Number> (1,342)
L1700-19

$$$$
N-Methyl-D-aspartic acid£¨NMDA£©.cdx
csChFnd80/04011511122D

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1343

>  <Formula> (1,343)
C5H9NO4

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NMDA (N-Methyl-D-aspartic acid)

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S7072

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N/A

>  <Target> (1,343)
GluR

>  <Form> (1,343)
Free Base

>  <URL> (1,343)
http://www.selleckchem.com/products/nmda-n-methyl-d-aspartic-acid.html

>  <CAS Number> (1,343)
6384-92-5

>  <Plate Location> (1,343)
b6

>  <Rack Number> (1,343)
L1700-19

$$$$
BENEMID (probenecid).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,344)
1344

>  <Formula> (1,344)
C13H19NO4S

>  <MolWeight> (1,344)
285.35926

>  <Item Name> (1,344)
Probenecid (Benemid) 

>  <Catalog Number> (1,344)
S4022

>  <Synonyms> (1,344)
Probalan

>  <Target> (1,344)
Others

>  <Form> (1,344)
Free Base

>  <URL> (1,344)
http://www.selleckchem.com/products/probenecid-benemid.html

>  <CAS Number> (1,344)
57-66-9

>  <Plate Location> (1,344)
d6

>  <Rack Number> (1,344)
L1700-16

$$$$
procaine hydrochloride.cdx
csChFnd80/04011511122D

 18 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,345)
1345

>  <Formula> (1,345)
C13H21ClN2O2

>  <MolWeight> (1,345)
272.77104

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Procaine (Novocaine) HCl

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S4023

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N/A

>  <Target> (1,345)
Sodium Channel

>  <Form> (1,345)
HCl

>  <URL> (1,345)
http://www.selleckchem.com/products/procaine-novocaine-hcl.html

>  <CAS Number> (1,345)
51-05-8

>  <Plate Location> (1,345)
e6

>  <Rack Number> (1,345)
L1700-16

$$$$
Sodium picosulfate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,346)
1346

>  <Formula> (1,346)
C18H13NNa2O8S2

>  <MolWeight> (1,346)
481.40726

>  <Item Name> (1,346)
Sodium Picosulfate

>  <Catalog Number> (1,346)
S4020

>  <Synonyms> (1,346)
Sodium Picosulphate

>  <Target> (1,346)
Others

>  <Form> (1,346)
Sodium Salt

>  <URL> (1,346)
http://www.selleckchem.com/products/sodium-picosulfate.html

>  <CAS Number> (1,346)
10040-45-6

>  <Plate Location> (1,346)
b6

>  <Rack Number> (1,346)
L1700-16

$$$$
Tolcapone.cdx
csChFnd80/04011511122D

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csChFnd80/04011511122D

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>  <URL> (1,353)
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1101854-58-3

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b1

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L1700-19

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Nabumetone.cdx
csChFnd80/04011511122D

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42924-53-8

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sertraline hydrochloride.cdx
csChFnd80/04011511122D

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>  <Formula> (1,355)
C17H18Cl3N

>  <MolWeight> (1,355)
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S4053

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N/A

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HCl

>  <URL> (1,355)
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>  <CAS Number> (1,355)
79559-97-0

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d9

>  <Rack Number> (1,355)
L1700-16

$$$$
ABT-199.cdx
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$$$$
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EPZ-5676.cdx
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CFTR

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methyclothiazide.cdx
csChFnd80/04011511122D

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135-07-9

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g9

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L1700-16

$$$$
retapamulin.cdx
csChFnd80/04011511122D

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224452-66-8

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f9

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csChFnd80/04011511122D

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7681-76-7

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$$$$
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>  <Formula> (1,367)
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>  <MolWeight> (1,367)
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>  <Item Name> (1,367)
Ropivacaine HCl

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S4058

>  <Synonyms> (1,367)
N/A

>  <Target> (1,367)
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>  <Form> (1,367)
HCl

>  <URL> (1,367)
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>  <CAS Number> (1,367)
98717-15-8

>  <Plate Location> (1,367)
h9

>  <Rack Number> (1,367)
L1700-16

$$$$
Sodium nitroprusside.cdx
csChFnd80/04011511122D

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-2
M  END
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Sodium Nitroprusside

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S4059

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>  <Target> (1,368)
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Sodium Salt

>  <URL> (1,368)
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>  <CAS Number> (1,368)
14402-89-2

>  <Plate Location> (1,368)
a10

>  <Rack Number> (1,368)
L1700-16

$$$$
Vitamin D3.cdx
csChFnd80/04011511122D

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M  END
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1369

>  <Formula> (1,369)
C27H44O

>  <MolWeight> (1,369)
384.63766

>  <Item Name> (1,369)
Vitamin D3 (Cholecalciferol)

>  <Catalog Number> (1,369)
S4063

>  <Synonyms> (1,369)
N/A

>  <Target> (1,369)
Others

>  <Form> (1,369)
Free Base

>  <URL> (1,369)
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>  <CAS Number> (1,369)
67-97-0

>  <Plate Location> (1,369)
c10

>  <Rack Number> (1,369)
L1700-16

$$$$
Empagliflozin (BI10773).cdx
csChFnd80/04011511122D

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1370

>  <Formula> (1,370)
C23H27ClO7

>  <MolWeight> (1,370)
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>  <Item Name> (1,370)
Empagliflozin (BI10773)

>  <Catalog Number> (1,370)
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>  <Target> (1,370)
SGLT

>  <Form> (1,370)
Free Base

>  <URL> (1,370)
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>  <CAS Number> (1,370)
864070-44-0

>  <Plate Location> (1,370)
e3

>  <Rack Number> (1,370)
L1700-22

$$$$
Nafcillin sodium monohydrate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,371)
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>  <Formula> (1,371)
C21H23N2NaO6S

>  <MolWeight> (1,371)
454.47189

>  <Item Name> (1,371)
Nafcillin Sodium

>  <Catalog Number> (1,371)
S4042

>  <Synonyms> (1,371)
N/A

>  <Target> (1,371)
Others

>  <Form> (1,371)
Free Base

>  <URL> (1,371)
http://www.selleckchem.com/products/nafcillin-sodium.html

>  <CAS Number> (1,371)
7177-50-6

>  <Plate Location> (1,371)
b8

>  <Rack Number> (1,371)
L1700-16

$$$$
norethindrone.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,372)
1372

>  <Formula> (1,372)
C20H26O2

>  <MolWeight> (1,372)
298.41924

>  <Item Name> (1,372)
Norethindrone (Norethisterone)

>  <Catalog Number> (1,372)
S4040

>  <Synonyms> (1,372)
N/A

>  <Target> (1,372)
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>  <Form> (1,372)
Free Base

>  <URL> (1,372)
http://www.selleckchem.com/products/norethindrone-norethisterone.html

>  <CAS Number> (1,372)
68-22-4

>  <Plate Location> (1,372)
h7

>  <Rack Number> (1,372)
L1700-16

$$$$
olsalazine sodium.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,373)
1373

>  <Formula> (1,373)
C14H8N2Na2O6

>  <MolWeight> (1,373)
346.20266

>  <Item Name> (1,373)
Olsalazine Sodium

>  <Catalog Number> (1,373)
S4041

>  <Synonyms> (1,373)
N/A

>  <Target> (1,373)
Others

>  <Form> (1,373)
Free Base

>  <URL> (1,373)
http://www.selleckchem.com/products/olsalazine-sodium.html

>  <CAS Number> (1,373)
6054-98-4

>  <Plate Location> (1,373)
a8

>  <Rack Number> (1,373)
L1700-16

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,374)
1374

>  <Formula> (1,374)
C13H17ClN2

>  <MolWeight> (1,374)
236.74048

>  <Item Name> (1,374)
Tetrahydrozoline HCl

>  <Catalog Number> (1,374)
S4043

>  <Synonyms> (1,374)
N/A

>  <Target> (1,374)
Adrenergic Receptor

>  <Form> (1,374)
Free Base

>  <URL> (1,374)
http://www.selleckchem.com/products/tetrahydrozoline-hcl.html

>  <CAS Number> (1,374)
522-48-5

>  <Plate Location> (1,374)
c8

>  <Rack Number> (1,374)
L1700-16

$$$$
Toltrazuril.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,375)
1375

>  <Formula> (1,375)
C18H14F3N3O4S

>  <MolWeight> (1,375)
425.3816696

>  <Item Name> (1,375)
Toltrazuril

>  <Catalog Number> (1,375)
S4044

>  <Synonyms> (1,375)
N/A

>  <Target> (1,375)
Others

>  <Form> (1,375)
Free Base

>  <URL> (1,375)
http://www.selleckchem.com/products/toltrazuril.html

>  <CAS Number> (1,375)
69004-03-1

>  <Plate Location> (1,375)
d8

>  <Rack Number> (1,375)
L1700-16

$$$$
Pentamidine hcl.cdx
csChFnd80/04011511122D

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 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
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,376)
1376

>  <Formula> (1,376)
C19H26Cl2N4O2

>  <MolWeight> (1,376)
413.34134

>  <Item Name> (1,376)
Pentamidine HCl

>  <Catalog Number> (1,376)
S4007

>  <Synonyms> (1,376)
N/A

>  <Target> (1,376)
Others

>  <Form> (1,376)
HCl

>  <URL> (1,376)
http://www.selleckchem.com/products/pentamidine.html

>  <CAS Number> (1,376)
50357-45-4

>  <Plate Location> (1,376)
h4

>  <Rack Number> (1,376)
L1700-16

$$$$
Dibucaine HCL.cdx
csChFnd80/04011511122D

 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
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  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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 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
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 18 20  1  0  0  0  0
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 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> (1,377)
1377

>  <Formula> (1,377)
C20H30ClN3O2

>  <MolWeight> (1,377)
379.9241

>  <Item Name> (1,377)
Dibucaine (Cinchocaine) HCl

>  <Catalog Number> (1,377)
S4038

>  <Synonyms> (1,377)
N/A

>  <Target> (1,377)
Sodium Channel

>  <Form> (1,377)
Free Base

>  <URL> (1,377)
http://www.selleckchem.com/products/dibucaine-cinchocaine-hcl.html

>  <CAS Number> (1,377)
61-12-1

>  <Plate Location> (1,377)
f7

>  <Rack Number> (1,377)
L1700-16

$$$$
Diphemanil methylsulfate.cdx
csChFnd80/04011511122D

 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
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    0.0000    5.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  4 10  2  0  0  0  0
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  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
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 10 16  1  0  0  0  0
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M  CFW   0 B_NG_STER 2
M  END
>  <Mol_ID> (1,378)
1378

>  <Formula> (1,378)
C21H27NO4S

>  <MolWeight> (1,378)
389.50838

>  <Item Name> (1,378)
Diphemanil Methylsulfate

>  <Catalog Number> (1,378)
S4034

>  <Synonyms> (1,378)
N/A

>  <Target> (1,378)
AChR

>  <Form> (1,378)
Methylsulfate

>  <URL> (1,378)
http://www.selleckchem.com/products/diphemanil-methylsulfate.html

>  <CAS Number> (1,378)
62-97-5

>  <Plate Location> (1,378)
c7

>  <Rack Number> (1,378)
L1700-16

$$$$
Doxapram HCl.cdx
csChFnd80/04011511122D

 30 31  0  0  0  0  0  0  0  0999 V2000
    8.2658    4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289    5.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4251    5.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
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 13  3  1  0  0  0  0
 10  4  1  0  0  0  0
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 14  6  1  0  0  0  0
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 21  9  1  0  0  0  0
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 26 18  1  0  0  0  0
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 27 25  1  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,379)
1379

>  <Formula> (1,379)
C24H33ClN2O3

>  <MolWeight> (1,379)
432.98342

>  <Item Name> (1,379)
Doxapram HCl

>  <Catalog Number> (1,379)
S4037

>  <Synonyms> (1,379)
N/A

>  <Target> (1,379)
Others

>  <Form> (1,379)
HCl

>  <URL> (1,379)
http://www.selleckchem.com/products/doxapram-hcl.html

>  <CAS Number> (1,379)
7081-53-0

>  <Plate Location> (1,379)
e7

>  <Rack Number> (1,379)
L1700-16

$$$$
Vitamin D2.cdx
csChFnd80/04011511122D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,380)
1380

>  <Formula> (1,380)
C28H44O

>  <MolWeight> (1,380)
396.64836

>  <Item Name> (1,380)
Vitamin D2 (Ergocalciferol)

>  <Catalog Number> (1,380)
S4035

>  <Synonyms> (1,380)
N/A

>  <Target> (1,380)
Others

>  <Form> (1,380)
Free Base

>  <URL> (1,380)
http://www.selleckchem.com/products/vitamin-d2-ergocalciferol.html

>  <CAS Number> (1,380)
50-14-6

>  <Plate Location> (1,380)
d7

>  <Rack Number> (1,380)
L1700-16

$$$$
(+)-JQ1.cdx
csChFnd80/04011511122D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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M  END
>  <Mol_ID> (1,381)
1381

>  <Formula> (1,381)
C23H25ClN4O2S

>  <MolWeight> (1,381)
456.9882

>  <Item Name> (1,381)
(+)-JQ1

>  <Catalog Number> (1,381)
S7110

>  <Synonyms> (1,381)
N/A

>  <Target> (1,381)
BET

>  <Form> (1,381)
Free Base

>  <URL> (1,381)
http://www.selleckchem.com/products/jq1.html

>  <CAS Number> (1,381)
1268524-70-4

>  <Plate Location> (1,381)
h8

>  <Rack Number> (1,381)
L1700-19

$$$$
Desvenlafaxine.cdx
csChFnd80/04011511122D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.5464    3.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  0  0  0  0
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 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,382)
1382

>  <Formula> (1,382)
C16H25NO2

>  <MolWeight> (1,382)
263.3752

>  <Item Name> (1,382)
Desvenlafaxine

>  <Catalog Number> (1,382)
S4113

>  <Synonyms> (1,382)
O-desmethylvenlafaxine

>  <Target> (1,382)
5-HT Receptor

>  <Form> (1,382)
Free Base

>  <URL> (1,382)
http://www.selleckchem.com/products/desvenlafaxine.html

>  <CAS Number> (1,382)
93413-62-8

>  <Plate Location> (1,382)
d4

>  <Rack Number> (1,382)
L1700-17

$$$$
Desvenlafaxine succinate.cdx
csChFnd80/04011511122D

 27 27  0  0  0  0  0  0  0  0999 V2000
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  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,383)
1383

>  <Formula> (1,383)
C20H31NO6

>  <MolWeight> (1,383)
381.46324

>  <Item Name> (1,383)
Desvenlafaxine Succinate

>  <Catalog Number> (1,383)
S4112

>  <Synonyms> (1,383)
N/A

>  <Target> (1,383)
5-HT Receptor

>  <Form> (1,383)
Succinate

>  <URL> (1,383)
http://www.selleckchem.com/products/desvenlafaxine-succinate.html

>  <CAS Number> (1,383)
386750-22-7

>  <Plate Location> (1,383)
c4

>  <Rack Number> (1,383)
L1700-17

$$$$
Dicloxacillin sodium.cdx
csChFnd80/04011511122D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4364    5.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    5.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  9  1  0  0  0  0
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 28 29  2  0  0  0  0
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 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,384)
1384

>  <Formula> (1,384)
C19H18Cl2N3NaO6S

>  <MolWeight> (1,384)
510.32349

>  <Item Name> (1,384)
Dicloxacillin Sodium

>  <Catalog Number> (1,384)
S4111

>  <Synonyms> (1,384)
Diclocil

>  <Target> (1,384)
Others

>  <Form> (1,384)
Sodium Salt

>  <URL> (1,384)
http://www.selleckchem.com/products/dicloxacillin-sodium.html

>  <CAS Number> (1,384)
13412-64-1

>  <Plate Location> (1,384)
b4

>  <Rack Number> (1,384)
L1700-17

$$$$
Estradiol benzoate.cdx
csChFnd80/04011511122D

 31 35  0  0  0  0  0  0  0  0999 V2000
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C25H28O3

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>  <Item Name> (1,385)
Estradiol Benzoate

>  <Catalog Number> (1,385)
S4110

>  <Synonyms> (1,385)
N/A

>  <Target> (1,385)
Others

>  <Form> (1,385)
Free Base

>  <URL> (1,385)
http://www.selleckchem.com/products/estradiol-benzoate.html

>  <CAS Number> (1,385)
50-50-0

>  <Plate Location> (1,385)
a4

>  <Rack Number> (1,385)
L1700-17

$$$$
lorcaserin hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,386)
1386

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C11H15Cl2N

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232.1495

>  <Item Name> (1,386)
Lorcaserin HCl

>  <Catalog Number> (1,386)
S4109

>  <Synonyms> (1,386)
APD-356

>  <Target> (1,386)
5-HT Receptor

>  <Form> (1,386)
HCl

>  <URL> (1,386)
http://www.selleckchem.com/products/lorcaserin-hcl.html

>  <CAS Number> (1,386)
846589-98-8

>  <Plate Location> (1,386)
h3

>  <Rack Number> (1,386)
L1700-17

$$$$
GSK J4 HCL.cdx
csChFnd80/04011511122D

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1387

>  <Formula> (1,387)
C24H28ClN5O2

>  <MolWeight> (1,387)
453.96442

>  <Item Name> (1,387)
GSK J4 HCl

>  <Catalog Number> (1,387)
S7070

>  <Synonyms> (1,387)
N/A

>  <Target> (1,387)
Others

>  <Form> (1,387)
HCl

>  <URL> (1,387)
http://www.selleckchem.com/products/gsk-j4-hcl.html

>  <CAS Number> (1,387)
1373423-53-0(free base)

>  <Plate Location> (1,387)
h5

>  <Rack Number> (1,387)
L1700-19

$$$$
STATTIC.cdx
csChFnd80/04011511122D

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C8H5NO4S

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>  <Item Name> (1,388)
Stattic

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S7024

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N/A

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STAT

>  <Form> (1,388)
Free Base

>  <URL> (1,388)
http://www.selleckchem.com/products/stattic.html

>  <CAS Number> (1,388)
19983-44-9

>  <Plate Location> (1,388)
e3

>  <Rack Number> (1,388)
L1700-19

$$$$
Tariquidar.cdx
csChFnd80/04011511122D

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a4

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L1700-22

$$$$
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csChFnd80/04011511122D

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$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/04011511122D

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C20H21N3O2

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Tubastatin A

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S8049

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HDAC

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1252003-15-8

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a6

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$$$$
Aminosalicylate sodium.cdx
csChFnd80/04011511122D

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133-10-8

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b11

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L1700-16

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csChFnd80/04011511122D

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181695-72-7

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$$$$
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csChFnd80/04011511122D

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$$$$
Carbimazole.cdx
csChFnd80/04011511122D

 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> (1,395)
1395

>  <Formula> (1,395)
C7H10N2O2S

>  <MolWeight> (1,395)
186.2315

>  <Item Name> (1,395)
Carbimazole

>  <Catalog Number> (1,395)
S4048

>  <Synonyms> (1,395)
N/A

>  <Target> (1,395)
Others

>  <Form> (1,395)
Free Base

>  <URL> (1,395)
http://www.selleckchem.com/products/carbimazole.html

>  <CAS Number> (1,395)
22232-54-8

>  <Plate Location> (1,395)
h8

>  <Rack Number> (1,395)
L1700-16

$$$$
Decamethonium bromide.cdx
csChFnd80/04011511122D

 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> (1,396)
1396

>  <Formula> (1,396)
C16H38Br2N2

>  <MolWeight> (1,396)
418.29432

>  <Item Name> (1,396)
Decamethonium Bromide

>  <Catalog Number> (1,396)
S4072

>  <Synonyms> (1,396)
Syncurine

>  <Target> (1,396)
AChR

>  <Form> (1,396)
Bromide

>  <URL> (1,396)
http://www.selleckchem.com/products/decamethonium-bromide.html

>  <CAS Number> (1,396)
541-22-0

>  <Plate Location> (1,396)
a11

>  <Rack Number> (1,396)
L1700-16

$$$$
Estradiol cypionate.cdx
csChFnd80/04011511122D

 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> (1,397)
1397

>  <Formula> (1,397)
C26H36O3

>  <MolWeight> (1,397)
396.56224

>  <Item Name> (1,397)
Estradiol Cypionate

>  <Catalog Number> (1,397)
S4046

>  <Synonyms> (1,397)
N/A

>  <Target> (1,397)
Estrogen/progestogen Receptor

>  <Form> (1,397)
Free Base

>  <URL> (1,397)
http://www.selleckchem.com/products/estradiol-cypionate.html

>  <CAS Number> (1,397)
313-06-4

>  <Plate Location> (1,397)
f8

>  <Rack Number> (1,397)
L1700-16

$$$$
Griseofulvin.cdx
csChFnd80/04011511122D

 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> (1,398)
1398

>  <Formula> (1,398)
C17H17ClO6

>  <MolWeight> (1,398)
352.76628

>  <Item Name> (1,398)
Griseofulvin

>  <Catalog Number> (1,398)
S4071

>  <Synonyms> (1,398)
N/A

>  <Target> (1,398)
Microtubule Associated

>  <Form> (1,398)
Free Base

>  <URL> (1,398)
http://www.selleckchem.com/products/griseofulvin.html

>  <CAS Number> (1,398)
126-07-8

>  <Plate Location> (1,398)
h10

>  <Rack Number> (1,398)
L1700-16

$$$$
Guanidine HCl.cdx
csChFnd80/04011511122D

  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> (1,399)
1399

>  <Formula> (1,399)
CH6ClN3

>  <MolWeight> (1,399)
95.53144

>  <Item Name> (1,399)
Guanidine (Aminoformamidine) HCl

>  <Catalog Number> (1,399)
S4070

>  <Synonyms> (1,399)
N/A

>  <Target> (1,399)
Others

>  <Form> (1,399)
HCl

>  <URL> (1,399)
http://www.selleckchem.com/products/guanidine-aminoformamidine-hcl.html

>  <CAS Number> (1,399)
50-01-1

>  <Plate Location> (1,399)
g10

>  <Rack Number> (1,399)
L1700-16

$$$$
Mefenamic acid.cdx
csChFnd80/04011511122D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 12 18  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,400)
1400

>  <Formula> (1,400)
C15H15NO2

>  <MolWeight> (1,400)
241.2851

>  <Item Name> (1,400)
Mefenamic Acid

>  <Catalog Number> (1,400)
S4078

>  <Synonyms> (1,400)
N/A

>  <Target> (1,400)
COX

>  <Form> (1,400)
Free Base

>  <URL> (1,400)
http://www.selleckchem.com/products/mefenamic-acid.html

>  <CAS Number> (1,400)
61-68-7

>  <Plate Location> (1,400)
g11

>  <Rack Number> (1,400)
L1700-16

$$$$
Mequinol.cdx
csChFnd80/04011511122D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,401)
1401

>  <Formula> (1,401)
C7H8O2

>  <MolWeight> (1,401)
124.13722

>  <Item Name> (1,401)
Mequinol

>  <Catalog Number> (1,401)
S4077

>  <Synonyms> (1,401)
N/A

>  <Target> (1,401)
Others

>  <Form> (1,401)
Free Base

>  <URL> (1,401)
http://www.selleckchem.com/products/mequinol.html

>  <CAS Number> (1,401)
150-76-5

>  <Plate Location> (1,401)
f11

>  <Rack Number> (1,401)
L1700-16

$$$$
Propranolol HCl.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,402)
1402

>  <Formula> (1,402)
C16H22ClNO2

>  <MolWeight> (1,402)
295.80438

>  <Item Name> (1,402)
Propranolol HCl

>  <Catalog Number> (1,402)
S4076

>  <Synonyms> (1,402)
N/A

>  <Target> (1,402)
Adrenergic Receptor

>  <Form> (1,402)
HCl

>  <URL> (1,402)
http://www.selleckchem.com/products/propranolol-hcl.html

>  <CAS Number> (1,402)
318-98-9

>  <Plate Location> (1,402)
e11

>  <Rack Number> (1,402)
L1700-16

$$$$
Sodium nitrite.cdx
csChFnd80/04011511122D

  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> (1,403)
1403

>  <Formula> (1,403)
NNaO2

>  <MolWeight> (1,403)
68.99527

>  <Item Name> (1,403)
Sodium Nitrite

>  <Catalog Number> (1,403)
S4074

>  <Synonyms> (1,403)
N/A

>  <Target> (1,403)
Others

>  <Form> (1,403)
Sodium Salt

>  <URL> (1,403)
http://www.selleckchem.com/products/sodium-nitrite.html

>  <CAS Number> (1,403)
7632-00-0

>  <Plate Location> (1,403)
c11

>  <Rack Number> (1,403)
L1700-16

$$$$
Pirarubicin.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,404)
1404

>  <Formula> (1,404)
C32H37NO12

>  <MolWeight> (1,404)
627.63568

>  <Item Name> (1,404)
Pirarubicin

>  <Catalog Number> (1,404)
S1393

>  <Synonyms> (1,404)
N/A

>  <Target> (1,404)
Topoisomerase

>  <Form> (1,404)
Free Base

>  <URL> (1,404)
http://www.selleckchem.com/products/Pirarubicin.html

>  <CAS Number> (1,404)
72496-41-4

>  <Plate Location> (1,404)
c3

>  <Rack Number> (1,404)
L1700-04

$$$$
valganciclovir hydrochloride.cdx
csChFnd80/04011511122D

 26 26  0  0  0  0  0  0  0  0999 V2000
   11.7965    0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,405)
1405

>  <Formula> (1,405)
C14H25ClN6O5

>  <MolWeight> (1,405)
392.8385

>  <Item Name> (1,405)
Valganciclovir Hydrochloride

>  <Catalog Number> (1,405)
S4050

>  <Synonyms> (1,405)
N/A

>  <Target> (1,405)
Others

>  <Form> (1,405)
Hydrochloride

>  <URL> (1,405)
http://www.selleckchem.com/products/valganciclovir-hcl.html

>  <CAS Number> (1,405)
175865-59-5

>  <Plate Location> (1,405)
b9

>  <Rack Number> (1,405)
L1700-16

$$$$
Escitalopram oxalate.cdx
csChFnd80/04011511122D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.9597    5.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,406)
1406

>  <Formula> (1,406)
C22H23FN2O5

>  <MolWeight> (1,406)
414.4268232

>  <Item Name> (1,406)
Escitalopram Oxalate

>  <Catalog Number> (1,406)
S4064

>  <Synonyms> (1,406)
S-(+)-Citalopram Oxalate

>  <Target> (1,406)
5-HT Receptor

>  <Form> (1,406)
Oxalate

>  <URL> (1,406)
http://www.selleckchem.com/products/escitalopram-oxalate.html

>  <CAS Number> (1,406)
219861-08-2

>  <Plate Location> (1,406)
d10

>  <Rack Number> (1,406)
L1700-16

$$$$
Guanabenz acetate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,407)
1407

>  <Formula> (1,407)
C10H12Cl2N4O2

>  <MolWeight> (1,407)
291.13388

>  <Item Name> (1,407)
Guanabenz (WY-8678) Acetate

>  <Catalog Number> (1,407)
S4065

>  <Synonyms> (1,407)
N/A

>  <Target> (1,407)
Adrenergic Receptor

>  <Form> (1,407)
Acetate

>  <URL> (1,407)
http://www.selleckchem.com/products/guanabenz-wy-8678-acetate.html

>  <CAS Number> (1,407)
23256-50-0

>  <Plate Location> (1,407)
e10

>  <Rack Number> (1,407)
L1700-16

$$$$
GW2580.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,408)
1408

>  <Formula> (1,408)
C20H22N4O3

>  <MolWeight> (1,408)
366.41368

>  <Item Name> (1,408)
GW2580

>  <Catalog Number> (1,408)
S8042

>  <Synonyms> (1,408)
N/A

>  <Target> (1,408)
CSF-1R

>  <Form> (1,408)
Free Base

>  <URL> (1,408)
http://www.selleckchem.com/products/gw2580.html

>  <CAS Number> (1,408)
870483-87-7

>  <Plate Location> (1,408)
d5

>  <Rack Number> (1,408)
L1700-22

$$$$
tinidazole.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,409)
1409

>  <Formula> (1,409)
C8H13N3O4S

>  <MolWeight> (1,409)
247.27152

>  <Item Name> (1,409)
Tinidazole

>  <Catalog Number> (1,409)
S4068

>  <Synonyms> (1,409)
N/A

>  <Target> (1,409)
S4068

>  <Form> (1,409)
Free Base

>  <URL> (1,409)
http://www.selleckchem.com/products/tinidazole.html

>  <CAS Number> (1,409)
19387-91-8

>  <Plate Location> (1,409)
f10

>  <Rack Number> (1,409)
L1700-16

$$$$
OCUSULF-10 (sulfacetamide sodium).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,410)
1410

>  <Formula> (1,410)
C8H9N2NaO3S

>  <MolWeight> (1,410)
236.22343

>  <Item Name> (1,410)
Sulfacetamide Sodium

>  <Catalog Number> (1,410)
S4081

>  <Synonyms> (1,410)
N/A

>  <Target> (1,410)
Autophagy

>  <Form> (1,410)
Sodium

>  <URL> (1,410)
http://www.selleckchem.com/products/sulfacetamide-sodium.html

>  <CAS Number> (1,410)
127-56-0

>  <Plate Location> (1,410)
b1

>  <Rack Number> (1,410)
L1700-17

$$$$
Ticagrelor.cdx
csChFnd80/04011511122D

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 36 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,411)
1411

>  <Formula> (1,411)
C23H28F2N6O4S

>  <MolWeight> (1,411)
522.5680264

>  <Item Name> (1,411)
Ticagrelor

>  <Catalog Number> (1,411)
S4079

>  <Synonyms> (1,411)
AZD6140

>  <Target> (1,411)
P2 Receptor

>  <Form> (1,411)
Free Base

>  <URL> (1,411)
http://www.selleckchem.com/products/ticagrelor.html

>  <CAS Number> (1,411)
274693-27-5

>  <Plate Location> (1,411)
h11

>  <Rack Number> (1,411)
L1700-16

$$$$
DYRENIUM (triamterene).cdx
csChFnd80/04011511122D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,412)
1412

>  <Formula> (1,412)
C12H11N7

>  <MolWeight> (1,412)
253.26264

>  <Item Name> (1,412)
Triamterene

>  <Catalog Number> (1,412)
S4080

>  <Synonyms> (1,412)
N/A

>  <Target> (1,412)
Sodium Channel

>  <Form> (1,412)
Free Base

>  <URL> (1,412)
http://www.selleckchem.com/products/triamterene.html

>  <CAS Number> (1,412)
396-01-0

>  <Plate Location> (1,412)
a1

>  <Rack Number> (1,412)
L1700-17

$$$$
Ethambutol Hydrochloride.cdx
csChFnd80/04011511122D

 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
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    9.7536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,413)
1413

>  <Formula> (1,413)
C10H26Cl2N2O2

>  <MolWeight> (1,413)
277.23164

>  <Item Name> (1,413)
Ethambutol HCl

>  <Catalog Number> (1,413)
S4004

>  <Synonyms> (1,413)
N/A

>  <Target> (1,413)
Others

>  <Form> (1,413)
HCl

>  <URL> (1,413)
http://www.selleckchem.com/products/ethambutol-hcl.html

>  <CAS Number> (1,413)
1070-11-7

>  <Plate Location> (1,413)
f4

>  <Rack Number> (1,413)
L1700-16

$$$$
EQUIPIN (homatropine methylbromide).cdx
csChFnd80/04011511122D

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    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
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    3.1668    3.3076    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
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  2  8  1  0  0  0  0
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  6 11  1  0  0  0  0
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 24 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,414)
1414

>  <Formula> (1,414)
C17H24BrNO3

>  <MolWeight> (1,414)
370.28136

>  <Item Name> (1,414)
Homatropine Methylbromide

>  <Catalog Number> (1,414)
S4024

>  <Synonyms> (1,414)
N/A

>  <Target> (1,414)
AChR

>  <Form> (1,414)
Methylbromide

>  <URL> (1,414)
http://www.selleckchem.com/products/homatropine-methylbromide.html

>  <CAS Number> (1,414)
80-49-9

>  <Plate Location> (1,414)
f6

>  <Rack Number> (1,414)
L1700-16

$$$$
Homatropine bromide.cdx
csChFnd80/04011511122D

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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
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  3  6  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> (1,415)
1415

>  <Formula> (1,415)
C16H22BrNO3

>  <MolWeight> (1,415)
356.25478

>  <Item Name> (1,415)
Homatropine Bromide

>  <Catalog Number> (1,415)
S4025

>  <Synonyms> (1,415)
N/A

>  <Target> (1,415)
AChR

>  <Form> (1,415)
Bromide

>  <URL> (1,415)
http://www.selleckchem.com/products/homatropine-bromide.html

>  <CAS Number> (1,415)
51-56-9

>  <Plate Location> (1,415)
g6

>  <Rack Number> (1,415)
L1700-16

$$$$
Hydroxyzine dihydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,416)
1416

>  <Formula> (1,416)
C21H29Cl3N2O2

>  <MolWeight> (1,416)
447.82616

>  <Item Name> (1,416)
Hydroxyzine 2HCl

>  <Catalog Number> (1,416)
S4026

>  <Synonyms> (1,416)
N/A

>  <Target> (1,416)
Histamine Receptor

>  <Form> (1,416)
HCl

>  <URL> (1,416)
http://www.selleckchem.com/products/hydroxyzine-2hcl.html

>  <CAS Number> (1,416)
2192-20-3

>  <Plate Location> (1,416)
h6

>  <Rack Number> (1,416)
L1700-16

$$$$
Flavoxate HCL.cdx
csChFnd80/04011511122D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,417)
1417

>  <Formula> (1,417)
C24H26ClNO4

>  <MolWeight> (1,417)
427.92054

>  <Item Name> (1,417)
Flavoxate HCl

>  <Catalog Number> (1,417)
S4027

>  <Synonyms> (1,417)
N/A

>  <Target> (1,417)
AChR

>  <Form> (1,417)
N/A

>  <URL> (1,417)
http://www.selleckchem.com/products/flavoxate-hcl.html

>  <CAS Number> (1,417)
3717-88-2

>  <Plate Location> (1,417)
a7

>  <Rack Number> (1,417)
L1700-16

$$$$
Aclidinium bromide.cdx
csChFnd80/04011511122D

 35 38  0  0  0  0  0  0  0  0999 V2000
    2.7630    6.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,418)
1418

>  <Formula> (1,418)
C26H30BrNO4S2

>  <MolWeight> (1,418)
564.5547

>  <Item Name> (1,418)
Aclidinium Bromide

>  <Catalog Number> (1,418)
S4031

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
AChR

>  <Form> (1,418)
Free Base

>  <URL> (1,418)
http://www.selleckchem.com/products/aclidinium-bromide.html

>  <CAS Number> (1,418)
320345-99-1

>  <Plate Location> (1,418)
b7

>  <Rack Number> (1,418)
L1700-16

$$$$
Butein.cdx
csChFnd80/04011511122D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,419)
1419

>  <Formula> (1,419)
C15H12O5

>  <MolWeight> (1,419)
272.25278

>  <Item Name> (1,419)
Butein

>  <Catalog Number> (1,419)
S8036

>  <Synonyms> (1,419)
N/A

>  <Target> (1,419)
EGFR

>  <Form> (1,419)
Free Base

>  <URL> (1,419)
https://www.selleckchem.com/products/butein.html

>  <CAS Number> (1,419)
487-52-5

>  <Plate Location> (1,419)
g4

>  <Rack Number> (1,419)
L1700-22

$$$$
Deoxyarbutin.cdx
csChFnd80/04011511122D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,420)
1420

>  <Formula> (1,420)
C11H14O3

>  <MolWeight> (1,420)
194.22706

>  <Item Name> (1,420)
Deoxyarbutin

>  <Catalog Number> (1,420)
S4132

>  <Synonyms> (1,420)
D-arbutin

>  <Target> (1,420)
Others

>  <Form> (1,420)
Free Base

>  <URL> (1,420)
https://www.selleckchem.com/products/deoxyarbutin.html

>  <CAS Number> (1,420)
53936-56-4

>  <Plate Location> (1,420)
h5

>  <Rack Number> (1,420)
L1700-17

$$$$
Histamine dihydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,421)
1421

>  <Formula> (1,421)
C5H11Cl2N3

>  <MolWeight> (1,421)
184.06694

>  <Item Name> (1,421)
Histamine 2HCl

>  <Catalog Number> (1,421)
S4118

>  <Synonyms> (1,421)
N/A

>  <Target> (1,421)
Histamine Receptor

>  <Form> (1,421)
HCl

>  <URL> (1,421)
https://www.selleckchem.com/products/histamine-2hcl.html

>  <CAS Number> (1,421)
56-92-8

>  <Plate Location> (1,421)
g4

>  <Rack Number> (1,421)
L1700-17

$$$$
Levodropropizine.cdx
csChFnd80/04011511122D

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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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M  END
>  <Mol_ID> (1,422)
1422

>  <Formula> (1,422)
C13H20N2O2

>  <MolWeight> (1,422)
236.3101

>  <Item Name> (1,422)
Levodropropizine

>  <Catalog Number> (1,422)
S4131

>  <Synonyms> (1,422)
N/A

>  <Target> (1,422)
Histamine Receptor

>  <Form> (1,422)
Free Base

>  <URL> (1,422)
https://www.selleckchem.com/products/levodropropizine.html

>  <CAS Number> (1,422)
99291-25-5

>  <Plate Location> (1,422)
g5

>  <Rack Number> (1,422)
L1700-17

$$$$
Pefloxacin mesylate dihydrate.cdx
csChFnd80/04011511122D

 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
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   10.8927    6.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1676    1.3734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5464    0.0000    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
  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
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 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> (1,423)
1423

>  <Formula> (1,423)
C18H28FN3O8S

>  <MolWeight> (1,423)
465.4936232

>  <Item Name> (1,423)
Pefloxacin Mesylate Dihydrate

>  <Catalog Number> (1,423)
S4119

>  <Synonyms> (1,423)
N/A

>  <Target> (1,423)
Topoisomerase

>  <Form> (1,423)
Mesylate

>  <URL> (1,423)
https://www.selleckchem.com/products/pefloxacin-mesylate-dihydrate.html

>  <CAS Number> (1,423)
149676-40-4

>  <Plate Location> (1,423)
h4

>  <Rack Number> (1,423)
L1700-17

$$$$
sodium phenylbutyrate.cdx
csChFnd80/04011511122D

 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
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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
  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> (1,424)
1424

>  <Formula> (1,424)
C10H11NaO2

>  <MolWeight> (1,424)
186.18291

>  <Item Name> (1,424)
Sodium Phenylbutyrate

>  <Catalog Number> (1,424)
S4125

>  <Synonyms> (1,424)
N/A

>  <Target> (1,424)
HDAC

>  <Form> (1,424)
Free Base

>  <URL> (1,424)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

>  <CAS Number> (1,424)
1716-12-7

>  <Plate Location> (1,424)
e5

>  <Rack Number> (1,424)
L1700-17

$$$$
Sulconazle Nitrate.cdx
csChFnd80/04011511122D

 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
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    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
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    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
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    2.4249    2.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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  9 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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  7 16  1  0  0  0  0
  5  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,425)
1425

>  <Formula> (1,425)
C18H16Cl3N3O3S

>  <MolWeight> (1,425)
460.76194

>  <Item Name> (1,425)
Sulconazole Nitrate

>  <Catalog Number> (1,425)
S4120

>  <Synonyms> (1,425)
N/A

>  <Target> (1,425)
Others

>  <Form> (1,425)
Nitrate

>  <URL> (1,425)
https://www.selleckchem.com/products/sulconazole-nitrate.html

>  <CAS Number> (1,425)
82382-23-8

>  <Plate Location> (1,425)
a5

>  <Rack Number> (1,425)
L1700-17

$$$$
Tilmicosin.cdx
csChFnd80/04011511122D

 61 64  0  0  0  0  0  0  0  0999 V2000
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   13.1598    7.2878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,426)
1426

>  <Formula> (1,426)
C46H80N2O13

>  <MolWeight> (1,426)
869.133

>  <Item Name> (1,426)
Tilmicosin

>  <Catalog Number> (1,426)
S4122

>  <Synonyms> (1,426)
N/A

>  <Target> (1,426)
Others

>  <Form> (1,426)
Free Base

>  <URL> (1,426)
https://www.selleckchem.com/products/tilmicosin.html

>  <CAS Number> (1,426)
108050-54-0

>  <Plate Location> (1,426)
b5

>  <Rack Number> (1,426)
L1700-17

$$$$
Timolol Maleate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,427)
1427

>  <Formula> (1,427)
C17H28N4O7S

>  <MolWeight> (1,427)
432.49182

>  <Item Name> (1,427)
Timolol Maleate

>  <Catalog Number> (1,427)
S4123

>  <Synonyms> (1,427)
N/A

>  <Target> (1,427)
Adrenergic Receptor

>  <Form> (1,427)
Maleate

>  <URL> (1,427)
https://www.selleckchem.com/products/timolol-maleate.html

>  <CAS Number> (1,427)
26921-17-5

>  <Plate Location> (1,427)
c5

>  <Rack Number> (1,427)
L1700-17

$$$$
Tolazoline HCl.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,428)
1428

>  <Formula> (1,428)
C10H13ClN2

>  <MolWeight> (1,428)
196.67662

>  <Item Name> (1,428)
Tolazoline HCl

>  <Catalog Number> (1,428)
S4124

>  <Synonyms> (1,428)
N/A

>  <Target> (1,428)
Adrenergic Receptor

>  <Form> (1,428)
Free Base

>  <URL> (1,428)
https://www.selleckchem.com/products/tolazoline-hcl.html

>  <CAS Number> (1,428)
59-97-2

>  <Plate Location> (1,428)
d5

>  <Rack Number> (1,428)
L1700-17

$$$$
Troxipide.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,429)
1429

>  <Formula> (1,429)
C15H22N2O4

>  <MolWeight> (1,429)
294.34618

>  <Item Name> (1,429)
Troxipide

>  <Catalog Number> (1,429)
S4128

>  <Synonyms> (1,429)
N/A

>  <Target> (1,429)
Others

>  <Form> (1,429)
Free Base

>  <URL> (1,429)
https://www.selleckchem.com/products/troxipide.html

>  <CAS Number> (1,429)
30751-05-4

>  <Plate Location> (1,429)
f5

>  <Rack Number> (1,429)
L1700-17

$$$$
AMG-517.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,430)
1430

>  <Formula> (1,430)
C20H13F3N4O2S

>  <MolWeight> (1,430)
430.4030296

>  <Item Name> (1,430)
AMG-517

>  <Catalog Number> (1,430)
S7115

>  <Synonyms> (1,430)
N/A

>  <Target> (1,430)
TRPV

>  <Form> (1,430)
Free Base

>  <URL> (1,430)
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>  <CAS Number> (1,430)
659730-32-2

>  <Plate Location> (1,430)
d9

>  <Rack Number> (1,430)
L1700-19

$$$$
Macitentan(ACT-064992).cdx
csChFnd80/04011511122D

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C19H20Br2N6O4S

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Macitentan

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ACT-064992

>  <Target> (1,431)
Endothelin Receptor

>  <Form> (1,431)
Free Base

>  <URL> (1,431)
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441798-33-0

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c6

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L1700-22

$$$$
Zebularine.cdx
csChFnd80/04011511122D

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C9H12N2O5

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Zebularine

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S7113

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N/A

>  <Target> (1,432)
DNA Methyltransferase

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Free Base

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3690-10-6

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b9

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L1700-19

$$$$
GSK3787.cdx
csChFnd80/04011511122D

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>  <Formula> (1,433)
C15H12ClF3N2O3S

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GSK3787

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S8025

>  <Synonyms> (1,433)
N/A

>  <Target> (1,433)
PPAR

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Free Base

>  <URL> (1,433)
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h3

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L1700-22

$$$$
(-)-Blebbistatin.cdx
csChFnd80/04011511122D

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>  <Formula> (1,434)
C18H16N2O2

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(-)-Blebbistatin

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>  <Synonyms> (1,434)
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>  <Target> (1,434)
ATPase

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>  <URL> (1,434)
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>  <CAS Number> (1,434)
856925-71-8

>  <Plate Location> (1,434)
c8

>  <Rack Number> (1,434)
L1700-19

$$$$
GDC-0349.cdx
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M  END
>  <Mol_ID> (1,453)
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>  <Formula> (1,453)
C23H18Cl3FN4O3S

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>  <Item Name> (1,453)
CGK 733

>  <Catalog Number> (1,453)
S7136

>  <Synonyms> (1,453)
N/A

>  <Target> (1,453)
ATM/ATR

>  <Form> (1,453)
Free Base

>  <URL> (1,453)
http://www.selleckchem.com/products/cgk-733.html

>  <CAS Number> (1,453)
905973-89-9

>  <Plate Location> (1,453)
a11

>  <Rack Number> (1,453)
L1700-19

$$$$
Amprolium HCl.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,454)
1454

>  <Formula> (1,454)
C14H20Cl2N4

>  <MolWeight> (1,454)
315.2414

>  <Item Name> (1,454)
Amprolium HCl

>  <Catalog Number> (1,454)
S4144

>  <Synonyms> (1,454)
N/A

>  <Target> (1,454)
Others

>  <Form> (1,454)
HCl

>  <URL> (1,454)
http://www.selleckchem.com/products/amprolium-hcl.html

>  <CAS Number> (1,454)
137-88-2

>  <Plate Location> (1,454)
g6

>  <Rack Number> (1,454)
L1700-17

$$$$
Bacitracin.cdx
csChFnd80/04011511122D

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csChFnd80/04011511122D

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ALK

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>  <Target> (1,464)
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>  <Form> (1,464)
Free Base

>  <URL> (1,464)
http://www.selleckchem.com/products/sant-1.html

>  <CAS Number> (1,464)
304909-07-7

>  <Plate Location> (1,464)
e7

>  <Rack Number> (1,464)
L1700-19

$$$$
1-Hexadecanol.cdx
csChFnd80/04011511122D

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>  <Formula> (1,465)
C16H34O

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242.44056

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1-Hexadecanol

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S4173

>  <Target> (1,465)
Others

>  <Form> (1,465)
Free Base

>  <URL> (1,465)
http://www.selleckchem.com/products/1-hexadecanol.html

>  <CAS Number> (1,465)
36653-82-4

>  <Plate Location> (1,465)
c9

>  <Rack Number> (1,465)
L1700-17

$$$$
Amfenac Sodium£¨monohydrate£©.cdx
csChFnd80/04011511122D

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>  <Formula> (1,466)
C15H14NNaO4

>  <MolWeight> (1,466)
295.26573

>  <Item Name> (1,466)
Amfenac Sodium (monohydrate)

>  <Catalog Number> (1,466)
S4149

>  <Synonyms> (1,466)
N/A

>  <Target> (1,466)
Others

>  <Form> (1,466)
Free Base

>  <URL> (1,466)
http://www.selleckchem.com/products/amfenac-sodium-monohydrate.html

>  <CAS Number> (1,466)
61618-27-7

>  <Plate Location> (1,466)
b7

>  <Rack Number> (1,466)
L1700-17

$$$$
Benzydamine hydrochloride.cdx
csChFnd80/04011511122D

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1467

>  <Formula> (1,467)
C19H24ClN3O

>  <MolWeight> (1,467)
345.86636

>  <Item Name> (1,467)
Benzydamine Hydrochloride

>  <Catalog Number> (1,467)
S4165

>  <Synonyms> (1,467)
N/A

>  <Target> (1,467)
Others

>  <Form> (1,467)
HCl

>  <URL> (1,467)
http://www.selleckchem.com/products/benzydamine-hcl.html

>  <CAS Number> (1,467)
132-69-4

>  <Plate Location> (1,467)
d8

>  <Rack Number> (1,467)
L1700-17

$$$$
Betamipron.cdx
csChFnd80/04011511122D

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C10H11NO3

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Betamipron

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Free Base

>  <URL> (1,468)
http://www.selleckchem.com/products/betamipron.html

>  <CAS Number> (1,468)
3440-28-6

>  <Plate Location> (1,468)
b11

>  <Rack Number> (1,468)
L1700-17

$$$$
RIMADYL (carprofen).cdx
csChFnd80/04011511122D

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M  END
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1469

>  <Formula> (1,469)
C15H12ClNO2

>  <MolWeight> (1,469)
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>  <Item Name> (1,469)
Carprofen

>  <Catalog Number> (1,469)
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>  <Synonyms> (1,469)
N/A

>  <Target> (1,469)
Others

>  <Form> (1,469)
Free Base

>  <URL> (1,469)
http://www.selleckchem.com/products/carprofen.html

>  <CAS Number> (1,469)
53716-49-7

>  <Plate Location> (1,469)
b6

>  <Rack Number> (1,469)
L1700-17

$$$$
Cetylpyridinium chloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,470)
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>  <Formula> (1,470)
C21H38ClN

>  <MolWeight> (1,470)
339.98612

>  <Item Name> (1,470)
Cetylpyridinium Chloride

>  <Catalog Number> (1,470)
S4172

>  <Synonyms> (1,470)
N/A

>  <Target> (1,470)
Others

>  <Form> (1,470)
Chloride

>  <URL> (1,470)
http://www.selleckchem.com/products/cetylpyridinium-chloride.html

>  <CAS Number> (1,470)
123-03-5

>  <Plate Location> (1,470)
b9

>  <Rack Number> (1,470)
L1700-17

$$$$
Chlorpropamide.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,471)
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>  <Formula> (1,471)
C10H13ClN2O3S

>  <MolWeight> (1,471)
276.73982

>  <Item Name> (1,471)
Chlorpropamide

>  <Catalog Number> (1,471)
S4166

>  <Synonyms> (1,471)
N/A

>  <Target> (1,471)
Others

>  <Form> (1,471)
Free Base

>  <URL> (1,471)
http://www.selleckchem.com/products/chlorpropamide.html

>  <CAS Number> (1,471)
94-20-2

>  <Plate Location> (1,471)
e8

>  <Rack Number> (1,471)
L1700-17

$$$$
Chlorquinaldol.cdx
csChFnd80/04011511122D

 14 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,472)
1472

>  <Formula> (1,472)
C10H7Cl2NO

>  <MolWeight> (1,472)
228.07468

>  <Item Name> (1,472)
Chlorquinaldol

>  <Catalog Number> (1,472)
S4192

>  <Synonyms> (1,472)
N/A

>  <Target> (1,472)
Others

>  <Form> (1,472)
Free Base

>  <URL> (1,472)
http://www.selleckchem.com/products/chlorquinaldol.html

>  <CAS Number> (1,472)
72-80-0

>  <Plate Location> (1,472)
c11

>  <Rack Number> (1,472)
L1700-17

$$$$
Chlorzoxazone.cdx
csChFnd80/04011511122D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,473)
1473

>  <Formula> (1,473)
C7H4ClNO2

>  <MolWeight> (1,473)
169.56516

>  <Item Name> (1,473)
Chlorzoxazone

>  <Catalog Number> (1,473)
S4155

>  <Synonyms> (1,473)
N/A

>  <Target> (1,473)
Others

>  <Form> (1,473)
Free Base

>  <URL> (1,473)
http://www.selleckchem.com/products/chlorzoxazone.html

>  <CAS Number> (1,473)
95-25-0

>  <Plate Location> (1,473)
e7

>  <Rack Number> (1,473)
L1700-17

$$$$
Choline Chloride.cdx
csChFnd80/04011511122D

  8  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,474)
1474

>  <Formula> (1,474)
C5H14ClNO

>  <MolWeight> (1,474)
139.62376

>  <Item Name> (1,474)
Choline Chloride

>  <Catalog Number> (1,474)
S4171

>  <Synonyms> (1,474)
N/A

>  <Target> (1,474)
Others

>  <Form> (1,474)
Chloride

>  <URL> (1,474)
http://www.selleckchem.com/products/choline-chloride.html

>  <CAS Number> (1,474)
67-48-1

>  <Plate Location> (1,474)
a9

>  <Rack Number> (1,474)
L1700-17

$$$$
Cinchophen.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,475)
1475

>  <Formula> (1,475)
C16H11NO2

>  <MolWeight> (1,475)
249.26404

>  <Item Name> (1,475)
Cinchophen

>  <Catalog Number> (1,475)
S4190

>  <Synonyms> (1,475)
N/A

>  <Target> (1,475)
Others

>  <Form> (1,475)
Free Base

>  <URL> (1,475)
http://www.selleckchem.com/products/cinchophen.html

>  <CAS Number> (1,475)
132-60-5

>  <Plate Location> (1,475)
a11

>  <Rack Number> (1,475)
L1700-17

$$$$
Climbazole.cdx
csChFnd80/04011511122D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,476)
1476

>  <Formula> (1,476)
C15H17ClN2O2

>  <MolWeight> (1,476)
292.76068

>  <Item Name> (1,476)
Climbazole

>  <Catalog Number> (1,476)
S4178

>  <Synonyms> (1,476)
N/A

>  <Target> (1,476)
Others

>  <Form> (1,476)
Free Base

>  <URL> (1,476)
http://www.selleckchem.com/products/climbazole.html

>  <CAS Number> (1,476)
38083-17-9

>  <Plate Location> (1,476)
g9

>  <Rack Number> (1,476)
L1700-17

$$$$
Clofazimine.cdx
csChFnd80/04011511122D

 33 37  0  0  0  0  0  0  0  0999 V2000
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>  <Target> (1,477)
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>  <Form> (1,477)
Free Base

>  <URL> (1,477)
http://www.selleckchem.com/products/clofazimine.html

>  <CAS Number> (1,477)
2030-63-9

>  <Plate Location> (1,477)
g3

>  <Rack Number> (1,477)
L1700-17

$$$$
Clorprenaline HCl.cdx
csChFnd80/04011511122D

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N/A

>  <Target> (1,478)
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HCL

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>  <CAS Number> (1,478)
6933-90-0

>  <Plate Location> (1,478)
a6

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L1700-17

$$$$
Closantel.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,479)
1479

>  <Formula> (1,479)
C22H14Cl2I2N2O2

>  <MolWeight> (1,479)
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>  <Item Name> (1,479)
Closantel

>  <Catalog Number> (1,479)
S4106

>  <Synonyms> (1,479)
N/A

>  <Target> (1,479)
Others

>  <Form> (1,479)
Free Base

>  <URL> (1,479)
http://www.selleckchem.com/products/closantel.html

>  <CAS Number> (1,479)
57808-65-8

>  <Plate Location> (1,479)
f3

>  <Rack Number> (1,479)
L1700-17

$$$$
Closantel sodium.cdx
csChFnd80/04011511122D

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>  <Formula> (1,480)
C22H13Cl2I2N2NaO2

>  <MolWeight> (1,480)
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>  <Item Name> (1,480)
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>  <Catalog Number> (1,480)
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>  <Synonyms> (1,480)
N/A

>  <Target> (1,480)
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>  <Form> (1,480)
Free Base

>  <URL> (1,480)
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61438-64-0

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$$$$
Coumarin.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,481)
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>  <Formula> (1,481)
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N/A

>  <Target> (1,481)
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>  <Form> (1,481)
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>  <URL> (1,481)
http://www.selleckchem.com/products/coumarin.html

>  <CAS Number> (1,481)
91-64-5

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h8

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L1700-17

$$$$
Cyclandelate.cdx
csChFnd80/04011511122D

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$$$$
Cyromazine.cdx
csChFnd80/04011511122D

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Dexlansoprazole.cdx
csChFnd80/04011511122D

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>  <MolWeight> (1,484)
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Dexlansoprazole

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>  <Target> (1,484)
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138530-94-6

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h2

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$$$$
Doxofylline.cdx
csChFnd80/04011511122D

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69975-86-6

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c8

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$$$$
Dropropizine.cdx
csChFnd80/04011511122D

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17692-31-8

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c6

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$$$$
Ethamsylate.cdx
csChFnd80/04011511122D

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>  <Formula> (1,487)
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>  <Target> (1,487)
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>  <Form> (1,487)
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>  <URL> (1,487)
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>  <CAS Number> (1,487)
2624-44-4

>  <Plate Location> (1,487)
d7

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L1700-17

$$$$
isovaleramide.cdx
csChFnd80/04011511122D

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f4

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L1700-17

$$$$
Mezlocillin sodium.cdx
csChFnd80/04011511122D

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>  <Target> (1,489)
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Sodium

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42057-22-7

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$$$$
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csChFnd80/04011511122D

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b10

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$$$$
Penciclovir.cdx
csChFnd80/04011511122D

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Penciclovir

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S4184

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N/A

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Free Base

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

>  <CAS Number> (1,491)
39809-25-1

>  <Plate Location> (1,491)
c10

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L1700-17

$$$$
penfluridol.cdx
csChFnd80/04011511122D

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Free Base

>  <URL> (1,492)
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26864-56-2

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L1700-17

$$$$
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>  <Formula> (1,493)
C13H11NO2

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>  <Item Name> (1,493)
Salicylanilide

>  <Catalog Number> (1,493)
S4187

>  <Synonyms> (1,493)
N/A

>  <Target> (1,493)
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>  <Form> (1,493)
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>  <URL> (1,493)
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>  <CAS Number> (1,493)
87-17-2

>  <Plate Location> (1,493)
f10

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L1700-17

$$$$
Sasapyrine.cdx
csChFnd80/04011511122D

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>  <Formula> (1,494)
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N/A

>  <Target> (1,494)
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>  <Form> (1,494)
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>  <URL> (1,494)
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>  <CAS Number> (1,494)
552-94-3

>  <Plate Location> (1,494)
g10

>  <Rack Number> (1,494)
L1700-17

$$$$
Sulfaguanidine.cdx
csChFnd80/04011511122D

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S4175

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>  <Target> (1,495)
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>  <Form> (1,495)
Free Base

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57-67-0

>  <Plate Location> (1,495)
d9

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L1700-17

$$$$
tiratricol.cdx
csChFnd80/04011511122D

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>  <Target> (1,496)
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http://www.selleckchem.com/products/tiratricol.html

>  <CAS Number> (1,496)
51-24-1

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d10

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L1700-17

$$$$
triclabendazole.cdx
csChFnd80/04011511122D

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>  <Formula> (1,497)
C14H9Cl3N2OS

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S4114

>  <Synonyms> (1,497)
N/A

>  <Target> (1,497)
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>  <Form> (1,497)
Free Base

>  <URL> (1,497)
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68786-66-3

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e4

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L1700-17

$$$$
Trometamol.cdx
csChFnd80/04011511122D

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>  <Formula> (1,498)
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>  <Target> (1,498)
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>  <URL> (1,498)
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77-86-1

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e9

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L1700-17

$$$$
Uracil.cdx
csChFnd80/04011511122D

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66-22-8

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f9

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L1700-17

$$$$
CNX-2006.cdx
csChFnd80/04011511122D

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C7H5N5S2

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223.2781

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PR-619

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S7130

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N/A

>  <Target> (1,508)
DUB

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Free Base

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http://www.selleckchem.com/products/pr-619.html

>  <CAS Number> (1,508)
2645-32-1

>  <Plate Location> (1,508)
d10

>  <Rack Number> (1,508)
L1700-19

$$$$
Primaquine diphosphate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,509)
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>  <Formula> (1,509)
C15H27N3O9P2

>  <MolWeight> (1,509)
455.337102

>  <Item Name> (1,509)
Primaquine Diphosphate

>  <Catalog Number> (1,509)
S4237

>  <Synonyms> (1,509)
N/A

>  <Target> (1,509)
Others

>  <Form> (1,509)
Phosphate

>  <URL> (1,509)
http://www.selleckchem.com/products/primaquine-diphosphate.html

>  <CAS Number> (1,509)
63-45-6

>  <Plate Location> (1,509)
a5

>  <Rack Number> (1,509)
L1700-18

$$$$
Wnt-C59 (C59).cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,510)
1510

>  <Formula> (1,510)
C25H21N3O

>  <MolWeight> (1,510)
379.45374

>  <Item Name> (1,510)
Wnt-C59 (C59)

>  <Catalog Number> (1,510)
S7037

>  <Synonyms> (1,510)
N/A

>  <Target> (1,510)
Wnt/beta-catenin

>  <Form> (1,510)
Free Base

>  <URL> (1,510)
http://www.selleckchem.com/products/wnt-c59-c59.html

>  <CAS Number> (1,510)
1243243-89-1

>  <Plate Location> (1,510)
c4

>  <Rack Number> (1,510)
L1700-19

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,511)
1511

>  <Formula> (1,511)
C16H19N3O4S

>  <MolWeight> (1,511)
349.40476

>  <Item Name> (1,511)
Resminostat (RAS2410)

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S2693

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4SC-201, BYK408740

>  <Target> (1,511)
HDAC

>  <Form> (1,511)
Free Base

>  <URL> (1,511)
http://www.selleckchem.com/products/resminostat-ras2410.html

>  <CAS Number> (1,511)
864814-88-0

>  <Plate Location> (1,511)
a3

>  <Rack Number> (1,511)
L1700-13

$$$$
Aminothiazole.cdx
csChFnd80/04011511122D

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>  <Formula> (1,512)
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>  <Item Name> (1,512)
Aminothiazole

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S4198

>  <Synonyms> (1,512)
N/A

>  <Target> (1,512)
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>  <Form> (1,512)
Free Base

>  <URL> (1,512)
http://www.selleckchem.com/products/aminothiazole.html

>  <CAS Number> (1,512)
96-50-4

>  <Plate Location> (1,512)
h11

>  <Rack Number> (1,512)
L1700-17

$$$$
Antazoline HCl.cdx
csChFnd80/04011511122D

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1513

>  <Formula> (1,513)
C17H20ClN3

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>  <Item Name> (1,513)
Antazoline HCl

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S4199

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N/A

>  <Target> (1,513)
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csChFnd80/04011511122D

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csChFnd80/04011511122D

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csChFnd80/04011511122D

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csChFnd80/04011511122D

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dirithromycin.cdx
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 50 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,519)
1519

>  <Formula> (1,519)
C42H78N2O14

>  <MolWeight> (1,519)
835.07372

>  <Item Name> (1,519)
Dirithromycin

>  <Catalog Number> (1,519)
S4213

>  <Synonyms> (1,519)
N/A

>  <Target> (1,519)
Others

>  <Form> (1,519)
Free Base

>  <URL> (1,519)
http://www.selleckchem.com/products/dirithromycin.html

>  <CAS Number> (1,519)
62013-04-1

>  <Plate Location> (1,519)
f2

>  <Rack Number> (1,519)
L1700-18

$$$$
domiphen bromide.cdx
csChFnd80/04011511122D

 25 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,520)
1520

>  <Formula> (1,520)
C22H40BrNO

>  <MolWeight> (1,520)
414.4631

>  <Item Name> (1,520)
Domiphen Bromide

>  <Catalog Number> (1,520)
S4186

>  <Synonyms> (1,520)
N/A

>  <Target> (1,520)
Others

>  <Form> (1,520)
Free Base

>  <URL> (1,520)
http://www.selleckchem.com/products/domiphen-bromide.html

>  <CAS Number> (1,520)
538-71-6

>  <Plate Location> (1,520)
e10

>  <Rack Number> (1,520)
L1700-17

$$$$
Doxylamine succinate.cdx
csChFnd80/04011511122D

 28 28  0  0  0  0  0  0  0  0999 V2000
    0.8384   10.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  3  7  1  0  0  0  0
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 10 11  2  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,521)
1521

>  <Formula> (1,521)
C21H28N2O5

>  <MolWeight> (1,521)
388.45742

>  <Item Name> (1,521)
Doxylamine Succinate

>  <Catalog Number> (1,521)
S4240

>  <Synonyms> (1,521)
N/A

>  <Target> (1,521)
Others

>  <Form> (1,521)
Succinate

>  <URL> (1,521)
http://www.selleckchem.com/products/doxylamine-succinate.html

>  <CAS Number> (1,521)
562-10-7

>  <Plate Location> (1,521)
d5

>  <Rack Number> (1,521)
L1700-18

$$$$
Ethacridine lactate monohydrate.cdx
csChFnd80/04011511122D

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.2082   12.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   11.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331   11.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   12.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   13.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.8354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   11.5354    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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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
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 22 24  1  0  0  0  0
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M  END
>  <Mol_ID> (1,522)
1522

>  <Formula> (1,522)
C18H23N3O5

>  <MolWeight> (1,522)
361.39232

>  <Item Name> (1,522)
Ethacridine lactate monohydrate

>  <Catalog Number> (1,522)
S4196

>  <Synonyms> (1,522)
N/A

>  <Target> (1,522)
Others

>  <Form> (1,522)
Lactate

>  <URL> (1,522)
http://www.selleckchem.com/products/ethacridine-lactate-monohydrate.html

>  <CAS Number> (1,522)
6402-23-9

>  <Plate Location> (1,522)
f11

>  <Rack Number> (1,522)
L1700-17

$$$$
Florfenicol.cdx
csChFnd80/04011511122D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.4173    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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  8 18  1  6  0  0  0
  7 19  1  0  0  0  0
  7 20  2  0  0  0  0
  7 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,523)
1523

>  <Formula> (1,523)
C12H14Cl2FNO4S

>  <MolWeight> (1,523)
358.2132632

>  <Item Name> (1,523)
Florfenicol

>  <Catalog Number> (1,523)
S4201

>  <Synonyms> (1,523)
N/A

>  <Target> (1,523)
Others

>  <Form> (1,523)
Free Base

>  <URL> (1,523)
http://www.selleckchem.com/products/florfenicol.html

>  <CAS Number> (1,523)
73231-34-2

>  <Plate Location> (1,523)
c1

>  <Rack Number> (1,523)
L1700-18

$$$$
Furaltadone HCl.cdx
csChFnd80/04011511122D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  8  1  0  0  0  0
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 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,524)
1524

>  <Formula> (1,524)
C13H17ClN4O6

>  <MolWeight> (1,524)
360.75028

>  <Item Name> (1,524)
Furaltadone HCl

>  <Catalog Number> (1,524)
S4203

>  <Synonyms> (1,524)
N/A

>  <Target> (1,524)
Others

>  <Form> (1,524)
HCl

>  <URL> (1,524)
http://www.selleckchem.com/products/furaltadone-hcl.html

>  <CAS Number> (1,524)
3759-92-0

>  <Plate Location> (1,524)
e1

>  <Rack Number> (1,524)
L1700-18

$$$$
Nicardipine hydrochloride.cdx
csChFnd80/04011511122D

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 12  7  1  0  0  0  0
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 32 27  1  0  0  0  0
  9 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,525)
1525

>  <Formula> (1,525)
C26H30ClN3O6

>  <MolWeight> (1,525)
515.9859

>  <Item Name> (1,525)
Nicardipine HCl

>  <Catalog Number> (1,525)
S4181

>  <Synonyms> (1,525)
N/A

>  <Target> (1,525)
Others

>  <Form> (1,525)
HCl

>  <URL> (1,525)
http://www.selleckchem.com/products/nicardipine-hcl.html

>  <CAS Number> (1,525)
54527-84-3

>  <Plate Location> (1,525)
a10

>  <Rack Number> (1,525)
L1700-17

$$$$
NLG-919.cdx
csChFnd80/04011511122D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  8  1  0  0  0  0
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 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,526)
1526

>  <Formula> (1,526)
C18H22N2O

>  <MolWeight> (1,526)
282.38008

>  <Item Name> (1,526)
NLG919

>  <Catalog Number> (1,526)
S7111

>  <Synonyms> (1,526)
N/A

>  <Target> (1,526)
IDO

>  <Form> (1,526)
Free Base

>  <URL> (1,526)
http://www.selleckchem.com/products/nlg919.html

>  <CAS Number> (1,526)
1402836-58-1

>  <Plate Location> (1,526)
a9

>  <Rack Number> (1,526)
L1700-19

$$$$
Phenazopyridine hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,527)
1527

>  <Formula> (1,527)
C11H12ClN5

>  <MolWeight> (1,527)
249.69948

>  <Item Name> (1,527)
Phenazopyridine HCl

>  <Catalog Number> (1,527)
S4235

>  <Synonyms> (1,527)
N/A

>  <Target> (1,527)
Others

>  <Form> (1,527)
HCl

>  <URL> (1,527)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (1,527)
136-40-3

>  <Plate Location> (1,527)
h4

>  <Rack Number> (1,527)
L1700-18

$$$$
Serotonin hydrochloride.cdx
csChFnd80/04011511122D

 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
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M  END
>  <Mol_ID> (1,528)
1528

>  <Formula> (1,528)
C10H13ClN2O

>  <MolWeight> (1,528)
212.67602

>  <Item Name> (1,528)
Serotonin HCl

>  <Catalog Number> (1,528)
S4244

>  <Synonyms> (1,528)
N/A

>  <Target> (1,528)
Others

>  <Form> (1,528)
HCl

>  <URL> (1,528)
http://www.selleckchem.com/products/serotonin-hcl.html

>  <CAS Number> (1,528)
153-98-0

>  <Plate Location> (1,528)
f5

>  <Rack Number> (1,528)
L1700-18

$$$$
Sodium ascorbate.cdx
csChFnd80/04011511122D

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.5442    4.2732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,529)
1529

>  <Formula> (1,529)
C6H10NaO6

>  <MolWeight> (1,529)
201.12977

>  <Item Name> (1,529)
Sodium ascorbate

>  <Catalog Number> (1,529)
S4245

>  <Synonyms> (1,529)
N/A

>  <Target> (1,529)
Others

>  <Form> (1,529)
Sodium Salt

>  <URL> (1,529)
http://www.selleckchem.com/products/sodium-ascorbate.html

>  <CAS Number> (1,529)
134-03-2

>  <Plate Location> (1,529)
g5

>  <Rack Number> (1,529)
L1700-18

$$$$
sucralose.cdx
csChFnd80/04011511122D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.7900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  3 20  1  6  0  0  0
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M  END
>  <Mol_ID> (1,530)
1530

>  <Formula> (1,530)
C12H19Cl3O8

>  <MolWeight> (1,530)
397.63346

>  <Item Name> (1,530)
Sucralose

>  <Catalog Number> (1,530)
S4214

>  <Synonyms> (1,530)
N/A

>  <Target> (1,530)
Others

>  <Form> (1,530)
Free Base

>  <URL> (1,530)
http://www.selleckchem.com/products/sucralose.html

>  <CAS Number> (1,530)
56038-13-2

>  <Plate Location> (1,530)
g2

>  <Rack Number> (1,530)
L1700-18

$$$$
teriflunomide.cdx
csChFnd80/04011511122D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  3  0  0  0  0
M  END
>  <Mol_ID> (1,531)
1531

>  <Formula> (1,531)
C12H9F3N2O2

>  <MolWeight> (1,531)
270.2072696

>  <Item Name> (1,531)
Teriflunomide

>  <Catalog Number> (1,531)
S4169

>  <Synonyms> (1,531)
N/A

>  <Target> (1,531)
Others

>  <Form> (1,531)
Free Base

>  <URL> (1,531)
http://www.selleckchem.com/products/teriflunomide.html

>  <CAS Number> (1,531)
108605-62-5

>  <Plate Location> (1,531)
g8

>  <Rack Number> (1,531)
L1700-17

$$$$
Valnemulin HCl.cdx
csChFnd80/04011511122D

 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,532)
1532

>  <Formula> (1,532)
C31H53ClN2O5S

>  <MolWeight> (1,532)
601.28092

>  <Item Name> (1,532)
Valnemulin HCl

>  <Catalog Number> (1,532)
S4216

>  <Synonyms> (1,532)
N/A

>  <Target> (1,532)
Others

>  <Form> (1,532)
HCl

>  <URL> (1,532)
http://www.selleckchem.com/products/valnemulin-hcl.html

>  <CAS Number> (1,532)
133868-46-9

>  <Plate Location> (1,532)
h2

>  <Rack Number> (1,532)
L1700-18

$$$$
cetrimonium bromide.cdx
csChFnd80/04011511122D

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>  <Formula> (1,533)
C19H42BrN

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>  <Item Name> (1,533)
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S4242

>  <Synonyms> (1,533)
N/A

>  <Target> (1,533)
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>  <Form> (1,533)
Free Base

>  <URL> (1,533)
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>  <CAS Number> (1,533)
57-09-0

>  <Plate Location> (1,533)
e5

>  <Rack Number> (1,533)
L1700-18

$$$$
DBeQ.cdx
csChFnd80/04011511122D

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1534

>  <Formula> (1,534)
C22H20N4

>  <MolWeight> (1,534)
340.421

>  <Item Name> (1,534)
DBeQ

>  <Catalog Number> (1,534)
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>  <Synonyms> (1,534)
N/A

>  <Target> (1,534)
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>  <Form> (1,534)
Free Base

>  <URL> (1,534)
http://www.selleckchem.com/products/dbeq.html

>  <CAS Number> (1,534)
177355-84-9

>  <Plate Location> (1,534)
g3

>  <Rack Number> (1,534)
L1700-20

$$$$
Difluprednate.cdx
csChFnd80/04011511122D

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>  <Formula> (1,535)
C27H34F2O7

>  <MolWeight> (1,535)
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Difluprednate

>  <Catalog Number> (1,535)
S4095

>  <Synonyms> (1,535)
N/A

>  <Target> (1,535)
Others

>  <Form> (1,535)
Free Base

>  <URL> (1,535)
http://www.selleckchem.com/products/difluprednate.html

>  <CAS Number> (1,535)
23674-86-4

>  <Plate Location> (1,535)
d2

>  <Rack Number> (1,535)
L1700-17

$$$$
Diminazene aceturate.cdx
csChFnd80/04011511122D

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>  <Formula> (1,536)
C22H29N9O6

>  <MolWeight> (1,536)
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>  <Item Name> (1,536)
Diminazene Aceturate

>  <Catalog Number> (1,536)
S4104

>  <Synonyms> (1,536)
N/A

>  <Target> (1,536)
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>  <Form> (1,536)
Aceturate

>  <URL> (1,536)
http://www.selleckchem.com/products/diminazene-aceturate.html

>  <CAS Number> (1,536)
908-54-3

>  <Plate Location> (1,536)
d3

>  <Rack Number> (1,536)
L1700-17

$$$$
Droperidol.cdx
csChFnd80/04011511122D

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 27 22  1  0  0  0  0
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M  END
>  <Mol_ID> (1,537)
1537

>  <Formula> (1,537)
C22H22FN3O2

>  <MolWeight> (1,537)
379.4273832

>  <Item Name> (1,537)
Droperidol

>  <Catalog Number> (1,537)
S4096

>  <Synonyms> (1,537)
N/A

>  <Target> (1,537)
Others

>  <Form> (1,537)
Free Base

>  <URL> (1,537)
http://www.selleckchem.com/products/droperidol.html

>  <CAS Number> (1,537)
548-73-2

>  <Plate Location> (1,537)
e2

>  <Rack Number> (1,537)
L1700-17

$$$$
Dydrogesterone.cdx
csChFnd80/04011511122D

 27 30  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> (1,538)
1538

>  <Formula> (1,538)
C21H28O2

>  <MolWeight> (1,538)
312.44582

>  <Item Name> (1,538)
Dydrogesterone

>  <Catalog Number> (1,538)
S4097

>  <Synonyms> (1,538)
N/A

>  <Target> (1,538)
Others

>  <Form> (1,538)
Free Base

>  <URL> (1,538)
http://www.selleckchem.com/products/dydrogesterone.html

>  <CAS Number> (1,538)
152-62-5

>  <Plate Location> (1,538)
f2

>  <Rack Number> (1,538)
L1700-17

$$$$
Eprosartan mesylate.cdx
csChFnd80/04011511122D

 35 36  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,539)
1539

>  <Formula> (1,539)
C24H28N2O7S2

>  <MolWeight> (1,539)
520.61832

>  <Item Name> (1,539)
Eprosartan Mesylate

>  <Catalog Number> (1,539)
S4102

>  <Synonyms> (1,539)
N/A

>  <Target> (1,539)
Others

>  <Form> (1,539)
Free Base

>  <URL> (1,539)
http://www.selleckchem.com/products/eprosartan-mesylate.html

>  <CAS Number> (1,539)
144143-96-4 

>  <Plate Location> (1,539)
c3

>  <Rack Number> (1,539)
L1700-17

$$$$
Esmolol hydrochloride.cdx
csChFnd80/04011511122D

 22 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,540)
1540

>  <Formula> (1,540)
C16H26ClNO4

>  <MolWeight> (1,540)
331.83494

>  <Item Name> (1,540)
Esmolol HCl

>  <Catalog Number> (1,540)
S4100

>  <Synonyms> (1,540)
N/A

>  <Target> (1,540)
Others

>  <Form> (1,540)
HCl

>  <URL> (1,540)
http://www.selleckchem.com/products/esmolol-hcl.html

>  <CAS Number> (1,540)
81161-17-3, 81147-92-4(free base)

>  <Plate Location> (1,540)
a3

>  <Rack Number> (1,540)
L1700-17

$$$$
Fenspiride hydrochloride.cdx
csChFnd80/04011511122D

 20 21  0  0  0  0  0  0  0  0999 V2000
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HCl

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5053-08-7, 5053-06-5(free base)

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a2

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L1700-17

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flumethasone.cdx
csChFnd80/04011511122D

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C22H28F2O5

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Flumethasone

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S4088

>  <Synonyms> (1,542)
N/A

>  <Target> (1,542)
Others

>  <Form> (1,542)
Free Base

>  <URL> (1,542)
http://www.selleckchem.com/products/flumethasone.html

>  <CAS Number> (1,542)
2135-17-3

>  <Plate Location> (1,542)
g1

>  <Rack Number> (1,542)
L1700-17

$$$$
GDC-0152.cdx
csChFnd80/04011511122D

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IAP

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>  <URL> (1,543)
http://www.selleckchem.com/products/gdc-0152.html

>  <CAS Number> (1,543)
873652-48-3

>  <Plate Location> (1,543)
h2

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L1700-19

$$$$
Halcinonide.cdx
csChFnd80/04011511122D

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1544

>  <Formula> (1,544)
C24H32ClFO5

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3093-35-4

>  <Plate Location> (1,544)
g2

>  <Rack Number> (1,544)
L1700-17

$$$$
halobetasol propionate .cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,545)
1545

>  <Formula> (1,545)
C25H31ClF2O5

>  <MolWeight> (1,545)
484.9604464

>  <Item Name> (1,545)
Halobetasol Propionate

>  <Catalog Number> (1,545)
S4089

>  <Synonyms> (1,545)
N/A

>  <Target> (1,545)
Others

>  <Form> (1,545)
Free Base

>  <URL> (1,545)
http://www.selleckchem.com/products/halobetasol-propionate.html

>  <CAS Number> (1,545)
66852-54-8

>  <Plate Location> (1,545)
h1

>  <Rack Number> (1,545)
L1700-17

$$$$
ifenprodil tartrate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,546)
1546

>  <Formula> (1,546)
C46H60N2O10

>  <MolWeight> (1,546)
800.976

>  <Item Name> (1,546)
Ifenprodil Tartrate

>  <Catalog Number> (1,546)
S4091

>  <Synonyms> (1,546)
N/A

>  <Target> (1,546)
Others

>  <Form> (1,546)
Tartrate

>  <URL> (1,546)
http://www.selleckchem.com/products/ifenprodil-tartrate.html

>  <CAS Number> (1,546)
23210-58-4

>  <Plate Location> (1,546)
b2

>  <Rack Number> (1,546)
L1700-17

$$$$
levobetaxolol hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,547)
1547

>  <Formula> (1,547)
C18H30ClNO3

>  <MolWeight> (1,547)
343.8887

>  <Item Name> (1,547)
Levobetaxolol HCl

>  <Catalog Number> (1,547)
S4085

>  <Synonyms> (1,547)
N/A

>  <Target> (1,547)
Others

>  <Form> (1,547)
HCl

>  <URL> (1,547)
http://www.selleckchem.com/products/levobetaxolol-hcl.html

>  <CAS Number> (1,547)
116209-55-3, 93221-48-8(free base)

>  <Plate Location> (1,547)
e1

>  <Rack Number> (1,547)
L1700-17

$$$$
lomerizine hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,548)
1548

>  <Formula> (1,548)
C27H32Cl2F2N2O3

>  <MolWeight> (1,548)
541.4573864

>  <Item Name> (1,548)
Lomerizine HCl

>  <Catalog Number> (1,548)
S4084

>  <Synonyms> (1,548)
N/A

>  <Target> (1,548)
Others

>  <Form> (1,548)
HCl

>  <URL> (1,548)
http://www.selleckchem.com/products/lomerizine-hcl.html

>  <CAS Number> (1,548)
101477-54-7, 101477-55-8(free base)

>  <Plate Location> (1,548)
d1

>  <Rack Number> (1,548)
L1700-17

$$$$
loxapine succinate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,549)
1549

>  <Formula> (1,549)
C22H24ClN3O5

>  <MolWeight> (1,549)
445.89606

>  <Item Name> (1,549)
Loxapine Succinate

>  <Catalog Number> (1,549)
S4086

>  <Synonyms> (1,549)
N/A

>  <Target> (1,549)
Others

>  <Form> (1,549)
Succinate

>  <URL> (1,549)
http://www.selleckchem.com/products/loxapine-succinate.html

>  <CAS Number> (1,549)
27833-64-3

>  <Plate Location> (1,549)
f1

>  <Rack Number> (1,549)
L1700-17

$$$$
MDBN.cdx
csChFnd80/04011511122D

 14 15  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
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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,550)
1550

>  <Formula> (1,550)
C9H7NO4

>  <MolWeight> (1,550)
193.15618

>  <Item Name> (1,550)
MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

>  <Catalog Number> (1,550)
S4921

>  <Synonyms> (1,550)
N/A

>  <Target> (1,550)
Others

>  <Form> (1,550)
Free Base

>  <URL> (1,550)
http://www.selleckchem.com/products/mdbn.html

>  <CAS Number> (1,550)
1485-00-3

>  <Plate Location> (1,550)
e1

>  <Rack Number> (1,550)
L1700-19

$$$$
Pramoxine hydrochloride.cdx
csChFnd80/04011511122D

 22 22  0  0  0  0  0  0  0  0999 V2000
   14.6182    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,551)
1551

>  <Formula> (1,551)
C17H28ClNO3

>  <MolWeight> (1,551)
329.86212

>  <Item Name> (1,551)
Pramoxine HCl

>  <Catalog Number> (1,551)
S4092

>  <Synonyms> (1,551)
N/A

>  <Target> (1,551)
Others

>  <Form> (1,551)
N/A

>  <URL> (1,551)
http://www.selleckchem.com/products/pramoxine-hcl.html

>  <CAS Number> (1,551)
637-58-1

>  <Plate Location> (1,551)
c2

>  <Rack Number> (1,551)
L1700-17

$$$$
PYR 41.cdx
csChFnd80/04011511122D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,552)
1552

>  <Formula> (1,552)
C17H13N3O7

>  <MolWeight> (1,552)
371.30102

>  <Item Name> (1,552)
PYR-41

>  <Catalog Number> (1,552)
S7129

>  <Synonyms> (1,552)
N/A

>  <Target> (1,552)
E1 Activating

>  <Form> (1,552)
Free Base

>  <URL> (1,552)
http://www.selleckchem.com/products/pyr-41.html

>  <CAS Number> (1,552)
418805-02-4

>  <Plate Location> (1,552)
c10

>  <Rack Number> (1,552)
L1700-19

$$$$
spiramycin.cdx
csChFnd80/04011511122D

 59 62  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
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8025-81-8

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c1

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$$$$
E-64.cdx
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>  <Target> (1,554)
cysteine protease 

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free base

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66701-25-5

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d3

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$$$$
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N/A

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>  <Form> (1,555)
Free Base

>  <URL> (1,555)
http://www.selleckchem.com/products/voglibose.html

>  <CAS Number> (1,555)
83480-29-9

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b3

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L1700-17

$$$$
Bromosporine.cdx
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>  <Formula> (1,556)
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>  <MolWeight> (1,556)
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Bromosporine

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>  <Synonyms> (1,556)
N/A

>  <Target> (1,556)
Epigenetic Reader Domain

>  <Form> (1,556)
Free Base

>  <URL> (1,556)
http://www.selleckchem.com/products/bromosporine.html

>  <Plate Location> (1,556)
d5

>  <Rack Number> (1,556)
L1700-20

$$$$
Azaperone.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,557)
1557

>  <Formula> (1,557)
C19H22FN3O

>  <MolWeight> (1,557)
327.3958832

>  <Item Name> (1,557)
Azaperone

>  <Catalog Number> (1,557)
S4219

>  <Synonyms> (1,557)
N/A

>  <Target> (1,557)
Others

>  <Form> (1,557)
Free Base

>  <URL> (1,557)
http://www.selleckchem.com/products/azaperone.html

>  <CAS Number> (1,557)
1649-18-9

>  <Plate Location> (1,557)
b3

>  <Rack Number> (1,557)
L1700-18

$$$$
Benzbromarone .cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,558)
1558

>  <Formula> (1,558)
C17H12Br2O3

>  <MolWeight> (1,558)
424.08338

>  <Item Name> (1,558)
Benzbromarone

>  <Catalog Number> (1,558)
S4221

>  <Synonyms> (1,558)
N/A

>  <Target> (1,558)
Others

>  <Form> (1,558)
Free Base

>  <URL> (1,558)
http://www.selleckchem.com/products/benzbromarone.html

>  <CAS Number> (1,558)
3562-84-3

>  <Plate Location> (1,558)
d3

>  <Rack Number> (1,558)
L1700-18

$$$$
Benzethonium chloride.cdx
csChFnd80/04011511122D

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    4.4487    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,559)
1559

>  <Formula> (1,559)
C27H42ClNO2

>  <MolWeight> (1,559)
448.08088

>  <Item Name> (1,559)
Benzethonium chloride

>  <Catalog Number> (1,559)
S4162

>  <Synonyms> (1,559)
N/A

>  <Target> (1,559)
Others

>  <Form> (1,559)
Chloride

>  <URL> (1,559)
http://www.selleckchem.com/products/benzethonium-chloride.html

>  <CAS Number> (1,559)
121-54-0

>  <Plate Location> (1,559)
a8

>  <Rack Number> (1,559)
L1700-17

$$$$
Benzocaine.cdx
csChFnd80/04011511122D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,560)
1560

>  <Formula> (1,560)
C9H11NO2

>  <MolWeight> (1,560)
165.18914

>  <Item Name> (1,560)
Benzocaine

>  <Catalog Number> (1,560)
S4210

>  <Synonyms> (1,560)
N/A

>  <Target> (1,560)
Others

>  <Form> (1,560)
Free Base

>  <URL> (1,560)
http://www.selleckchem.com/products/benzocaine.html

>  <CAS Number> (1,560)
94-09-7

>  <Plate Location> (1,560)
d2

>  <Rack Number> (1,560)
L1700-18

$$$$
Benzoic acid .cdx
csChFnd80/04011511122D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,561)
1561

>  <Formula> (1,561)
C7H6O2

>  <MolWeight> (1,561)
122.12134

>  <Item Name> (1,561)
Benzoic acid

>  <Catalog Number> (1,561)
S4161

>  <Synonyms> (1,561)
N/A

>  <Target> (1,561)
Others

>  <Form> (1,561)
Free Base

>  <URL> (1,561)
http://www.selleckchem.com/products/benzoic-acid.html

>  <CAS Number> (1,561)
65-85-0 

>  <Plate Location> (1,561)
h7

>  <Rack Number> (1,561)
L1700-17

$$$$
Bezafibrate .cdx
csChFnd80/04011511122D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,562)
1562

>  <Formula> (1,562)
C19H20ClNO4

>  <MolWeight> (1,562)
361.8194

>  <Item Name> (1,562)
Bezafibrate

>  <Catalog Number> (1,562)
S4159

>  <Synonyms> (1,562)
N/A

>  <Target> (1,562)
Others

>  <Form> (1,562)
Free Base

>  <URL> (1,562)
http://www.selleckchem.com/products/bezafibrate.html

>  <CAS Number> (1,562)
41859-67-0

>  <Plate Location> (1,562)
f7

>  <Rack Number> (1,562)
L1700-17

$$$$
chlorocresol.cdx
csChFnd80/04011511122D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6784    1.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0884    2.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Chromocarb.cdx
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b2

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Clofibric acid.cdx
csChFnd80/04011511122D

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$$$$
Cysteamine HCl.cdx
csChFnd80/04011511122D

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g1

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L1700-18

$$$$
Erythritol.cdx
csChFnd80/04011511122D

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149-32-6

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g3

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fidaxomicin.cdx
csChFnd80/04011511122D

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M  END
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C52H74Cl2O18

>  <MolWeight> (1,569)
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>  <Item Name> (1,569)
Fidaxomicin

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>  <Synonyms> (1,569)
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>  <Target> (1,569)
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>  <Form> (1,569)
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>  <URL> (1,569)
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873857-62-6

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a4

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$$$$
Fluorometholone Acetate.cdx
csChFnd80/04011511122D

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>  <Formula> (1,570)
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>  <Item Name> (1,570)
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>  <Synonyms> (1,570)
N/A

>  <Target> (1,570)
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>  <Form> (1,570)
Free Base

>  <URL> (1,570)
http://www.selleckchem.com/products/fluorometholone-acetate.html

>  <CAS Number> (1,570)
3801-06-7

>  <Plate Location> (1,570)
b4

>  <Rack Number> (1,570)
L1700-18

$$$$
Benzylpenicillin sodium.cdx
csChFnd80/04011511122D

 25 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,571)
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>  <Formula> (1,571)
C16H17N2NaO4S

>  <MolWeight> (1,571)
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>  <Item Name> (1,571)
Penicillin G Sodium

>  <Catalog Number> (1,571)
S4160

>  <Synonyms> (1,571)
N/A

>  <Target> (1,571)
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>  <Form> (1,571)
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>  <URL> (1,571)
http://www.selleckchem.com/products/benzylpenicillin-sodium.html

>  <CAS Number> (1,571)
69-57-8

>  <Plate Location> (1,571)
g7

>  <Rack Number> (1,571)
L1700-17

$$$$
Isosorbide.cdx
csChFnd80/04011511122D

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1572

>  <Formula> (1,572)
C6H10O4

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>  <Item Name> (1,572)
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>  <Target> (1,572)
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Free Base

>  <URL> (1,572)
http://www.selleckchem.com/products/isosorbide.html

>  <CAS Number> (1,572)
652-67-5 

>  <Plate Location> (1,572)
f1

>  <Rack Number> (1,572)
L1700-18

$$$$
Liothyronine Sodium.cdx
csChFnd80/04011511122D

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1573

>  <Formula> (1,573)
C15H11I3NNaO4

>  <MolWeight> (1,573)
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>  <Item Name> (1,573)
Liothyronine Sodium

>  <Catalog Number> (1,573)
S4217

>  <Synonyms> (1,573)
N/A

>  <Target> (1,573)
Others

>  <Form> (1,573)
Free Base

>  <URL> (1,573)
http://www.selleckchem.com/products/liothyronine-sodium.html

>  <CAS Number> (1,573)
55-06-1

>  <Plate Location> (1,573)
a3

>  <Rack Number> (1,573)
L1700-18

$$$$
mevastatin.cdx
csChFnd80/04011511122D

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>  <Item Name> (1,574)
Mevastatin

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S4223

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N/A

>  <Target> (1,574)
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>  <Form> (1,574)
Free Base

>  <URL> (1,574)
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>  <CAS Number> (1,574)
73573-88-3

>  <Plate Location> (1,574)
f3

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L1700-18

$$$$
Mexiletine Hydrochloride.cdx
csChFnd80/04011511122D

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C11H18ClNO

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Mexiletine HCl

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S4225

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>  <Target> (1,575)
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HCl

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http://www.selleckchem.com/products/mexiletine-hcl.html

>  <CAS Number> (1,575)
5370-01-4

>  <Plate Location> (1,575)
h3

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L1700-18

$$$$
Montelukast sodium.cdx
csChFnd80/04011511122D

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>  <Formula> (1,576)
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>  <MolWeight> (1,576)
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S4211

>  <Synonyms> (1,576)
N/A

>  <Target> (1,576)
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>  <Form> (1,576)
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>  <URL> (1,576)
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151767-02-1

>  <Plate Location> (1,576)
e2

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L1700-18

$$$$
Nithiamide.cdx
csChFnd80/04011511122D

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>  <Formula> (1,577)
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>  <Target> (1,577)
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>  <URL> (1,577)
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>  <CAS Number> (1,577)
140-40-9

>  <Plate Location> (1,577)
f4

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L1700-18

$$$$
NSC 405020.cdx
csChFnd80/04011511122D

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>  <Formula> (1,578)
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>  <Item Name> (1,578)
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MMP

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Free Base

>  <URL> (1,578)
http://www.selleckchem.com/products/nsc-405020.html

>  <CAS Number> (1,578)
7497-07-6

>  <Plate Location> (1,578)
b7

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L1700-22

$$$$
Oxaprozin.cdx
csChFnd80/04011511122D

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 15  7  1  0  0  0  0
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 20  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,579)
1579

>  <Formula> (1,579)
C18H15NO3

>  <MolWeight> (1,579)
293.3166

>  <Item Name> (1,579)
Oxaprozin

>  <Catalog Number> (1,579)
S4230

>  <Synonyms> (1,579)
N/A

>  <Target> (1,579)
Others

>  <Form> (1,579)
Free Base

>  <URL> (1,579)
http://www.selleckchem.com/products/oxaprozin.html

>  <CAS Number> (1,579)
21256-18-8

>  <Plate Location> (1,579)
d4

>  <Rack Number> (1,579)
L1700-18

$$$$
Oxybuprocaine HCl.cdx
csChFnd80/04011511122D

 23 22  0  0  0  0  0  0  0  0999 V2000
    4.2137    7.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4684    6.0007    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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 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,580)
1580

>  <Formula> (1,580)
C17H29ClN2O3

>  <MolWeight> (1,580)
344.87676

>  <Item Name> (1,580)
Oxybuprocaine HCl

>  <Catalog Number> (1,580)
S4229

>  <Synonyms> (1,580)
N/A

>  <Target> (1,580)
Others

>  <Form> (1,580)
HCl

>  <URL> (1,580)
http://www.selleckchem.com/products/oxybuprocaine-hcl.html

>  <CAS Number> (1,580)
5987-82-6

>  <Plate Location> (1,580)
c4

>  <Rack Number> (1,580)
L1700-18

$$$$
pheniramine maleate .cdx
csChFnd80/04011511122D

 26 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
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 10 11  1  0  0  0  0
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 14  9  1  0  0  0  0
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 20 23  2  0  0  0  0
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 24 25  1  0  0  0  0
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M  END
>  <Mol_ID> (1,581)
1581

>  <Formula> (1,581)
C20H24N2O4

>  <MolWeight> (1,581)
356.41556

>  <Item Name> (1,581)
Pheniramine Maleate

>  <Catalog Number> (1,581)
S4045

>  <Synonyms> (1,581)
N/A

>  <Target> (1,581)
Others

>  <Form> (1,581)
Maleate

>  <URL> (1,581)
http://www.selleckchem.com/products/pheniramine-maleate.html

>  <CAS Number> (1,581)
132-20-7

>  <Plate Location> (1,581)
e8

>  <Rack Number> (1,581)
L1700-16

$$$$
Pilocarpine HCl.cdx
csChFnd80/04011511122D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.1810    3.5554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1070    2.1574    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3437    4.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  1  0  0  0  0
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 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,582)
1582

>  <Formula> (1,582)
C11H17ClN2O2

>  <MolWeight> (1,582)
244.71788

>  <Item Name> (1,582)
Pilocarpine HCl

>  <Catalog Number> (1,582)
S4231

>  <Synonyms> (1,582)
N/A

>  <Target> (1,582)
Others

>  <Form> (1,582)
HCl

>  <URL> (1,582)
http://www.selleckchem.com/products/pilocarpine-hcl.html

>  <CAS Number> (1,582)
54-71-7

>  <Plate Location> (1,582)
e4

>  <Rack Number> (1,582)
L1700-18

$$$$
Piperacillin Sodium.cdx
csChFnd80/04011511122D

 37 39  0  0  0  0  0  0  0  0999 V2000
    8.6817    4.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6817    3.2053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2498    4.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0624    5.0161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    2.7366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2498    3.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168    5.2795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0624    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 26  2  0  0  0  0
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 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  2  0  0  0  0
 32 33  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (1,583)
1583

>  <Formula> (1,583)
C23H26N5NaO7S

>  <MolWeight> (1,583)
539.53661

>  <Item Name> (1,583)
Piperacillin Sodium

>  <Catalog Number> (1,583)
S4222

>  <Synonyms> (1,583)
N/A

>  <Target> (1,583)
Others

>  <Form> (1,583)
Sodium

>  <URL> (1,583)
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$$$$
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M  END
>  <Mol_ID> (1,589)
1589

>  <Formula> (1,589)
C22H32ClN3O7

>  <MolWeight> (1,589)
485.95838

>  <Item Name> (1,589)
Prucalopride Succinat

>  <Catalog Number> (1,589)
S4247

>  <Synonyms> (1,589)
N/A

>  <Target> (1,589)
Others

>  <Form> (1,589)
Succinat

>  <URL> (1,589)
http://www.selleckchem.com/products/prucalopride-succinat.html

>  <CAS Number> (1,589)
179474-85-2

>  <Plate Location> (1,589)
a6

>  <Rack Number> (1,589)
L1700-18

$$$$
Bromfenac sodium.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,590)
1590

>  <Formula> (1,590)
C15H11BrNNaO3

>  <MolWeight> (1,590)
356.14651

>  <Item Name> (1,590)
Bromfenac Sodium

>  <Catalog Number> (1,590)
S4248

>  <Synonyms> (1,590)
N/A

>  <Target> (1,590)
Others

>  <Form> (1,590)
Sodium

>  <URL> (1,590)
http://www.selleckchem.com/products/bromfenac-sodium.html

>  <CAS Number> (1,590)
91714-93-1

>  <Plate Location> (1,590)
b6

>  <Rack Number> (1,590)
L1700-18

$$$$
Flopropione.cdx
csChFnd80/04011511122D

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    3.6382    2.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,591)
1591

>  <Formula> (1,591)
C9H10O4

>  <MolWeight> (1,591)
182.1733

>  <Item Name> (1,591)
Flopropione

>  <Catalog Number> (1,591)
S4249

>  <Synonyms> (1,591)
N/A

>  <Target> (1,591)
Others

>  <Form> (1,591)
Free Base

>  <URL> (1,591)
http://www.selleckchem.com/products/flopropione.html

>  <CAS Number> (1,591)
2295-58-1

>  <Plate Location> (1,591)
c6

>  <Rack Number> (1,591)
L1700-18

$$$$
S4246.cdx
csChFnd80/04011511122D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.5079    5.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9325    5.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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A   12
relative stereochemistry
M  END
>  <Mol_ID> (1,592)
1592

>  <Formula> (1,592)
C9H12ClNR

>  <MolWeight> (1,592)
169.65128

>  <Item Name> (1,592)
Tranylcypromine (2-PCPA) HCl

>  <Catalog Number> (1,592)
S4246

>  <Synonyms> (1,592)
N/A

>  <Target> (1,592)
MAO

>  <Form> (1,592)
Salt

>  <URL> (1,592)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

>  <CAS Number> (1,592)
4548-34-9

>  <Plate Location> (1,592)
h5

>  <Rack Number> (1,592)
L1700-18

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/04011511122D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,593)
1593

>  <Formula> (1,593)
C11H12N4O3S

>  <MolWeight> (1,593)
280.30298

>  <Item Name> (1,593)
Sulfamethoxypyridazine

>  <Catalog Number> (1,593)
S4250

>  <Synonyms> (1,593)
N/A

>  <Target> (1,593)
Others

>  <Form> (1,593)
Free Base

>  <URL> (1,593)
http://www.selleckchem.com/products/sulfamethoxypyridazine.html

>  <CAS Number> (1,593)
80-35-3

>  <Plate Location> (1,593)
d6

>  <Rack Number> (1,593)
L1700-18

$$$$
Phenothiazine.cdx
csChFnd80/04011511122D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,594)
1594

>  <Formula> (1,594)
C12H9NS

>  <MolWeight> (1,594)
199.27156

>  <Item Name> (1,594)
Phenothiazine

>  <Catalog Number> (1,594)
S4251

>  <Synonyms> (1,594)
N/A

>  <Target> (1,594)
Others

>  <Form> (1,594)
Free Base

>  <URL> (1,594)
http://www.selleckchem.com/products/phenothiazine.html

>  <CAS Number> (1,594)
92-84-2

>  <Plate Location> (1,594)
e6

>  <Rack Number> (1,594)
L1700-18

$$$$
Mechlorethamine HCl.cdx
csChFnd80/04011511122D

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    7.2744    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,595)
1595

>  <Formula> (1,595)
C5H12Cl3N

>  <MolWeight> (1,595)
192.51448

>  <Item Name> (1,595)
Mechlorethamine HCl

>  <Catalog Number> (1,595)
S4252

>  <Synonyms> (1,595)
N/A

>  <Target> (1,595)
Others

>  <Form> (1,595)
HCl

>  <URL> (1,595)
http://www.selleckchem.com/products/mechlorethamine-hcl.html

>  <CAS Number> (1,595)
55-86-7

>  <Plate Location> (1,595)
f6

>  <Rack Number> (1,595)
L1700-18

$$$$
Epinastine HCl.cdx
csChFnd80/04011511122D

 21 23  0  0  0  0  0  0  0  0999 V2000
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Epinastine HCl

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g6

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>  <CAS Number> (1,597)
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e4

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RAAS

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>  <Mol_ID> (1,600)
1600

>  <Formula> (1,600)
C17H17BrN2O5

>  <MolWeight> (1,600)
409.23128

>  <Item Name> (1,600)
HA14-1

>  <Catalog Number> (1,600)
S1071

>  <Synonyms> (1,600)
HA141

>  <Target> (1,600)
Bcl-2

>  <Form> (1,600)
Free Base

>  <URL> (1,600)
http://www.selleckchem.com/products/HA14-1.html

>  <CAS Number> (1,600)
65673-63-4

>  <Plate Location> (1,600)
h7

>  <Rack Number> (1,600)
L1700-01

$$$$
CEPHALEXIN (cephalexin).cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,601)
1601

>  <Formula> (1,601)
C16H17N3O4S

>  <MolWeight> (1,601)
347.38888

>  <Item Name> (1,601)
Cephalexin (Cefalexin)

>  <Catalog Number> (1,601)
S1502

>  <Synonyms> (1,601)
Cefalexin, Alcephin, Cefablan, keflex,Cefadin, Tepaxin

>  <Target> (1,601)
Others

>  <Form> (1,601)
Free Base

>  <URL> (1,601)
http://www.selleckchem.com/products/Cephalexin-(Cefalexin).html

>  <CAS Number> (1,601)
15686-71-2

>  <Plate Location> (1,601)
e11

>  <Rack Number> (1,601)
L1700-04

$$$$
Mitoxantrone.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,602)
1602

>  <Formula> (1,602)
C22H28N4O6

>  <MolWeight> (1,602)
444.48092

>  <Item Name> (1,602)
Mitoxantrone

>  <Catalog Number> (1,602)
S1889

>  <Synonyms> (1,602)
Novantrone

>  <Target> (1,602)
Topoisomerase

>  <Form> (1,602)
Free Base

>  <URL> (1,602)
http://www.selleckchem.com/products/Mitoxantrone.html

>  <CAS Number> (1,602)
70476-82-3

>  <Plate Location> (1,602)
e5

>  <Rack Number> (1,602)
L1700-07

$$$$
Aloe-emodin.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,603)
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>  <Formula> (1,603)
C15H10O5

>  <MolWeight> (1,603)
270.2369

>  <Item Name> (1,603)
Aloe-emodin

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S2259

>  <Synonyms> (1,603)
N/A

>  <Target> (1,603)
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>  <Form> (1,603)
Free Base

>  <URL> (1,603)
http://www.selleckchem.com/products/Aloe-emodin.html

>  <CAS Number> (1,603)
481-72-1

>  <Plate Location> (1,603)
d9

>  <Rack Number> (1,603)
L1700-09

$$$$
I-BET151 (GSK1210151A).cdx
csChFnd80/04011511122D

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1604

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I-BET151 (GSK1210151A)

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N/A

>  <Target> (1,604)
Epigenetic Reader Domain

>  <Form> (1,604)
Free Base

>  <URL> (1,604)
http://www.selleckchem.com/products/i-bet151-gsk1210151a.html

>  <CAS Number> (1,604)
1300031-49-5

>  <Plate Location> (1,604)
g9

>  <Rack Number> (1,604)
L1700-13

$$$$
OC000459.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,605)
1605

>  <Formula> (1,605)
C21H17FN2O2

>  <MolWeight> (1,605)
348.3702832

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OC000459

>  <Catalog Number> (1,605)
S2822

>  <Synonyms> (1,605)
N/A

>  <Target> (1,605)
GPR
GPR

>  <Form> (1,605)
Free Base

>  <URL> (1,605)
http://www.selleckchem.com/products/oc000459.html

>  <CAS Number> (1,605)
851723-84-7, 950688-14-9 (sodium salt)

>  <Plate Location> (1,605)
g2

>  <Rack Number> (1,605)
L1700-14

$$$$
purmorphamine.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,606)
1606

>  <Formula> (1,606)
C31H32N6O2

>  <MolWeight> (1,606)
520.62478

>  <Item Name> (1,606)
Purmorphamine

>  <Catalog Number> (1,606)
S3042

>  <Synonyms> (1,606)
N/A

>  <Target> (1,606)
Hedgehog/Smoothened

>  <Form> (1,606)
Free Base

>  <URL> (1,606)
http://www.selleckchem.com/products/purmorphamine.html

>  <CAS Number> (1,606)
483367-10-8

>  <Plate Location> (1,606)
c4

>  <Rack Number> (1,606)
L1700-15

$$$$
Verapamil HCl.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,607)
1607

>  <Formula> (1,607)
C27H39ClN2O4

>  <MolWeight> (1,607)
491.06256

>  <Item Name> (1,607)
Verapamil HCl

>  <Catalog Number> (1,607)
S4202

>  <Synonyms> (1,607)
N/A

>  <Target> (1,607)
Others

>  <Form> (1,607)
HCl

>  <URL> (1,607)
http://www.selleckchem.com/products/verapami-hcl.html

>  <CAS Number> (1,607)
152-11-4

>  <Plate Location> (1,607)
d1

>  <Rack Number> (1,607)
L1700-18

$$$$
VX-745.cdx
csChFnd80/04011511122D

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p38 MAPK 

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Free Base

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g7

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L1700-04

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untitled.cdx
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35943-35-2

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f1

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L1700-02

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csChFnd80/04011511122D

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c3

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csChFnd80/04011511122D

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HCl

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csChFnd80/04011511122D

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Akt

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486424-20-8

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e6

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L1700-20

$$$$
¦Â-Lapachone (ARQ-501).cdx
csChFnd80/04011511122D

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1627

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C15H14O3

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Beta-Lapachone

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S7261

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¦Â-Lapachone, ARQ-501

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Topoisomerase

>  <Form> (1,627)
Free Base

>  <URL> (1,627)
http://www.selleckchem.com/products/beta-lapachone.html

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4707-32-8

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b7

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L1700-20

$$$$
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csChFnd80/04011511122D

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C23H26ClNO

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>  <Item Name> (1,628)
ZM 39923 HCl

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S8004

>  <Synonyms> (1,628)
N/A

>  <Target> (1,628)
JAK

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HCl

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http://www.selleckchem.com/products/zm-39923-hcl.html

>  <CAS Number> (1,628)
1021868-92-7

>  <Plate Location> (1,628)
a2

>  <Rack Number> (1,628)
L1700-22

$$$$
dynasore .cdx
csChFnd80/04011511122D

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1629

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C18H14N2O4

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>  <Target> (1,629)
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Free Base

>  <URL> (1,629)
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304448-55-3

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g5

>  <Rack Number> (1,629)
L1700-22

$$$$
PluriSln 1(NSC 14613).cdx
csChFnd80/04011511122D

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PluriSIn #1 (NSC 14613)

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Free Base

>  <URL> (1,630)
http://www.selleckchem.com/products/PluriSIn-1-nsc-14613.html

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91396-88-2

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d7

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L1700-22

$$$$
SGC 0946.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,631)
1631

>  <Formula> (1,631)
C28H40BrN7O4

>  <MolWeight> (1,631)
618.5657

>  <Item Name> (1,631)
SGC 0946

>  <Catalog Number> (1,631)
S7079

>  <Synonyms> (1,631)
N/A

>  <Target> (1,631)
Histone Methyltransferase

>  <Form> (1,631)
Free Base

>  <URL> (1,631)
http://www.selleckchem.com/products/sgc-0946.html

>  <Plate Location> (1,631)
e6

>  <Rack Number> (1,631)
L1700-19

$$$$
Erastin.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,632)
1632

>  <Formula> (1,632)
C30H31ClN4O4

>  <MolWeight> (1,632)
547.04454

>  <Item Name> (1,632)
Erastin

>  <Catalog Number> (1,632)
S7242

>  <Synonyms> (1,632)
N/A

>  <Target> (1,632)
Ferroptosis

>  <Form> (1,632)
Free Base

>  <URL> (1,632)
http://www.selleckchem.com/products/erastin.html

>  <CAS Number> (1,632)
571203-78-6

>  <Plate Location> (1,632)
h5

>  <Rack Number> (1,632)
L1700-20

$$$$
RAD51 inhibitor RI-1.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,633)
1633

>  <Formula> (1,633)
C14H11Cl3N2O3

>  <MolWeight> (1,633)
361.60774

>  <Item Name> (1,633)
RI-1

>  <Catalog Number> (1,633)
S8077

>  <Synonyms> (1,633)
RAD51 inhibitor 1

>  <Target> (1,633)
Others

>  <Form> (1,633)
Free Base

>  <URL> (1,633)
http://www.selleckchem.com/products/ri-1.html

>  <CAS Number> (1,633)
415713-60-9

>  <Plate Location> (1,633)
e7

>  <Rack Number> (1,633)
L1700-22

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,634)
1634

>  <Formula> (1,634)
C26H27N5O5S2

>  <MolWeight> (1,634)
553.65308

>  <Item Name> (1,634)
Ro 31-8220 Mesylate

>  <Catalog Number> (1,634)
S7207

>  <Synonyms> (1,634)
Bisindolylmaleimide IX Mesylate

>  <Target> (1,634)
PKC

>  <Form> (1,634)
Mesylate

>  <URL> (1,634)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

>  <CAS Number> (1,634)
138489-18-6

>  <Plate Location> (1,634)
a4

>  <Rack Number> (1,634)
L1700-20

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/04011511122D

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>  <Formula> (1,635)
C8H7NO2S

>  <MolWeight> (1,635)
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>  <Item Name> (1,635)
Pifithrin-¦Ì

>  <Catalog Number> (1,635)
S2930

>  <Synonyms> (1,635)
NSC 303580, PFT¦Ì

>  <Target> (1,635)
p53

>  <Form> (1,635)
Free Base

>  <URL> (1,635)
http://www.selleckchem.com/products/pifithrin-u.html

>  <CAS Number> (1,635)
64984-31-2

>  <Plate Location> (1,635)
h11

>  <Rack Number> (1,635)
L1700-14

$$$$
AZD1981.cdx
csChFnd80/04011511122D

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  9  5  1  0  0  0  0
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  7 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,636)
1636

>  <Formula> (1,636)
C19H17ClN2O3S

>  <MolWeight> (1,636)
388.86788

>  <Item Name> (1,636)
AZD1981

>  <Catalog Number> (1,636)
S7263

>  <Synonyms> (1,636)
N/A

>  <Target> (1,636)
GPR

>  <Form> (1,636)
Free Base

>  <URL> (1,636)
http://www.selleckchem.com/products/azd1981.html

>  <CAS Number> (1,636)
802904-66-1

>  <Plate Location> (1,636)
c7

>  <Rack Number> (1,636)
L1700-20

$$$$
Bardoxolone Methyl.cdx
csChFnd80/04011511122D

 40 44  0  0  0  0  0  0  0  0999 V2000
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 25 35  1  0  0  0  0
  9 36  1  1  0  0  0
  8 37  1  6  0  0  0
 22 38  1  1  0  0  0
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 12 40  1  6  0  0  0
M  END
>  <Mol_ID> (1,637)
1637

>  <Formula> (1,637)
C32H43NO4

>  <MolWeight> (1,637)
505.68812

>  <Item Name> (1,637)
Bardoxolone Methyl

>  <Catalog Number> (1,637)
S8078

>  <Synonyms> (1,637)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (1,637)
I¦ÊB/IKK

>  <Form> (1,637)
Free Base

>  <URL> (1,637)
http://www.selleckchem.com/products/bardoxolone-methyl.html

>  <CAS Number> (1,637)
218600-53-4

>  <Plate Location> (1,637)
f7

>  <Rack Number> (1,637)
L1700-22

$$$$
CZC24832.cdx
csChFnd80/04011511122D

 25 27  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
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M  END
>  <Mol_ID> (1,638)
1638

>  <Formula> (1,638)
C15H17FN6O2S

>  <MolWeight> (1,638)
364.3978832

>  <Item Name> (1,638)
CZC24832

>  <Catalog Number> (1,638)
S7018

>  <Synonyms> (1,638)
N/A

>  <Target> (1,638)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (1,638)
Free Base

>  <URL> (1,638)
http://www.selleckchem.com/products/czc24832.html

>  <CAS Number> (1,638)
1159824-67-5

>  <Plate Location> (1,638)
c3

>  <Rack Number> (1,638)
L1700-19

$$$$
SGI-1027.cdx
csChFnd80/04011511122D

 35 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 33 28  1  0  0  0  0
 32 34  1  0  0  0  0
 30 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,639)
1639

>  <Formula> (1,639)
C27H23N7O

>  <MolWeight> (1,639)
461.51782

>  <Item Name> (1,639)
SGI-1027

>  <Catalog Number> (1,639)
S7276

>  <Synonyms> (1,639)
DNA Methyltransferase Inhibitor II

>  <Target> (1,639)
DNA Methyltransferase

>  <Form> (1,639)
Free Base

>  <URL> (1,639)
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>  <CAS Number> (1,639)
1020149-73-8

>  <Plate Location> (1,639)
b8

>  <Rack Number> (1,639)
L1700-20

$$$$
SRPIN340.cdx
csChFnd80/04011511122D

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>  <Target> (1,640)
Others

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Free Base

>  <URL> (1,640)
http://www.selleckchem.com/products/srpin340.html

>  <CAS Number> (1,640)
218156-96-8

>  <Plate Location> (1,640)
g7

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L1700-20

$$$$
ETP-46464.cdx
csChFnd80/04011511122D

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mTOR

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>  <CAS Number> (1,641)
1345675-02-6

>  <Plate Location> (1,641)
b6

>  <Rack Number> (1,641)
L1700-22

$$$$
Golgicide A.cdx
csChFnd80/04011511122D

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>  <Catalog Number> (1,642)
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>  <Synonyms> (1,642)
N/A

>  <Target> (1,642)
ATPase

>  <Form> (1,642)
Free Base

>  <URL> (1,642)
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>  <CAS Number> (1,642)
1139889-93-2

>  <Plate Location> (1,642)
e7

>  <Rack Number> (1,642)
L1700-20

$$$$
CO-1686(AVL-301).cdx
csChFnd80/04011511122D

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53-19-0

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h6

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csChFnd80/04011511122D

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Zadipina

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Free Base

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63675-72-9

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e8

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L1700-06

$$$$
METI-DERM (prednisolone).cdx
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C21H28O5

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Prednisolone

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S1737

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Decaprednil, Predonine

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Free Base

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http://www.selleckchem.com/products/Prednisolone(Hydroretrocortine).html

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50-24-8

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e7

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L1700-06

$$$$
Rifabutin.cdx
csChFnd80/04011511122D

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C46H62N4O11

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Rifabutin

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S1741

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Mycobutin, Ansamycin, LM 427, Ansatipine

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http://www.selleckchem.com/products/Rifabutin(Mycobutin).html

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72559-06-9

>  <Plate Location> (1,656)
a8

>  <Rack Number> (1,656)
L1700-06

$$$$
Rifampin.cdx
csChFnd80/04011511122D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (1,657)
1657

>  <Formula> (1,657)
C43H58N4O12

>  <MolWeight> (1,657)
822.94022

>  <Item Name> (1,657)
Rifampin

>  <Catalog Number> (1,657)
S1764

>  <Synonyms> (1,657)
Rifampicin

>  <Target> (1,657)
Others

>  <Form> (1,657)
Free Base

>  <URL> (1,657)
http://www.selleckchem.com/products/Rifampin(Rifadin).html

>  <CAS Number> (1,657)
13292-46-1

>  <Plate Location> (1,657)
d9

>  <Rack Number> (1,657)
L1700-06

$$$$
Rifapentine.cdx
csChFnd80/04011511122D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (1,658)
1658

>  <Formula> (1,658)
C47H64N4O12

>  <MolWeight> (1,658)
877.03066

>  <Item Name> (1,658)
Rifapentine

>  <Catalog Number> (1,658)
S1760

>  <Synonyms> (1,658)
Cyclopentylrifampicin

>  <Target> (1,658)
Others

>  <Form> (1,658)
Free Base

>  <URL> (1,658)
http://www.selleckchem.com/products/Rifapentine(Priftin).html

>  <CAS Number> (1,658)
61379-65-5

>  <Plate Location> (1,658)
h8

>  <Rack Number> (1,658)
L1700-06

$$$$
spironolactone.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,659)
1659

>  <Formula> (1,659)
C24H32O4S

>  <MolWeight> (1,659)
416.57348

>  <Item Name> (1,659)
spironolactone

>  <Catalog Number> (1,659)
S4054

>  <Synonyms> (1,659)
N/A

>  <Target> (1,659)
Androgen Receptor

>  <Form> (1,659)
Free Base

>  <URL> (1,659)
http://www.selleckchem.com/products/spironolactone.html

>  <CAS Number> (1,659)
52-01-7

>  <Plate Location> (1,659)
e9

>  <Rack Number> (1,659)
L1700-16

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,660)
1660

>  <Formula> (1,660)
C15H12O7

>  <MolWeight> (1,660)
304.25158

>  <Item Name> (1,660)
Taxifolin (Dihydroquercetin)

>  <Catalog Number> (1,660)
S2366

>  <Synonyms> (1,660)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (1,660)
Others

>  <Form> (1,660)
Free Base

>  <URL> (1,660)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

>  <CAS Number> (1,660)
480-18-2

>  <Plate Location> (1,660)
c8

>  <Rack Number> (1,660)
L1700-10

$$$$
Terbinafine.cdx
csChFnd80/04011511122D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,661)
1661

>  <Formula> (1,661)
C21H25N

>  <MolWeight> (1,661)
291.4299

>  <Item Name> (1,661)
Terbinafine

>  <Catalog Number> (1,661)
S1725

>  <Synonyms> (1,661)
Lamisil, Terbinex, Corbinal, Zabel

>  <Target> (1,661)
Others

>  <Form> (1,661)
Free Base

>  <URL> (1,661)
http://www.selleckchem.com/products/Terbinafine(Lamisil).html

>  <CAS Number> (1,661)
91161-71-6

>  <Plate Location> (1,661)
d6

>  <Rack Number> (1,661)
L1700-06

$$$$
Alizapride hydrochloride.cdx
csChFnd80/04011511122D

 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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M  END
>  <Mol_ID> (1,662)
1662

>  <Formula> (1,662)
C16H22ClN5O2

>  <MolWeight> (1,662)
351.83118

>  <Item Name> (1,662)
Alizapride hydrochloride

>  <Catalog Number> (1,662)
S4257 

>  <Synonyms> (1,662)
N/A

>  <Target> (1,662)
Others

>  <Form> (1,662)
hydrochloride

>  <URL> (1,662)
http://www.selleckchem.com/products/alizapride-hcl.html

>  <CAS Number> (1,662)
59338-87-3

>  <Plate Location> (1,662)
b7

>  <Rack Number> (1,662)
L1700-18

$$$$
Brimonidine Tartrate.cdx
csChFnd80/04011511122D

 27 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,663)
1663

>  <Formula> (1,663)
C15H16BrN5O6

>  <MolWeight> (1,663)
442.22144

>  <Item Name> (1,663)
Brimonidine Tartrate

>  <Catalog Number> (1,663)
S4266

>  <Synonyms> (1,663)
N/A

>  <Target> (1,663)
Others

>  <Form> (1,663)
Tartrate

>  <URL> (1,663)
http://www.selleckchem.com/products/brimonidine-tartrate.html

>  <CAS Number> (1,663)
70359-46-5

>  <Plate Location> (1,663)
b8

>  <Rack Number> (1,663)
L1700-18

$$$$
Buspirone hydrochloride.cdx
csChFnd80/04011511122D

 29 31  0  0  0  0  0  0  0  0999 V2000
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1664

>  <Formula> (1,664)
C21H32ClN5O2

>  <MolWeight> (1,664)
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>  <Item Name> (1,664)
Buspirone hydrochloride

>  <Catalog Number> (1,664)
S4256 

>  <Synonyms> (1,664)
N/A

>  <Target> (1,664)
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>  <Form> (1,664)
hydrochloride

>  <URL> (1,664)
http://www.selleckchem.com/products/buspirone-hcl.html

>  <CAS Number> (1,664)
33386-08-2

>  <Plate Location> (1,664)
a7

>  <Rack Number> (1,664)
L1700-18

$$$$
Diacerein.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,665)
1665

>  <Formula> (1,665)
C19H12O8

>  <MolWeight> (1,665)
368.29378

>  <Item Name> (1,665)
Diacerein

>  <Catalog Number> (1,665)
S4267 

>  <Synonyms> (1,665)
N/A

>  <Target> (1,665)
Others

>  <Form> (1,665)
Free Base

>  <URL> (1,665)
http://www.selleckchem.com/products/diacerein.html

>  <CAS Number> (1,665)
13739-02-1

>  <Plate Location> (1,665)
c8

>  <Rack Number> (1,665)
L1700-18

$$$$
RAPAFLO (silodosin).cdx
csChFnd80/04011511122D

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1666

>  <Formula> (1,666)
C25H32F3N3O4

>  <MolWeight> (1,666)
495.5344896

>  <Item Name> (1,666)
Silodosin

>  <Catalog Number> (1,666)
S1613

>  <Synonyms> (1,666)
N/A

>  <Target> (1,666)
Adrenergic Recepto

>  <Form> (1,666)
Free Base

>  <URL> (1,666)
http://www.selleckchem.com/products/Silodosin(Rapaflo).html

>  <CAS Number> (1,666)
160970-54-7

>  <Plate Location> (1,666)
c8

>  <Rack Number> (1,666)
L1700-05

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,667)
1667

>  <Formula> (1,667)
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L1700-13

$$$$
Efaproxiral sodium.cdx
csChFnd80/04011511122D

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>  <Synonyms> (1,668)
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>  <Target> (1,668)
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sodium

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>  <CAS Number> (1,668)
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>  <Plate Location> (1,668)
g7

>  <Rack Number> (1,668)
L1700-18

$$$$
Etofibrate.cdx
csChFnd80/04011511122D

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C18H18ClNO5

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Etofibrate

>  <Catalog Number> (1,669)
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N/A

>  <Target> (1,669)
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Free Base

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>  <CAS Number> (1,669)
31637-97-5

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h7

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$$$$
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csChFnd80/04011511122D

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>  <Formula> (1,670)
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S4268 

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N/A

>  <Target> (1,670)
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Free Base

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>  <CAS Number> (1,670)
530-78-9

>  <Plate Location> (1,670)
d8

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L1700-18

$$$$
Luliconazole.cdx
csChFnd80/04011511122D

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>  <Formula> (1,671)
C14H9Cl2N3S2

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Luliconazole

>  <Catalog Number> (1,671)
S4258 

>  <Synonyms> (1,671)
N/A

>  <Target> (1,671)
Others

>  <Form> (1,671)
Free Base

>  <URL> (1,671)
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>  <CAS Number> (1,671)
187164-19-8

>  <Plate Location> (1,671)
c7

>  <Rack Number> (1,671)
L1700-18

$$$$
Nicaraven.cdx
csChFnd80/04011511122D

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>  <Formula> (1,672)
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Nicaraven

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>  <Synonyms> (1,672)
N/A

>  <Target> (1,672)
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Free Base

>  <URL> (1,672)
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>  <CAS Number> (1,672)
79455-30-4

>  <Plate Location> (1,672)
a8

>  <Rack Number> (1,672)
L1700-18

$$$$
Tamibarotene.cdx
csChFnd80/04011511122D

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Histone Methyltransferase

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b10

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$$$$
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OX Receptor

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c8

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$$$$
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HCV Protease

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

>  <CAS Number> (1,707)
1418013-75-8

>  <Plate Location> (1,707)
g8

>  <Rack Number> (1,707)
L1700-20

$$$$
Caffeic acid phenethyl ester(CAPE).cdx
csChFnd80/04011511122D

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C17H16O4

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Caffeic acid phenethyl ester(CAPE)

>  <Catalog Number> (1,708)
S7414

>  <Synonyms> (1,708)
CAPE, Phenylethyl Caffeate

>  <Target> (1,708)
NF-¦ÊB

>  <Form> (1,708)
Free Base

>  <URL> (1,708)
http://www.selleckchem.com/products/caffeic-acid-phenethyl-ester.html

>  <CAS Number> (1,708)
104594-70-9

>  <Plate Location> (1,708)
e4

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L1700-21

$$$$
LGK-974.cdx
csChFnd80/04011511122D

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1709

>  <Formula> (1,709)
C23H20N6O

>  <MolWeight> (1,709)
396.4445

>  <Item Name> (1,709)
LGK-974

>  <Catalog Number> (1,709)
S7143

>  <Synonyms> (1,709)
N/A

>  <Target> (1,709)
Wnt/beta-catenin

>  <Form> (1,709)
Free Base

>  <URL> (1,709)
http://www.selleckchem.com/products/lgk-974.html

>  <CAS Number> (1,709)
1243244-14-5

>  <Plate Location> (1,709)
f11

>  <Rack Number> (1,709)
L1700-19

$$$$
Doxycycline hyclate.cdx
csChFnd80/04011511122D

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>  <Item Name> (1,710)
Doxycycline hyclate

>  <Catalog Number> (1,710)
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>  <Synonyms> (1,710)
N/A

>  <Target> (1,710)
Others

>  <Form> (1,710)
hyclate

>  <URL> (1,710)
http://www.selleckchem.com/products/doxycycline-hyclate.html

>  <CAS Number> (1,710)
24390-14-5

>  <Plate Location> (1,710)
b8

>  <Rack Number> (1,710)
L1700-17

$$$$
LM-3067 4¦Ì8C.cdx
csChFnd80/04011511122D

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1445251-22-8

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a6

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L1700-21

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E-64d(Aloxistatin,Loxistatin£©.cdx
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E-64d

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b10

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>  <URL> (1,752)
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940289-57-6

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a7

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L1700-21

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csChFnd80/04011511122D

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Entospletinib (GS-9973)

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>  <Target> (1,756)
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e10

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L1700-21

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/04011511122D

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C17H22Cl2N2O3S

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K-Ras(G12C) inhibitor 6

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N/A

>  <Target> (1,757)
Rho

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Free Base

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No

>  <Plate Location> (1,757)
g11

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$$$$
DMH1.cdx
csChFnd80/04011511122D

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h11

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$$$$
LDN-212854.cdx
csChFnd80/04011511122D

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>  <Formula> (1,762)
C53H66N4O20

>  <MolWeight> (1,762)
1079.10594

>  <Item Name> (1,762)
Vinorelbine Tartrate

>  <Catalog Number> (1,762)
S4269

>  <Synonyms> (1,762)
N/A

>  <Target> (1,762)
Microtubule Associated

>  <Form> (1,762)
Salt

>  <URL> (1,762)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

>  <CAS Number> (1,762)
125317-39-7

>  <Plate Location> (1,762)
e8

>  <Rack Number> (1,762)
L1700-18

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/04011511122D

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1763

>  <Formula> (1,763)
C15H26N2O5

>  <MolWeight> (1,763)
314.37734

>  <Item Name> (1,763)
Loxistatin Acid (E-64C)

>  <Catalog Number> (1,763)
S7392

>  <Synonyms> (1,763)
NSC 694279, EP 475

>  <Target> (1,763)
Cysteine Protease

>  <Form> (1,763)
Free Base

>  <URL> (1,763)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

>  <CAS Number> (1,763)
76684-89-4

>  <Plate Location> (1,763)
a4

>  <Rack Number> (1,763)
L1700-21

$$$$
Trelagliptin.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,764)
1764

>  <Formula> (1,764)
C18H20FN5O2

>  <MolWeight> (1,764)
357.3821032

>  <Item Name> (1,764)
Trelagliptin

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S7513

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SYR-472

>  <Target> (1,764)
DPP-4

>  <Form> (1,764)
Free Base

>  <URL> (1,764)
http://www.selleckchem.com/products/trelagliptin.html

>  <CAS Number> (1,764)
865759-25-7

>  <Plate Location> (1,764)
g9

>  <Rack Number> (1,764)
L1700-21

$$$$
PU-H71.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,765)
1765

>  <Formula> (1,765)
C18H21IN6O2S

>  <MolWeight> (1,765)
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PU-H71

>  <Catalog Number> (1,765)
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NSC 750424

>  <Target> (1,765)
HSP 

>  <Form> (1,765)
Free Base

>  <URL> (1,765)
http://www.selleckchem.com/products/pu-h71.html

>  <CAS Number> (1,765)
873436-91-0

>  <Plate Location> (1,765)
b5

>  <Rack Number> (1,765)
L1700-22

$$$$
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csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,774)
1774

>  <Formula> (1,774)
C26H32ClN2O8PS

>  <MolWeight> (1,774)
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>  <Item Name> (1,774)
KN-93 Phosphate 

>  <Catalog Number> (1,774)
S7423

>  <Synonyms> (1,774)
N/A

>  <Target> (1,774)
Others

>  <Form> (1,774)
Free Base

>  <URL> (1,774)
http://www.selleckchem.com/products/kn-93-phosphate.html

>  <CAS Number> (1,774)
1188890-41-6

>  <Plate Location> (1,774)
a5

>  <Rack Number> (1,774)
L1700-21

$$$$
KN-62.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,775)
1775

>  <Formula> (1,775)
C38H35N5O6S2

>  <MolWeight> (1,775)
721.8444

>  <Item Name> (1,775)
KN-62

>  <Catalog Number> (1,775)
S7422

>  <Synonyms> (1,775)
N/A

>  <Target> (1,775)
Others

>  <Form> (1,775)
Free Base

>  <URL> (1,775)
http://www.selleckchem.com/products/kn-62.html

>  <CAS Number> (1,775)
127191-97-3

>  <Plate Location> (1,775)
h4

>  <Rack Number> (1,775)
L1700-21

$$$$
LM-3086.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,776)
1776

>  <Formula> (1,776)
C17H12N2O

>  <MolWeight> (1,776)
260.28998

>  <Item Name> (1,776)
PFK15

>  <Catalog Number> (1,776)
S7289

>  <Synonyms> (1,776)
PFK-015

>  <Target> (1,776)
Others

>  <Form> (1,776)
Free Base

>  <URL> (1,776)
http://www.selleckchem.com/products/pfk15.html

>  <CAS Number> (1,776)
4382-63-2

>  <Plate Location> (1,776)
h8

>  <Rack Number> (1,776)
L1700-20

$$$$
Voreloxin  SNS-595.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,777)
1777

>  <Formula> (1,777)
C18H19N5O4S

>  <MolWeight> (1,777)
401.43956

>  <Item Name> (1,777)
Voreloxin (SNS-595)

>  <Catalog Number> (1,777)
S7518

>  <Synonyms> (1,777)
Vosaroxin

>  <Target> (1,777)
Topoisomerase

>  <Form> (1,777)
Free Base

>  <URL> (1,777)
http://www.selleckchem.com/products/voreloxin-sns-595.html

>  <CAS Number> (1,777)
175414-77-4

>  <Plate Location> (1,777)
c10

>  <Rack Number> (1,777)
L1700-21

$$$$
Tenovin-6 HCl.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,778)
1778

>  <Formula> (1,778)
C25H35ClN4O2S

>  <MolWeight> (1,778)
491.089

>  <Item Name> (1,778)
Tenovin-6

>  <Catalog Number> (1,778)
S4900

>  <Synonyms> (1,778)
N/A

>  <Target> (1,778)
p53

>  <Form> (1,778)
HCl salt

>  <URL> (1,778)
http://www.selleckchem.com/products/tenovin-6.html

>  <CAS Number> (1,778)
1011557-82-6

>  <Plate Location> (1,778)
g11

>  <Rack Number> (1,778)
L1700-18

$$$$
Almorexant HCl.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,779)
1779

>  <Formula> (1,779)
C29H32ClF3N2O3

>  <MolWeight> (1,779)
549.0241896

>  <Item Name> (1,779)
Almorexant HCl

>  <Catalog Number> (1,779)
S2160

>  <Synonyms> (1,779)
N/A

>  <Target> (1,779)
OX Receptor

>  <URL> (1,779)
http://www.selleckchem.com/products/almorexant-hcl.html

>  <CAS Number> (1,779)
913358-93-7

>  <Plate Location> (1,779)
a2

>  <Rack Number> (1,779)
L1700-09

$$$$
HS-173.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,780)
1780

>  <Formula> (1,780)
C21H18N4O4S

>  <MolWeight> (1,780)
422.45702

>  <Item Name> (1,780)
HS-173

>  <Catalog Number> (1,780)
S7356

>  <Synonyms> (1,780)
N/A

>  <Target> (1,780)
PI3K

>  <Form> (1,780)
Free Base

>  <URL> (1,780)
http://www.selleckchem.com/products/hs-173.html

>  <CAS Number> (1,780)
1276110-06-5

>  <Plate Location> (1,780)
g1

>  <Rack Number> (1,780)
L1700-21

$$$$
GSK923295.cdx
csChFnd80/04011511122D

 42 45  0  0  0  0  0  0  0  0999 V2000
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M  END
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>  <Item Name> (1,796)
UNC2881

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S7325

>  <Synonyms> (1,796)
N/A

>  <Target> (1,796)
Others

>  <Form> (1,796)
Free Base

>  <URL> (1,796)
http://www.selleckchem.com/products/unc2881.html

>  <CAS Number> (1,796)
1493764-08-1

>  <Plate Location> (1,796)
a11

>  <Rack Number> (1,796)
L1700-20

$$$$
Vincristine Sulfate.cdx
csChFnd80/04011511122D

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1797

>  <Formula> (1,797)
C46H58N4O14S

>  <MolWeight> (1,797)
923.03612

>  <Item Name> (1,797)
Vincristine Sulfate

>  <Catalog Number> (1,797)
S1241

>  <Synonyms> (1,797)
Leurocristine

>  <Target> (1,797)
Microtubule Associ

>  <Form> (1,797)
Free Base

>  <URL> (1,797)
http://www.selleckchem.com/products/Vincristine-Sulfate.html

>  <CAS Number> (1,797)
2068-78-2

>  <Plate Location> (1,797)
g2

>  <Rack Number> (1,797)
L1700-03

$$$$
PF-543 .cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,798)
1798

>  <Formula> (1,798)
C27H31NO4S

>  <MolWeight> (1,798)
465.60434

>  <Item Name> (1,798)
PF-543

>  <Catalog Number> (1,798)
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>  <Synonyms> (1,798)
N/A

>  <Target> (1,798)
S1P Receptor

>  <Form> (1,798)
Free Base

>  <URL> (1,798)
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>  <CAS Number> (1,798)
1415562-82-1

>  <Plate Location> (1,798)
g2

>  <Rack Number> (1,798)
L1700-20

$$$$
AZD1208.cdx
csChFnd80/04011511122D

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e8

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L1700-19

$$$$
INH1.cdx
csChFnd80/04011511122D

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C18H16N2OS

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>  <Target> (1,800)
Microtubule Associated

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Free Base

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>  <CAS Number> (1,800)
313553-47-8

>  <Plate Location> (1,800)
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L1700-21

$$$$
PTC-209 HBr.cdx
csChFnd80/04011511122D

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>  <Formula> (1,801)
C17H14Br3N5OS

>  <MolWeight> (1,801)
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>  <Item Name> (1,801)
PTC-209 HBr

>  <Catalog Number> (1,801)
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>  <Synonyms> (1,801)
N/A

>  <Target> (1,801)
Others

>  <Form> (1,801)
Free Base

>  <URL> (1,801)
http://www.selleckchem.com/products/ptc-209-hbr.html

>  <CAS Number> (1,801)
1217022-63-3

>  <Plate Location> (1,801)
c11

>  <Rack Number> (1,801)
L1700-21

$$$$
CX-6258 HCl .cdx
csChFnd80/04011511122D

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>  <Formula> (1,802)
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>  <Synonyms> (1,802)
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>  <CAS Number> (1,802)
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>  <Plate Location> (1,802)
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L1700-19

$$$$
EHT 1864.cdx
csChFnd80/04011511122D

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g6

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L1700-19

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INH6.cdx
csChFnd80/04011511122D

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1001753-24-7

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g8

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L1700-21

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c5

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PI-1840.cdx
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1401223-22-0

>  <Plate Location> (1,811)
e7

>  <Rack Number> (1,811)
L1700-21

$$$$
(-)-p-Bromotetramisole oxalate.cdx
csChFnd80/04011511122D

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(-)-p-Bromotetramisole Oxalate

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S7383

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L-p-Bromotetramisole Oxalate

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>  <Form> (1,812)
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62284-79-1

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g3

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L1700-21

$$$$
AEBSF hydrochloride .cdx
csChFnd80/04011511122D

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30827-99-7

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c3

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L1700-21

$$$$
3-Aminobenzamide.cdx
csChFnd80/04011511122D

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C7H8N2O

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PARP

>  <Form> (1,814)
Free Base

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>  <CAS Number> (1,814)
3544-24-9

>  <Plate Location> (1,814)
g8

>  <Rack Number> (1,814)
L1700-18

$$$$
MALT1 inhibitor.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,815)
1815

>  <Formula> (1,815)
C19H17Cl3N4O3

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MI-2 (MALT1 inhibitor)

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S7429

>  <Synonyms> (1,815)
N/A

>  <Target> (1,815)
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>  <Form> (1,815)
Free Base

>  <URL> (1,815)
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1047953-91-2

>  <Plate Location> (1,815)
c5

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L1700-21

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/04011511122D

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1816

>  <Formula> (1,816)
C19H20F3IN2O5S

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Refametinib (RDEA119, Bay 86-9766)

>  <Catalog Number> (1,816)
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BAY 869766

>  <Target> (1,816)
MEK

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Free Base

>  <URL> (1,816)
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>  <CAS Number> (1,816)
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>  <Plate Location> (1,816)
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L1700-01

$$$$
TAPI-1.cdx
csChFnd80/04011511122D

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103476-89-7

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e3

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L1700-21

$$$$
Puromycin dihydrochloride.cdx
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>  <Synonyms> (1,822)
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>  <Target> (1,822)
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>  <Form> (1,822)
Salt

>  <URL> (1,822)
http://www.selleckchem.com/products/Puromycin-2HCl.html

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58-58-2

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f4

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L1700-21

$$$$
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csChFnd80/04011511122D

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1314890-29-3

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h10

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L1700-20

$$$$
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Pritelivir (BAY 57-1293)

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348086-71-5

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L1700-21

$$$$
HJC0350.cdx
csChFnd80/04011511122D

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csChFnd80/04011511122D

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Bcr-Abl

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csChFnd80/04011511122D

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csChFnd80/04011511122D

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307.2161

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Chloroprocaine HCl

>  <Catalog Number> (1,833)
S4284

>  <Synonyms> (1,833)
N/A

>  <Target> (1,833)
Others

>  <Form> (1,833)
Salt

>  <URL> (1,833)
http://www.selleckchem.com/products/chloroprocaine-hci.html

>  <CAS Number> (1,833)
3858-89-7

>  <Plate Location> (1,833)
h9

>  <Rack Number> (1,833)
L1700-18

$$$$
Carteolol hydrochloride.cdx
csChFnd80/04011511122D

 22 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3659    1.9320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
  9 11  2  0  0  0  0
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 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,834)
1834

>  <Formula> (1,834)
C16H25ClN2O3

>  <MolWeight> (1,834)
328.8343

>  <Item Name> (1,834)
Carteolol HCl

>  <Catalog Number> (1,834)
S4278

>  <Synonyms> (1,834)
N/A

>  <Target> (1,834)
Adrenergic Receptor

>  <Form> (1,834)
Salt

>  <URL> (1,834)
http://www.selleckchem.com/products/carteolol-hci.html

>  <CAS Number> (1,834)
51781-21-6

>  <Plate Location> (1,834)
c9

>  <Rack Number> (1,834)
L1700-18

$$$$
Demeclocycline hydrochloride.cdx
csChFnd80/04011511122D

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    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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    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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 18 13  1  0  0  0  0
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 11 23  1  0  0  0  0
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  9 31  1  6  0  0  0
 16 32  1  0  0  0  0
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M  END
>  <Mol_ID> (1,835)
1835

>  <Formula> (1,835)
C21H22Cl2N2O8

>  <MolWeight> (1,835)
501.31398

>  <Item Name> (1,835)
Demeclocycline HCl

>  <Catalog Number> (1,835)
S4279

>  <Synonyms> (1,835)
N/A

>  <Target> (1,835)
Others

>  <Form> (1,835)
Salt

>  <URL> (1,835)
http://www.selleckchem.com/products/demeclocycline-hci.html

>  <CAS Number> (1,835)
64-73-3

>  <Plate Location> (1,835)
d9

>  <Rack Number> (1,835)
L1700-18

$$$$
Cyclobenzaprine HCl.cdx
csChFnd80/04011511122D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  5  1  0  0  0  0
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 15  2  1  0  0  0  0
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M  CFW  17 B_NG_STER 2
M  END
>  <Mol_ID> (1,836)
1836

>  <Formula> (1,836)
C20H22ClN

>  <MolWeight> (1,836)
311.84838

>  <Item Name> (1,836)
Cyclobenzaprine HCl

>  <Catalog Number> (1,836)
S4283

>  <Synonyms> (1,836)
N/A

>  <Target> (1,836)
Others

>  <Form> (1,836)
Salt

>  <URL> (1,836)
http://www.selleckchem.com/products/cyclobenzaprine-hci.html

>  <CAS Number> (1,836)
6202-23-9

>  <Plate Location> (1,836)
g9

>  <Rack Number> (1,836)
L1700-18

$$$$
SB-3CT.cdx
csChFnd80/04011511122D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 14 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,837)
1837

>  <Formula> (1,837)
C15H14O3S2

>  <MolWeight> (1,837)
306.39986

>  <Item Name> (1,837)
SB-3CT

>  <Catalog Number> (1,837)
S7430

>  <Synonyms> (1,837)
N/A

>  <Target> (1,837)
MMP

>  <Form> (1,837)
Free Base

>  <URL> (1,837)
http://www.selleckchem.com/products/sb-3ct.html

>  <CAS Number> (1,837)
292605-14-2

>  <Plate Location> (1,837)
d5

>  <Rack Number> (1,837)
L1700-21

$$$$
Anidulafungin.cdx
csChFnd80/04011511122D

 82 88  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,838)
1838

>  <Formula> (1,838)
C58H73N7O17

>  <MolWeight> (1,838)
1140.23692

>  <Item Name> (1,838)
Anidulafungin (LY303366)

>  <Catalog Number> (1,838)
S4286

>  <Synonyms> (1,838)
N/A

>  <Target> (1,838)
Others

>  <Form> (1,838)
Free Base

>  <URL> (1,838)
http://www.selleckchem.com/products/anidulafungin-ly303366.html

>  <CAS Number> (1,838)
166663-25-8

>  <Plate Location> (1,838)
b10

>  <Rack Number> (1,838)
L1700-18

$$$$
Chloroambucil.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,839)
1839

>  <Formula> (1,839)
C14H19Cl2NO2

>  <MolWeight> (1,839)
304.21216

>  <Item Name> (1,839)
Chloroambucil

>  <Catalog Number> (1,839)
S4288

>  <Synonyms> (1,839)
Chlorambucil

>  <Target> (1,839)
DNA/RNA Synthesis

>  <Form> (1,839)
Free Base

>  <URL> (1,839)
http://www.selleckchem.com/products/chloroambucil.html

>  <CAS Number> (1,839)
305-03-3

>  <Plate Location> (1,839)
c10

>  <Rack Number> (1,839)
L1700-18

$$$$
Bambuterol HCl.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,840)
1840

>  <Formula> (1,840)
C18H30ClN3O5

>  <MolWeight> (1,840)
403.9009

>  <Item Name> (1,840)
Bambuterol HCl

>  <Catalog Number> (1,840)
S4277

>  <Synonyms> (1,840)
N/A

>  <Target> (1,840)
Adrenergic Receptor

>  <Form> (1,840)
Salt

>  <URL> (1,840)
http://www.selleckchem.com/products/bambuterol-hci.html

>  <CAS Number> (1,840)
81732-46-9

>  <Plate Location> (1,840)
b9

>  <Rack Number> (1,840)
L1700-18

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,841)
1841

>  <Formula> (1,841)
C16H21ClIN3O4S

>  <MolWeight> (1,841)
513.77811

>  <Item Name> (1,841)
K-Ras(G12C) inhibitor 9

>  <Catalog Number> (1,841)
S7332

>  <Synonyms> (1,841)
N/A

>  <Target> (1,841)
Rho

>  <Form> (1,841)
Free Base

>  <URL> (1,841)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

>  <CAS Number> (1,841)
1469337-91-4

>  <Plate Location> (1,841)
f11

>  <Rack Number> (1,841)
L1700-20

$$$$
SH-4-54.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,842)
1842

>  <Formula> (1,842)
C29H27F5N2O5S

>  <MolWeight> (1,842)
610.592096

>  <Item Name> (1,842)
SH-4-54

>  <Catalog Number> (1,842)
S7337

>  <Synonyms> (1,842)
N/A

>  <Target> (1,842)
STAT

>  <Form> (1,842)
Free Base

>  <URL> (1,842)
http://www.selleckchem.com/products/sh-4-54.html

>  <CAS Number> (1,842)
1456632-40-8

>  <Plate Location> (1,842)
a1

>  <Rack Number> (1,842)
L1700-21

$$$$
Promethazine hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,843)
1843

>  <Formula> (1,843)
C17H21ClN2S

>  <MolWeight> (1,843)
320.88004

>  <Item Name> (1,843)
Promethazine HCl

>  <Catalog Number> (1,843)
S4293

>  <Synonyms> (1,843)
N/A

>  <Target> (1,843)
Histamine Receptor

>  <Form> (1,843)
Salt

>  <URL> (1,843)
http://www.selleckchem.com/products/promethazine-hcl.html

>  <CAS Number> (1,843)
58-33-3

>  <Plate Location> (1,843)
h10

>  <Rack Number> (1,843)
L1700-18

$$$$
MetoclopraMide HCl.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,844)
1844

>  <Formula> (1,844)
C14H23Cl2N3O2

>  <MolWeight> (1,844)
336.25732

>  <Item Name> (1,844)
MetoclopraMide HCl

>  <Catalog Number> (1,844)
S4289

>  <Synonyms> (1,844)
N/A

>  <Target> (1,844)
Dopamine Receptor

>  <Form> (1,844)
Salt

>  <URL> (1,844)
http://www.selleckchem.com/products/metoclopramide-hcl.html

>  <CAS Number> (1,844)
7232-21-5

>  <Plate Location> (1,844)
d10

>  <Rack Number> (1,844)
L1700-18

$$$$
Zotarolimus.cdx
csChFnd80/04011511122D

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Dopamine Receptor

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h8

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Cysteine Protease

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Free Base

>  <URL> (1,847)
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>  <CAS Number> (1,847)
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b5

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   11.1879    6.6903    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  7  1  0  0  0  0
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  5 17  1  0  0  0  0
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 23 18  1  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
  3 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,849)
1849

>  <Formula> (1,849)
C24H22N4O3

>  <MolWeight> (1,849)
414.45648

>  <Item Name> (1,849)
N6022

>  <Catalog Number> (1,849)
S7589

>  <Synonyms> (1,849)
N/A

>  <Target> (1,849)
Others

>  <Form> (1,849)
Free Base

>  <URL> (1,849)
http://www.selleckchem.com/products/n6022.html

>  <CAS Number> (1,849)
1208315-24-5

>  <Plate Location> (1,849)
h11

>  <Rack Number> (1,849)
L1700-21

$$$$
Diphenidol hydrochloride.cdx
csChFnd80/04011511122D

 24 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
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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    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
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 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,850)
1850

>  <Formula> (1,850)
C21H28ClNO

>  <MolWeight> (1,850)
345.90612

>  <Item Name> (1,850)
Diphenidol HCl

>  <Catalog Number> (1,850)
S4292

>  <Synonyms> (1,850)
N/A

>  <Target> (1,850)
AChR

>  <Form> (1,850)
Salt

>  <URL> (1,850)
http://www.selleckchem.com/products/diphenidol-hcl.html

>  <CAS Number> (1,850)
3254-89-5

>  <Plate Location> (1,850)
g10

>  <Rack Number> (1,850)
L1700-18

$$$$
Phosphoramidon disodium salt.cdx
csChFnd80/04011511122D

 39 40  0  0  0  0  0  0  0  0999 V2000
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    4.1256    5.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7788    2.2115    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   16.1961    4.1895    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 28  1  0  0  0  0
 32 34  1  1  0  0  0
 29 35  1  1  0  0  0
 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,851)
1851

>  <Formula> (1,851)
C23H34N3Na2O10P

>  <MolWeight> (1,851)
589.483461

>  <Item Name> (1,851)
Phosphoramidon Disodium Salt

>  <Catalog Number> (1,851)
S7382

>  <Synonyms> (1,851)
N/A

>  <Target> (1,851)
Others

>  <Form> (1,851)
Salt

>  <URL> (1,851)
http://www.selleckchem.com/products/phosphoramidon-disodium-salt.html

>  <CAS Number> (1,851)
164204-38-0

>  <Plate Location> (1,851)
f3

>  <Rack Number> (1,851)
L1700-21

$$$$
Digoxin .cdx
csChFnd80/04011511122D

 61 68  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9119    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3990    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1553    3.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9782    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.5879    7.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6114    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3990    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,852)
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>  <Formula> (1,852)
C41H64O14

>  <MolWeight> (1,852)
780.93846

>  <Item Name> (1,852)
Digoxin

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S4290

>  <Synonyms> (1,852)
N/A

>  <Target> (1,852)
Sodium Channel

>  <Form> (1,852)
Free Base

>  <URL> (1,852)
http://www.selleckchem.com/products/digoxin.html

>  <CAS Number> (1,852)
20830-75-5

>  <Plate Location> (1,852)
e10

>  <Rack Number> (1,852)
L1700-18

$$$$
Dicoumarol.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,853)
1853

>  <Formula> (1,853)
C19H12O6

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Dicoumarol

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S4299

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Dicumarol

>  <Target> (1,853)
Others

>  <Form> (1,853)
Free Base

>  <URL> (1,853)
http://www.selleckchem.com/products/dicoumarol.html

>  <CAS Number> (1,853)
66-76-2

>  <Plate Location> (1,853)
d11

>  <Rack Number> (1,853)
L1700-18

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,854)
1854

>  <Formula> (1,854)
C19H17NO3

>  <MolWeight> (1,854)
307.34318

>  <Item Name> (1,854)
SF1670 (PTEN inhibitor)

>  <Catalog Number> (1,854)
S7310

>  <Synonyms> (1,854)
N/A

>  <Target> (1,854)
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>  <Form> (1,854)
Free Base

>  <URL> (1,854)
http://www.selleckchem.com/products/sf1670.html

>  <CAS Number> (1,854)
345630-40-2

>  <Plate Location> (1,854)
c10

>  <Rack Number> (1,854)
L1700-20

$$$$
IM-12.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,855)
1855

>  <Formula> (1,855)
C22H20FN3O2

>  <MolWeight> (1,855)
377.4115032

>  <Item Name> (1,855)
IM-12

>  <Catalog Number> (1,855)
S7566

>  <Synonyms> (1,855)
N/A

>  <Target> (1,855)
GSK-3

>  <Form> (1,855)
Free Base

>  <URL> (1,855)
http://www.selleckchem.com/products/im-12.html

>  <CAS Number> (1,855)
1129669-05-1

>  <Plate Location> (1,855)
f11

>  <Rack Number> (1,855)
L1700-21

$$$$
Procainamide hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,856)
1856

>  <Formula> (1,856)
C13H22ClN3O

>  <MolWeight> (1,856)
271.78628

>  <Item Name> (1,856)
Procainamide HCl

>  <Catalog Number> (1,856)
S4294

>  <Synonyms> (1,856)
N/A

>  <Target> (1,856)
Sodium Channel

>  <Form> (1,856)
Salt

>  <URL> (1,856)
http://www.selleckchem.com/products/procainamide-hcl.html

>  <CAS Number> (1,856)
614-39-1

>  <Plate Location> (1,856)
a11

>  <Rack Number> (1,856)
L1700-18

$$$$
Labetalol hydrochloride.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,857)
1857

>  <Formula> (1,857)
C19H25ClN2O3

>  <MolWeight> (1,857)
364.8664

>  <Item Name> (1,857)
Labetalol HCl

>  <Catalog Number> (1,857)
S4291

>  <Synonyms> (1,857)
N/A

>  <Target> (1,857)
Adrenergic Receptor

>  <Form> (1,857)
Salt

>  <URL> (1,857)
http://www.selleckchem.com/products/labetalol-hcl.html

>  <CAS Number> (1,857)
32780-64-6

>  <Plate Location> (1,857)
f10

>  <Rack Number> (1,857)
L1700-18

$$$$
deltarasin.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,858)
1858

>  <Formula> (1,858)
C40H37N5O

>  <MolWeight> (1,858)
603.75468

>  <Item Name> (1,858)
Deltarasin

>  <Catalog Number> (1,858)
S7224

>  <Synonyms> (1,858)
N/A

>  <Target> (1,858)
PDE

>  <Form> (1,858)
Free Base

>  <URL> (1,858)
http://www.selleckchem.com/products/deltarasin.html

>  <CAS Number> (1,858)
1440898-61-2

>  <Plate Location> (1,858)
b5

>  <Rack Number> (1,858)
L1700-20

$$$$
 Optovin.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,859)
1859

>  <Formula> (1,859)
C15H13N3OS2

>  <MolWeight> (1,859)
315.41322

>  <Item Name> (1,859)
Optovin

>  <Catalog Number> (1,859)
S8073

>  <Synonyms> (1,859)
N/A

>  <Target> (1,859)
Others

>  <Form> (1,859)
Free Base

>  <URL> (1,859)
http://www.selleckchem.com/products/optovin.html

>  <CAS Number> (1,859)
348575-88-2

>  <Plate Location> (1,859)
c7

>  <Rack Number> (1,859)
L1700-22

$$$$
Meclofenamate sodium.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,860)
1860

>  <Formula> (1,860)
C14H10Cl2NNaO2

>  <MolWeight> (1,860)
318.13047

>  <Item Name> (1,860)
Meclofenamate sodium

>  <Catalog Number> (1,860)
S4295

>  <Synonyms> (1,860)
N/A

>  <Target> (1,860)
COX

>  <Form> (1,860)
Free Base

>  <URL> (1,860)
http://www.selleckchem.com/products/meclofenamate-sodium.html

>  <CAS Number> (1,860)
6385-02-0

>  <Plate Location> (1,860)
b11

>  <Rack Number> (1,860)
L1700-18

$$$$
Mefloquine hydrochloride.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,861)
1861

>  <Formula> (1,861)
C17H17ClF6N2O

>  <MolWeight> (1,861)
414.7730992

>  <Item Name> (1,861)
Mefloquine HCl

>  <Catalog Number> (1,861)
S4420

>  <Synonyms> (1,861)
N/A

>  <Target> (1,861)
Others

>  <Form> (1,861)
Salt

>  <URL> (1,861)
http://www.selleckchem.com/products/mefloquine-hcl.html

>  <CAS Number> (1,861)
51773-92-3

>  <Plate Location> (1,861)
e11

>  <Rack Number> (1,861)
L1700-18

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,862)
1862

>  <Formula> (1,862)
C20H18FN5O2

>  <MolWeight> (1,862)
379.3876232

>  <Item Name> (1,862)
HSP990 (NVP-HSP990)

>  <Catalog Number> (1,862)
S7097

>  <Synonyms> (1,862)
N/A

>  <Target> (1,862)
HSP (e.g. HSP90)

>  <Form> (1,862)
Free Base

>  <URL> (1,862)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

>  <CAS Number> (1,862)
934343-74-5

>  <Plate Location> (1,862)
a8

>  <Rack Number> (1,862)
L1700-19

$$$$
3-deazaneplanocin A (DZNeP).cdx
csChFnd80/04011511122D

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 11  9  1  1  0  0  0
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M  END
>  <Mol_ID> (1,863)
1863

>  <Formula> (1,863)
C12H15ClN4O3

>  <MolWeight> (1,863)
298.7255

>  <Item Name> (1,863)
3-deazaneplanocin A (DZNeP) HCl

>  <Catalog Number> (1,863)
S7120

>  <Synonyms> (1,863)
N/A

>  <Target> (1,863)
Histone Methyltransferase

>  <Form> (1,863)
Free Base

>  <URL> (1,863)
http://www.selleckchem.com/products/3-deazaneplanocin-a-dznep.html

>  <CAS Number> (1,863)
120964-45-6

>  <Plate Location> (1,863)
e9

>  <Rack Number> (1,863)
L1700-19

$$$$
Aliskiren hemifumarate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,864)
1864

>  <Formula> (1,864)
C64H110N6O16

>  <MolWeight> (1,864)
1219.5888

>  <Item Name> (1,864)
Aliskiren Hemifumarate

>  <Catalog Number> (1,864)
S2199

>  <Synonyms> (1,864)
N/A

>  <Target> (1,864)
RAAS

>  <Form> (1,864)
Free Base

>  <URL> (1,864)
http://www.selleckchem.com/products/Aliskiren-hemifumarate.html

>  <CAS Number> (1,864)
173334-58-2

>  <Plate Location> (1,864)
g4

>  <Rack Number> (1,864)
L1700-09

$$$$
Bepotastine besilate.cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,865)
1865

>  <Formula> (1,865)
C27H31ClN2O6S

>  <MolWeight> (1,865)
547.06284

>  <Item Name> (1,865)
Bepotastine Besilate

>  <Catalog Number> (1,865)
S3037

>  <Synonyms> (1,865)
N/A

>  <Target> (1,865)
Histamine Receptor

>  <Form> (1,865)
Free Base

>  <URL> (1,865)
http://www.selleckchem.com/products/bepotastine-besilate.html

>  <CAS Number> (1,865)
190786-44-8

>  <Plate Location> (1,865)
a4

>  <Rack Number> (1,865)
L1700-15

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,866)
1866

>  <Formula> (1,866)
C24H25ClFN5O3

>  <MolWeight> (1,866)
485.9384032

>  <Item Name> (1,866)
Afatinib (BIBW2992)

>  <Catalog Number> (1,866)
S1011

>  <Synonyms> (1,866)
N/A

>  <Target> (1,866)
EGFR

>  <Form> (1,866)
Free Base

>  <URL> (1,866)
http://www.selleckchem.com/products/BIBW2992.html

>  <CAS Number> (1,866)
439081-18-2

>  <Plate Location> (1,866)
b2

>  <Rack Number> (1,866)
L1700-01

$$$$
Caspofungin acetate.cdx
csChFnd80/04011511122D

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$$$$
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csChFnd80/04011511122D

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364622-82-2

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d1

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$$$$
Fesoterodine fumarate.cdx
csChFnd80/04011511122D

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286930-03-8

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$$$$
Fosaprepitant dimeglumine.cdx
csChFnd80/04011511122D

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   16.1985    7.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4110    7.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.0483    7.8073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   19.6163    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> (1,870)
1870

>  <Formula> (1,870)
C37H56F7N6O16P

>  <MolWeight> (1,870)
1004.8337234

>  <Item Name> (1,870)
Fosaprepitant dimeglumine salt

>  <Catalog Number> (1,870)
S3038

>  <Synonyms> (1,870)
MK-0517

>  <Target> (1,870)
Others

>  <Form> (1,870)
Salt

>  <URL> (1,870)
http://www.selleckchem.com/products/fosaprepitant.html

>  <CAS Number> (1,870)
265121-04-8

>  <Plate Location> (1,870)
b4

>  <Rack Number> (1,870)
L1700-15

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/04011511122D

 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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 10  5  1  0  0  0  0
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  9 28  1  1  0  0  0
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M  END
>  <Mol_ID> (1,871)
1871

>  <Formula> (1,871)
C22H26ClF2NO4

>  <MolWeight> (1,871)
441.8959464

>  <Item Name> (1,871)
Nebivolol

>  <Catalog Number> (1,871)
S1549

>  <Synonyms> (1,871)
N/A

>  <Target> (1,871)
Adrenergic Receptor

>  <Form> (1,871)
Free Base

>  <URL> (1,871)
http://www.selleckchem.com/products/Nebivolol(Bystolic).html

>  <CAS Number> (1,871)
152520-56-4

>  <Plate Location> (1,871)
b4

>  <Rack Number> (1,871)
L1700-05

$$$$
Ouabain Octahydrate.cdx
csChFnd80/04011511122D

 51 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,872)
1872

>  <Formula> (1,872)
C29H60O20

>  <MolWeight> (1,872)
728.7747

>  <Item Name> (1,872)
Ouabain

>  <Catalog Number> (1,872)
S4016

>  <Synonyms> (1,872)
N/A

>  <Target> (1,872)
Sodium Channel

>  <Form> (1,872)
Free Base

>  <URL> (1,872)
http://www.selleckchem.com/products/ouabain.html

>  <CAS Number> (1,872)
630-60-4

>  <Plate Location> (1,872)
g5

>  <Rack Number> (1,872)
L1700-16

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/04011511122D

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M  END
>  <Mol_ID> (1,873)
1873

>  <Formula> (1,873)
C44H69NO12

>  <MolWeight> (1,873)
804.01816

>  <Item Name> (1,873)
Tacrolimus (FK506)

>  <Catalog Number> (1,873)
S5003

>  <Synonyms> (1,873)
FR900506

>  <Target> (1,873)
Others

>  <Form> (1,873)
Free Base

>  <URL> (1,873)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

>  <CAS Number> (1,873)
104987-11-3

>  <Plate Location> (1,873)
a2

>  <Rack Number> (1,873)
L1700-19

$$$$
Rosuvastatin calcium.cdx
csChFnd80/04011511122D

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>  <Mol_ID> (1,874)
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>  <Formula> (1,874)
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Rosuvastatin Calcium

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>  <Target> (1,874)
HMG-CoA Reductase

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>  <URL> (1,874)
http://www.selleckchem.com/products/Rosuvastatin-calcium(Crestor).html

>  <CAS Number> (1,874)
147098-20-2

>  <Plate Location> (1,874)
f2

>  <Rack Number> (1,874)
L1700-09

$$$$
R-Ruxolitinib.cdx
csChFnd80/04011511122D

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1875

>  <Formula> (1,875)
C17H18N6

>  <MolWeight> (1,875)
306.36502

>  <Item Name> (1,875)
Ruxolitinib (INCB018424)

>  <Catalog Number> (1,875)
S1378

>  <Synonyms> (1,875)
N/A

>  <Target> (1,875)
JAK

>  <Form> (1,875)
Free Base

>  <URL> (1,875)
http://www.selleckchem.com/products/INCB18424.html

>  <CAS Number> (1,875)
941678-49-5

>  <Plate Location> (1,875)
g1

>  <Rack Number> (1,875)
L1700-04

$$$$
Temsirolimus.cdx
csChFnd80/04011511122D

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>  <Formula> (1,876)
C56H87NO16

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>  <Item Name> (1,876)
Temsirolimus (CCI-779, NSC 683864)

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>  <Synonyms> (1,876)
N/A

>  <Target> (1,876)
mTOR

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Free Base

>  <URL> (1,876)
http://www.selleckchem.com/products/Temsirolimus.html

>  <CAS Number> (1,876)
162635-04-3

>  <Plate Location> (1,876)
d5

>  <Rack Number> (1,876)
L1700-01

$$$$
Vinblastine.cdx
csChFnd80/04011511122D

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Kinesin

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>  <CAS Number> (1,881)
1095253-39-6

>  <Plate Location> (1,881)
f1

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L1700-21

$$$$
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Bcl-2

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>  <CAS Number> (1,882)
1228108-65-3

>  <Plate Location> (1,882)
h6

>  <Rack Number> (1,882)
L1700-22

$$$$
Lomitapide.cdx
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d1

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L1700-22

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GNE-9605.cdx
csChFnd80/04011511122D

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1536200-31-3

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f2

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L1700-21

$$$$
filgotinib.cdx
csChFnd80/04011511122D

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1206161-97-8

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c1

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L1700-22

$$$$
Mupirocin .cdx
csChFnd80/04011511122D

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

>  <CAS Number> (1,889)
12650-69-0

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c11

>  <Rack Number> (1,889)
L1700-18

$$$$
PD128907.cdx
csChFnd80/04011511122D

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PD128907

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Dopamine Receptor

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http://www.selleckchem.com/products/PD-128907.html

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112960-16-4

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e2

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L1700-09

$$$$
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csChFnd80/04011511122D

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C25H22N2O2

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N/A

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>  <Form> (1,891)
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>  <URL> (1,891)
http://www.selleckchem.com/products/gsk650394.html

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890842-28-1

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c4

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L1700-20

$$$$
Tubacin.cdx
csChFnd80/04011511122D

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>  <Formula> (1,892)
C41H43N3O7S

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Tubacin

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S2239

>  <Synonyms> (1,892)
N/A

>  <Target> (1,892)
HDAC

>  <Form> (1,892)
Free Base

>  <URL> (1,892)
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>  <CAS Number> (1,892)
537049-40-4

>  <Plate Location> (1,892)
a8

>  <Rack Number> (1,892)
L1700-09

$$$$
(R)-Nepicastat HCL(RS-25560-198).cdx
csChFnd80/04011511122D

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1893

>  <Formula> (1,893)
C14H16ClF2N3S

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(R)-Nepicastat HCl

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>  <Synonyms> (1,893)
RS-25560-198 HCl

>  <Target> (1,893)
Hydroxylase

>  <Form> (1,893)
Salt

>  <URL> (1,893)
http://www.selleckchem.com/products/r-nepicastat-hcl.html

>  <CAS Number> (1,893)
195881-94-8

>  <Plate Location> (1,893)
f1

>  <Rack Number> (1,893)
L1700-19

$$$$
VS-5584 (SB2343).cdx
csChFnd80/04011511122D

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JNK

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   11.2870   -9.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0744   -7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -11.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6496  -11.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8197   -7.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2149   -7.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4245   -7.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8197   -8.4088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9124   -8.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3076   -8.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7269   -8.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3318   -8.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8197   -5.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6114   -4.9209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0279   -4.9209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2149   -9.4302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4245   -9.4302    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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 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
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 26 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 30 37  2  0  0  0  0
 32 38  2  0  0  0  0
M  END
>  <Mol_ID> (1,902)
1902

>  <Formula> (1,902)
C27H37N3O8

>  <MolWeight> (1,902)
531.59798

>  <Item Name> (1,902)
Pentoxyverine Citrate

>  <Catalog Number> (1,902)
S4143

>  <Synonyms> (1,902)
Carbetapentane Citrate

>  <Target> (1,902)
Others

>  <Form> (1,902)
Free Base

>  <URL> (1,902)
http://www.selleckchem.com/products/pentoxyverine-carbetapentane-citrate.html

>  <CAS Number> (1,902)
23142-01-0

>  <Plate Location> (1,902)
f6

>  <Rack Number> (1,902)
L1700-17

$$$$
