untitled.cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (1)
10

>  <Formula> (1)
C19H25BN4O4

>  <MolWeight> (1)
384.2372

>  <Item Name> (1)
Bortezomib (Velcade)

>  <Catalog Number> (1)
S1013

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

>  <Target> (1)
Proteasome

>  <Form> (1)
Free Base

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

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

$$$$
Danoprevir (RG7227,ITMN-191,RO5190591).cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (2)
130

>  <Formula> (2)
C35H46FN5O9S

>  <MolWeight> (2)
731.8312432

>  <Item Name> (2)
Danoprevir (ITMN-191)

>  <Catalog Number> (2)
S1183

>  <Synonyms> (2)
RG7227, ITMN-191, RO5190591

>  <Target> (2)
Proteasome, HCV Protease

>  <Form> (2)
Free Base

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

>  <CAS Number> (2)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

$$$$
Ritonavir.cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (3)
131

>  <Formula> (3)
C37H48N6O5S2

>  <MolWeight> (3)
720.94422

>  <Item Name> (3)
Ritonavir

>  <Catalog Number> (3)
S1185

>  <Synonyms> (3)
Norvir, Norvir Softgel

>  <Target> (3)
HIV Protease

>  <Form> (3)
Free Base

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

>  <CAS Number> (3)
155213-67-5

$$$$
BMS-708163.cdx
csChFnd80/10101813102D

 34 36  0  0  0  0  0  0  0  0999 V2000
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Gamma-secretase

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http://www.selleckchem.com/products/BMS-708163.html

>  <CAS Number> (4)
1146699-66-2

$$$$
Celastrol.cdx
csChFnd80/10101813102D

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Proteasome

>  <Form> (5)
Free Base

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

>  <CAS Number> (5)
34157-83-0

$$$$
Glimepiride.cdx
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267

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Glimepiride

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S1344

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Amaryl, Glista OD

>  <Target> (6)
DPP-4

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Free Base

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

>  <CAS Number> (6)
93479-97-1

$$$$
LOPINAVIR (lopinavir).cdx
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287

>  <Formula> (7)
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628.80082

>  <Item Name> (7)
Lopinavir (ABT-378)

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S1380

>  <Synonyms> (7)
ABT-378

>  <Target> (7)
HIV Protease

>  <Form> (7)
Free Base

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

>  <CAS Number> (7)
192725-17-0

$$$$
Nafamostat mesylate.cdx
csChFnd80/10101813102D

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>  <Mol_ID> (8)
293

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C21H25N5O8S2

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>  <Item Name> (8)
Nafamostat mesylate

>  <Catalog Number> (8)
S1386

>  <Synonyms> (8)
Futhan, FUT-175

>  <Target> (8)
Proteasome

>  <Form> (8)
Dimesylate

>  <URL> (8)
http://www.selleckchem.com/products/Nafamostat-mesylate.html

>  <CAS Number> (8)
82956-11-4

$$$$
VX-222.cdx
csChFnd80/10101813102D

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>  <Mol_ID> (9)
356

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445.6147

>  <Item Name> (9)
Lomibuvir (VX-222, VCH-222)

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S1480

>  <Synonyms> (9)
N/A

>  <Target> (9)
HCV Protease

>  <Form> (9)
Free Base

>  <URL> (9)
http://www.selleckchem.com/products/VX-222.html

>  <CAS Number> (9)
1026785-55-6

$$$$
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csChFnd80/10101813102D

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Proteasome

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1201902-80-8

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Proteasome

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N/A

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Gamma-secretase

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Free Base

>  <URL> (18)
http://www.selleckchem.com/products/yo-01027.html

>  <CAS Number> (18)
209984-56-5

$$$$
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S3031 

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N/A 

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DPP-4

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Free Base

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http://www.selleckchem.com/products/linagliptin-bi-1356.html

>  <CAS Number> (19)
668270-12-0

$$$$
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C23H28N4O2

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PAC-1

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S2738

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Procaspase activating compound 1

>  <Target> (20)
Caspase

>  <Form> (20)
Free Base

>  <URL> (20)
http://www.selleckchem.com/products/pac-1.html

>  <CAS Number> (20)
315183-21-2

$$$$
vildagliptin.cdx
csChFnd80/10101813102D

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>  <Mol_ID> (21)
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>  <Formula> (21)
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>  <MolWeight> (21)
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>  <Item Name> (21)
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Galvus 

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DPP-4

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/vildagliptin-laf-237.html

>  <CAS Number> (21)
274901-16-5

$$$$
LY2811376.cdx
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>  <Mol_ID> (22)
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LY 2811376 

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5-alpha Reductase

>  <Form> (22)
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>  <URL> (22)
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1194044-20-6

$$$$
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1284

>  <Formula> (23)
C40H57N5O7

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Carfilzomib (PR-171)

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S2853

>  <Synonyms> (23)
N/A 

>  <Target> (23)
Proteasome

>  <Form> (23)
Free Base

>  <URL> (23)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

>  <CAS Number> (23)
868540-17-4

$$$$
Camostat mesilate.cdx
csChFnd80/10101813102D

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>  <Mol_ID> (24)
1337

>  <Formula> (24)
C21H26N4O8S

>  <MolWeight> (24)
494.51814

>  <Item Name> (24)
Camostat Mesilate (FOY-305)

>  <Catalog Number> (24)
S2874

>  <Synonyms> (24)
N/A

>  <Target> (24)
HCV Protease

>  <Form> (24)
Mesilate

>  <URL> (24)
http://www.selleckchem.com/products/camostat-mesilate-foy-305.html

>  <CAS Number> (24)
59721-29-8

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/10101813102D

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>  <Mol_ID> (25)
1348

>  <Formula> (25)
C18H21N5O2

>  <MolWeight> (25)
339.39164

>  <Item Name> (25)
Alogliptin

>  <Catalog Number> (25)
S5365

>  <CAS Number> (25)
850649-61-5

$$$$
Gabexate mesylate.cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (26)
1466

>  <Formula> (26)
C17H27N3O7S

>  <MolWeight> (26)
417.47718

>  <Item Name> (26)
Gabexate mesylate

>  <Catalog Number> (26)
S2101

>  <Synonyms> (26)
N/A

>  <Target> (26)
Proteasome

>  <Form> (26)
Mesylate

>  <URL> (26)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (26)
56974-61-9

$$$$
aspirin.cdx
csChFnd80/10101813102D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (27)
1497

>  <Formula> (27)
C9H8O4

>  <MolWeight> (27)
180.15742

>  <Item Name> (27)
Aspirin (Acetylsalicylic acid)

>  <Catalog Number> (27)
S3017

>  <Synonyms> (27)
N/A

>  <Target> (27)
COX

>  <Form> (27)
Free Base

>  <URL> (27)
http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

>  <CAS Number> (27)
50-78-2

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (28)
1501

>  <Formula> (28)
C25H35N3O6S

>  <MolWeight> (28)
505.6269

>  <Item Name> (28)
Amprenavir (Agenerase)

>  <Catalog Number> (28)
S1639

>  <Synonyms> (28)
Agenerase

>  <Target> (28)
HIV Protease

>  <Form> (28)
Free Base

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

>  <CAS Number> (28)
161814-49-9

$$$$
PREZISTA (darunavir ethanolate).cdx
csChFnd80/10101813102D

 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (29)
1502

>  <Formula> (29)
C29H43N3O8S

>  <MolWeight> (29)
593.73202

>  <Item Name> (29)
Darunavir Ethanolate (Prezista)

>  <Catalog Number> (29)
S1620

>  <Synonyms> (29)
Prezista, TMC114

>  <Target> (29)
HIV Protease

>  <Form> (29)
Ethanolate

>  <URL> (29)
http://www.selleckchem.com/products/Darunavir-Ethanolate(Prezista).html

>  <CAS Number> (29)
635728-49-3

$$$$
Apoptosis Activator II.cdx
csChFnd80/10101813102D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (30)
1512

>  <Formula> (30)
C15H9Cl2NO2

>  <MolWeight> (30)
306.14346

>  <Item Name> (30)
Apoptosis Activator 2

>  <Catalog Number> (30)
S2927

>  <Synonyms> (30)
N/A

>  <Target> (30)
Caspase

>  <Form> (30)
Free Base

>  <URL> (30)
http://www.selleckchem.com/products/apoptosis-activator-2.html

>  <CAS Number> (30)
79183-19-0

$$$$
Oprozomib (ONX 0912).cdx
csChFnd80/10101813102D

 37 39  0  0  0  0  0  0  0  0999 V2000
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$$$$
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$$$$
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$$$$
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M  END
>  <Mol_ID> (39)
2086

>  <Formula> (39)
C36H53N7O6

>  <MolWeight> (39)
679.84932

>  <Item Name> (39)
Telaprevir (VX-950)

>  <Catalog Number> (39)
S1538

>  <Synonyms> (39)
LY-570310, MP-424

>  <Target> (39)
HCV Protease

>  <Form> (39)
Free Base

>  <URL> (39)
http://www.selleckchem.com/products/Telaprevir(VX-950).html

>  <CAS Number> (39)
402957-28-2

$$$$
E-64d(Aloxistatin,Loxistatin£©.cdx
csChFnd80/10101813102D

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.2540    2.7992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8499    2.7992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   15.9533    0.0001    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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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (40)
2147

>  <Formula> (40)
C17H30N2O5

>  <MolWeight> (40)
342.4305

>  <Item Name> (40)
E-64d(Aloxistatin,Loxistatin£©

>  <Catalog Number> (40)
S7393 

>  <Synonyms> (40)
E-64d

>  <Target> (40)
Cysteine Protease

>  <Form> (40)
Free Base

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

>  <CAS Number> (40)
88321-09-9

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/10101813102D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (41)
2184

>  <Formula> (41)
C15H26N2O5

>  <MolWeight> (41)
314.37734

>  <Item Name> (41)
Loxistatin Acid (E-64C)

>  <Catalog Number> (41)
S7392

>  <Synonyms> (41)
NSC 694279, EP 475

>  <Target> (41)
Cysteine Protease

>  <Form> (41)
Free Base

>  <URL> (41)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

>  <CAS Number> (41)
76684-89-4

$$$$
Trelagliptin.cdx
csChFnd80/10101813102D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  8  9  3  0  0  0  0
M  END
>  <Mol_ID> (42)
2187

>  <Formula> (42)
C18H20FN5O2

>  <MolWeight> (42)
357.3821032

>  <Item Name> (42)
Trelagliptin

>  <Catalog Number> (42)
S7513

>  <Synonyms> (42)
SYR-472

>  <Target> (42)
DPP-4

>  <Form> (42)
Free Base

>  <URL> (42)
http://www.selleckchem.com/products/trelagliptin.html

>  <CAS Number> (42)
865759-25-7

$$$$
Z-FA-FMK.cdx
csChFnd80/10101813102D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (43)
2204

>  <Formula> (43)
C21H23FN2O4

>  <MolWeight> (43)
386.4167232

>  <Item Name> (43)
Z-FA-FMK

>  <Catalog Number> (43)
S7391

>  <Synonyms> (43)
N/A

>  <Target> (43)
Cysteine Protease

>  <Form> (43)
Free Base

>  <URL> (43)
http://www.selleckchem.com/products/z-fa-fmk.html

>  <CAS Number> (43)
197855-65-5

$$$$
AZD9668.cdx
csChFnd80/10101813102D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (44)
2217

>  <Formula> (44)
C24H20F3N5O4S

>  <MolWeight> (44)
531.5069096

>  <Item Name> (44)
Alvelestat (AZD9668£©

>  <Catalog Number> (44)
S7218

>  <Synonyms> (44)
N/A

>  <Target> (44)
Serine Protease

>  <Form> (44)
Free Base

>  <URL> (44)
http://www.selleckchem.com/products/avelestat-azd9668.html

>  <CAS Number> (44)
848141-11-7

$$$$
PI-1840.cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (45)
2237

>  <Formula> (45)
C22H26N4O3

>  <MolWeight> (45)
394.46684

>  <Item Name> (45)
PI-1840

>  <Catalog Number> (45)
S7462

>  <Synonyms> (45)
N/A

>  <Target> (45)
Proteasome

>  <Form> (45)
Free Base

>  <URL> (45)
http://www.selleckchem.com/products/pi-1840.html

>  <CAS Number> (45)
1401223-22-0

$$$$
AEBSF hydrochloride .cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (46)
2239

>  <Formula> (46)
C8H11ClFNO2S

>  <MolWeight> (46)
239.6948432

>  <Item Name> (46)
AEBSF HCl

>  <Catalog Number> (46)
S7378

>  <Synonyms> (46)
N/A

>  <Target> (46)
Serine Protease

>  <Form> (46)
Hydrochloride

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

>  <CAS Number> (46)
30827-99-7

$$$$
Leupeptin hemisulfate .cdx
csChFnd80/10101813102D

 32 30  0  0  0  0  0  0  0  0999 V2000
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A   32
1/2H2SO4
M  END
>  <Mol_ID> (47)
2249

>  <Formula> (47)
C20H38N6O4R

>  <MolWeight> (47)
426.55352

>  <Item Name> (47)
Leupeptin Hemisulfate

>  <Catalog Number> (47)
S7380

>  <Synonyms> (47)
N/A

>  <Target> (47)
Serine Protease

>  <Form> (47)
Free Base

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

>  <CAS Number> (47)
103476-89-7

$$$$
Nelfinavir mesylate .cdx
csChFnd80/10101813102D

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HIV Protease

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http://www.selleckchem.com/products/nelfinavir-mesylate.html

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159989-65-8

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MMP

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Free Base

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http://www.selleckchem.com/products/sb-3ct.html

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292605-14-2

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Cysteine Protease

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http://www.selleckchem.com/products/pd-151746.html

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179461-52-0

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Calpain inhibitor-1

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Cysteine Protease

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Oxalate

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http://www.selleckchem.com/products/mg-101-alln.html

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110044-82-1

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M  END
>  <Mol_ID> (52)
2423

>  <Formula> (52)
C31H40ClN7O8S2

>  <MolWeight> (52)
738.2744

>  <Item Name> (52)
Edoxaban tosylate Monohydrate

>  <Catalog Number> (52)
S5708

>  <Form> (52)
tosylate hydrate

>  <CAS Number> (52)
1229194-11-9

$$$$
Calpeptin.cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (53)
2447

>  <Formula> (53)
C20H30N2O4

>  <MolWeight> (53)
362.4632

>  <Item Name> (53)
Calpeptin

>  <Catalog Number> (53)
S7396

>  <Synonyms> (53)
N/A

>  <Target> (53)
Cysteine Protease

>  <Form> (53)
Free Base

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

>  <CAS Number> (53)
117591-20-5

$$$$
Marimastat (BB-25.cdx
csChFnd80/10101813102D

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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (54)
2491

>  <Formula> (54)
C15H29N3O5

>  <MolWeight> (54)
331.40786

>  <Item Name> (54)
Marimastat (BB-2516)

>  <Catalog Number> (54)
S7156

>  <Synonyms> (54)
N/A

>  <Target> (54)
MMP

>  <Form> (54)
Free Base

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

>  <CAS Number> (54)
154039-60-8

$$$$
S4002.cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (55)
2534

>  <Formula> (55)
C16H20F6N5O6P

>  <MolWeight> (55)
523.3240802

>  <Item Name> (55)
Sitagliptin phosphate monohydrate

>  <Catalog Number> (55)
S4002

>  <Synonyms> (55)
MK-0431

>  <Target> (55)
DPP-4

>  <Form> (55)
phosphate &monohydrate

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

>  <CAS Number> (55)
654671-77-9

$$$$
VR23.cdx
csChFnd80/10101813102D

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 22 25  1  0  0  0  0
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 18 31  2  0  0  0  0
 18 32  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (56)
2588

>  <Formula> (56)
C19H16ClN5O6S

>  <MolWeight> (56)
477.87824

>  <Item Name> (56)
VR23

>  <Catalog Number> (56)
S7933

>  <Synonyms> (56)
N/A

>  <Target> (56)
Proteasome

>  <Form> (56)
Free Base

>  <URL> (56)
http://www.selleckchem.com/products/vr23.html

>  <CAS Number> (56)
1624602-30-7

$$$$
S4666 Sivelestat sodium.cdx
csChFnd80/10101813102D

 35 31  0  0  0  0  0  0  0  0999 V2000
   15.2799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9799    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9799    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1799    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1799    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3799    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2799    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1799    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1799    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4740    3.5762    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.3823    1.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3823    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
M  END
>  <Mol_ID> (57)
2902

>  <Formula> (57)
C20H29N2NaO11S

>  <MolWeight> (57)
528.50583

>  <Item Name> (57)
Sivelestat sodium tetrahydrate

>  <Catalog Number> (57)
S4666

>  <Synonyms> (57)
Sivelestat sodium, ONO5046-Na, Sodium sivelestat, EI546 sodium, LY544349 sodium

>  <Target> (57)
Serine Protease

>  <Form> (57)
Sodium salt tetrahydrate

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

>  <CAS Number> (57)
201677-61-4

$$$$
S4697 Saxagliptin hydrate.cdx
csChFnd80/10101813102D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.7000    7.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9124    5.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    6.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    7.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    8.1015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    4.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    6.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6461    3.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.3015    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5455    5.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    5.3015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5455    7.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9001    3.9092    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2695    3.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9695    4.8305    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0327    5.8709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4021    6.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2440    4.2631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6016    7.1978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8633    2.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
 10  6  1  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 20 19  1  0  0  0  0
 18 21  1  6  0  0  0
 19 22  1  6  0  0  0
 16 23  1  1  0  0  0
 23 24  3  0  0  0  0
 12 25  1  1  0  0  0
  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (58)
2933

>  <Formula> (58)
C18H27N3O3

>  <MolWeight> (58)
333.42528

>  <Item Name> (58)
Saxagliptin hydrate 

>  <Catalog Number> (58)
S4697

>  <Synonyms> (58)
BMS-477118 hydrate, Onglyza hydrate, BMS 477118 hydrate, BMS477118 hydrate

>  <Target> (58)
DPP-4

>  <Form> (58)
hydrate

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

>  <CAS Number> (58)
945667-22-1

$$$$
S4636 Teneligliptin hydrobromide.cdx
csChFnd80/10101813102D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.7000    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1899    8.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    9.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685   10.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2281    9.7246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227   12.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3229    4.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2569    3.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1905    4.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6881    1.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5828    3.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1522    5.1843    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1118    6.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8994    5.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2729    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
A   31
2.5HBr
M  END
>  <Mol_ID> (59)
2934

>  <Formula> (59)
C22H30N6ORS

>  <MolWeight> (59)
426.5782

>  <Item Name> (59)
Teneligliptin hydrobromide

>  <Catalog Number> (59)
S4636

>  <Synonyms> (59)
Teneligliptin hydrobromide anhydrous

>  <Target> (59)
DPP-4

>  <Form> (59)
hydrobromide

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

>  <CAS Number> (59)
906093-29-6

$$$$
Atazanavir.cdx
csChFnd80/10101813102D

 51 53  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1950    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6198    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5392    8.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559    7.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9725    8.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9725    9.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (60)
2938

>  <Formula> (60)
C38H52N6O7

>  <MolWeight> (60)
704.85548

>  <Item Name> (60)
Atazanavir

>  <Catalog Number> (60)
S4662

>  <Synonyms> (60)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (60)
HIV Protease

>  <Form> (60)
Free Base

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

>  <CAS Number> (60)
198904-31-3

$$$$
Epoxomicin.cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (61)
2953

>  <Formula> (61)
C28H50N4O7

>  <MolWeight> (61)
554.7192

>  <Item Name> (61)
Epoxomicin (BU-4061T)

>  <Catalog Number> (61)
S7038

>  <Synonyms> (61)
N/A

>  <Target> (61)
Proteasome

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/epoxomicin-bu-4061t.html

>  <CAS Number> (61)
134381-21-8

$$$$
>  <Mol_ID> (62)
2961

>  <Item Name> (62)
Aprotinin

>  <Catalog Number> (62)
S7377

>  <Synonyms> (62)
N/A

>  <Target> (62)
Serine Protease

>  <URL> (62)
http://www.selleckchem.com/products/aprotinin.html

>  <CAS Number> (62)
9087-70-1

$$$$
CA-074 methyl ester.cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (63)
3066

>  <Formula> (63)
C19H31N3O6

>  <MolWeight> (63)
397.46594

>  <Item Name> (63)
CA-074 methyl ester (CA-074 Me)

>  <Catalog Number> (63)
S7420

>  <Synonyms> (63)
Cathepsin B Inhibitor IV

>  <Target> (63)
Cysteine Protease

>  <Form> (63)
Free Base

>  <URL> (63)
http://www.selleckchem.com/products/ca-074-methyl-ester.html

>  <CAS Number> (63)
147859-80-1

$$$$
LY3039478.cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (64)
3104

>  <Formula> (64)
C22H23F3N4O4

>  <MolWeight> (64)
464.4376296

>  <Item Name> (64)
LY3039478

>  <Catalog Number> (64)
S7169

>  <Synonyms> (64)
N/A

>  <Target> (64)
Gamma-secretase

>  <Form> (64)
Free Base

>  <URL> (64)
http://www.selleckchem.com/products/ly3039478.html

>  <CAS Number> (64)
1421438-81-4

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/10101813102D

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>  <Mol_ID> (65)
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>  <Formula> (65)
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>  <MolWeight> (65)
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>  <Item Name> (65)
UK-371804 HCl

>  <Catalog Number> (65)
S8457

>  <Synonyms> (65)
UK-371804 HCl

>  <Target> (65)
Serine Protease

>  <Form> (65)
hydrochloride

>  <URL> (65)
http://www.selleckchem.com/products/uk-371804-hcl.html

>  <CAS Number> (65)
256476-36-5

$$$$
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csChFnd80/10101813102D

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>  <Mol_ID> (66)
3350

>  <Formula> (66)
C38H50N6O9S

>  <MolWeight> (66)
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>  <Item Name> (66)
Grazoprevir

>  <Catalog Number> (66)
S3728

>  <Synonyms> (66)
MK5172

>  <Target> (66)
Hepatitis C Virus NS3/4A Protease

>  <Form> (66)
free base

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

>  <CAS Number> (66)
1350514-68-9

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/10101813102D

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>  <Mol_ID> (67)
3415

>  <Formula> (67)
C27H45N5O5

>  <MolWeight> (67)
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>  <Item Name> (67)
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>  <Catalog Number> (67)
S3733

>  <Synonyms> (67)
N/A

>  <Target> (67)
hepatitis C virus (HCV) protease

>  <Form> (67)
free base

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

>  <CAS Number> (67)
394730-60-0

$$$$
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csChFnd80/10101813102D

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M  END
>  <Mol_ID> (68)
3560

>  <Formula> (68)
C16H30O

>  <MolWeight> (68)
238.4088

>  <Item Name> (68)
Muscone

>  <Catalog Number> (68)
S3871

>  <Synonyms> (68)
3-Methylcyclopentadecanone, Methylexaltone

>  <Target> (68)
Immunology & Inflammation

>  <Form> (68)
free base

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

>  <CAS Number> (68)
541-91-3

$$$$
S3850 Glucosamine sulfate.cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (69)
3670

>  <Formula> (69)
C6H15NO9S

>  <MolWeight> (69)
277.2496

>  <Item Name> (69)
Glucosamine sulfate

>  <Catalog Number> (69)
S3850

>  <Synonyms> (69)
D-Glucosaminesulfate, D-Glucosamine sulphate

>  <Target> (69)
Others

>  <Form> (69)
sulfate

>  <URL> (69)
http://www.selleckchem.com/products/glucosamine-sulfate.html

>  <CAS Number> (69)
29031-19-4

$$$$
S5015 Simeprevir.cdx
csChFnd80/10101813102D

 55 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (70)
3835

>  <Formula> (70)
C38H47N5O7S2

>  <MolWeight> (70)
749.93908

>  <Item Name> (70)
TMC-435, TMC-435350

>  <Catalog Number> (70)
S5015

>  <Synonyms> (70)
TMC-435, TMC-435350

>  <Target> (70)
HCV NS3/4A protease

>  <Form> (70)
free base

>  <URL> (70)
http://www.selleckchem.com/products/simeprevir.html

>  <CAS Number> (70)
923604-59-5

$$$$
S5079 Sitagliptin.cdx
csChFnd80/10101813102D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (71)
3906

>  <Formula> (71)
C16H15F6N5O

>  <MolWeight> (71)
407.3136192

>  <Item Name> (71)
Sitagliptin

>  <Catalog Number> (71)
S5079

>  <Synonyms> (71)
MK-0431

>  <Target> (71)
DPP-4

>  <Form> (71)
free base

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

>  <CAS Number> (71)
486460-32-6

$$$$
S5403 Ombitasvir(ABT-267).cdx
csChFnd80/10101813102D

 65 70  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (72)
4065

>  <Formula> (72)
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>  <MolWeight> (72)
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>  <Item Name> (72)
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>  <Catalog Number> (72)
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>  <Synonyms> (72)
N/A

>  <Target> (72)
HCV Protease

>  <Form> (72)
free base

>  <URL> (72)
http://selleckchem.com/products/ombitasvir-abt-267.html

>  <CAS Number> (72)
1258226-87-7

$$$$
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csChFnd80/10101813102D

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>  <Mol_ID> (73)
4066

>  <Formula> (73)
C40H43N7O7S

>  <MolWeight> (73)
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>  <Item Name> (73)
Paritaprevir(ABT-450)

>  <Catalog Number> (73)
S5404

>  <Synonyms> (73)
N/A

>  <Target> (73)
HCV Protease

>  <Form> (73)
free base

>  <URL> (73)
http://selleckchem.com/products/paritaprevir-abt-450.html

>  <CAS Number> (73)
1216941-48-8

$$$$
S5402 Dasabuvir(ABT-333).cdx
csChFnd80/10101813102D

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>  <Mol_ID> (74)
4105

>  <Formula> (74)
C26H27N3O5S

>  <MolWeight> (74)
493.57468

>  <Catalog Number> (74)
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>  <Synonyms> (74)
N/A

>  <Target> (74)
HCV Protease

>  <Form> (74)
free base

>  <URL> (74)
http://selleckchem.com/products/dasabuvir-abt-333.html

>  <CAS Number> (74)
1132935-63-7

$$$$
S5250 Darunavir.cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (75)
4133

>  <Formula> (75)
C27H37N3O7S

>  <MolWeight> (75)
547.66358

>  <Item Name> (75)
Darunavir

>  <Catalog Number> (75)
S5250

>  <Synonyms> (75)
TMC114

>  <Target> (75)
HIV Protease

>  <Form> (75)
free base

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

>  <CAS Number> (75)
206361-99-1

$$$$
S5388 Betrixaban.cdx
csChFnd80/10101813102D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (76)
4431

>  <Formula> (76)
C23H22ClN5O3

>  <MolWeight> (76)
451.90548

>  <Item Name> (76)
Betrixaban

>  <Catalog Number> (76)
S5388

>  <Synonyms> (76)
PRT054021

>  <Target> (76)
factor Xa(fXa)

>  <Form> (76)
free base

>  <URL> (76)
http://selleckchem.com/products/.html

>  <CAS Number> (76)
330942-05-7

$$$$
S5389 Betrixaban maleate.cdx
csChFnd80/10101813102D

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M  END
>  <Mol_ID> (77)
4432

>  <Formula> (77)
C27H26ClN5O7

>  <MolWeight> (77)
567.97764

>  <Item Name> (77)
Betrixaban maleate

>  <Catalog Number> (77)
S5389

>  <Synonyms> (77)
N/A

>  <Target> (77)
factor Xa?(fXa)

>  <Form> (77)
maleate

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

>  <CAS Number> (77)
936539-80-9

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/10101813102D

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  1  8  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 14 19  1  0  0  0  0
  9 15  1  0  0  0  0
  3  9  1  0  0  0  0
 23 25  1  1  0  0  0
M  END
>  <Mol_ID> (78)
4507

>  <Formula> (78)
C18H21N5O2

>  <MolWeight> (78)
339.39164

>  <Item Name> (78)
Alogliptin£¨SYR-322£©

>  <Catalog Number> (78)
S2868

>  <Synonyms> (78)
N/A

>  <Target> (78)
DPP-4

>  <Form> (78)
Free Base

>  <URL> (78)
http://www.selleckchem.com/products/alogliptin-syr-322.html

>  <CAS Number> (78)
850649-61-5

$$$$
