untitled.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (1)
59

>  <Formula> (1)
C19H14Cl2N2O3S

>  <MolWeight> (1)
421.29706

>  <Item Name> (1)
Vismodegib (GDC-0449)

>  <Catalog Number> (1)
S1082

>  <Synonyms> (1)
N/A 

>  <Target> (1)
Hedgehog, P-gp

>  <Form> (1)
Free Base

>  <URL> (1)
http://www.selleckchem.com/products/GDC-0449.html

>  <CAS Number> (1)
879085-55-9

$$$$
Brivanib.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (2)
60

>  <Formula> (2)
C19H19FN4O3

>  <MolWeight> (2)
370.3775632

>  <Item Name> (2)
Brivanib (BMS-540215)

>  <Catalog Number> (2)
S1084

>  <Synonyms> (2)
N/A 

>  <Target> (2)
VEGFR, FGFR

>  <Form> (2)
Free Base

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

>  <CAS Number> (2)
649735-46-6

$$$$
Aprepitant.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (3)
137

>  <Formula> (3)
C23H21F7N4O3

>  <MolWeight> (3)
534.4266624

>  <Item Name> (3)
Aprepitant (MK-0869)

>  <Catalog Number> (3)
S1189

>  <Synonyms> (3)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (3)
Substance P

>  <Form> (3)
Free Base

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

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

$$$$
Fulvestrant.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (4)
139

>  <Formula> (4)
C32H47F5O3S

>  <MolWeight> (4)
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>  <Item Name> (4)
Fulvestrant (Faslodex)

>  <Catalog Number> (4)
S1191

>  <Synonyms> (4)
N/A 

>  <Target> (4)
Estrogen/progestogen Receptor

>  <Form> (4)
Free Base

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

>  <CAS Number> (4)
129453-61-8

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/07261814072D

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>  <Mol_ID> (5)
164

>  <Formula> (5)
C28H28ClNO4S

>  <MolWeight> (5)
510.04422

>  <Item Name> (5)
Evista (Raloxifene Hydrochloride)

>  <Catalog Number> (5)
S1227

>  <Synonyms> (5)
Raloxifene Hydrochloride, keoxifene

>  <Target> (5)
Estrogen/progestogen Receptor

>  <Form> (5)
Hydrochloride

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

>  <CAS Number> (5)
82640-04-8

$$$$
Agomelatine.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (6)
171

>  <Formula> (6)
C15H17NO2

>  <MolWeight> (6)
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>  <Item Name> (6)
Agomelatine

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S1243

>  <Synonyms> (6)
Valdoxan, Melitor, Thymanax

>  <Target> (6)
5-HT Receptor

>  <Form> (6)
Free Base

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

>  <CAS Number> (6)
138112-76-2

$$$$
Dienogest.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (7)
176

>  <Formula> (7)
C20H25NO2

>  <MolWeight> (7)
311.418

>  <Item Name> (7)
Dienogest

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S1251

>  <Synonyms> (7)
Natazia

>  <Target> (7)
Estrogen/progestogen Receptor

>  <Form> (7)
Free Base

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

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

$$$$
Ramelteon.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (8)
180

>  <Formula> (8)
C16H21NO2

>  <MolWeight> (8)
259.34344

>  <Item Name> (8)
Ramelteon

>  <Catalog Number> (8)
S1259

>  <Synonyms> (8)
TAK-375

>  <Target> (8)
MT Receptor

>  <Form> (8)
Free Base

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

>  <CAS Number> (8)
196597-26-9

$$$$
Cinacalcet Hydrochloride.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (9)
183

>  <Formula> (9)
C22H23ClF3N

>  <MolWeight> (9)
393.8729296

>  <Item Name> (9)
AMG-073 HCl (Cinacalcet hydrochloride)

>  <Catalog Number> (9)
S1260

>  <Synonyms> (9)
Mimpara, Sensipar

>  <Target> (9)
CaSR

>  <Form> (9)
Hydrochloride

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

>  <CAS Number> (9)
364782-34-3

$$$$
Amisulpride.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (10)
192

>  <Formula> (10)
C17H27N3O4S

>  <MolWeight> (10)
369.47898

>  <Item Name> (10)
Amisulpride

>  <Catalog Number> (10)
S1280

>  <Synonyms> (10)
Solian

>  <Target> (10)
Dopamine Receptor

>  <Form> (10)
Free Base

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

>  <CAS Number> (10)
71675-85-9

$$$$
Aniracetam.cdx
csChFnd80/07261814072D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 15  8  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (11)
193

>  <Formula> (11)
C12H13NO3

>  <MolWeight> (11)
219.23652

>  <Item Name> (11)
Aniracetam

>  <Catalog Number> (11)
S1281

>  <Synonyms> (11)
Draganon, Sarpul, Ampamet

>  <Target> (11)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (11)
Free Base

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

>  <CAS Number> (11)
72432-10-1

$$$$
Asenapine maleate.cdx
csChFnd80/07261814072D

 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
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M  END
>  <Mol_ID> (12)
194

>  <Formula> (12)
C21H20ClNO5

>  <MolWeight> (12)
401.8402

>  <Item Name> (12)
Asenapine maleate

>  <Catalog Number> (12)
S1283

>  <Synonyms> (12)
Saphris

>  <Target> (12)
Adrenergic Receptor, 5-HT Receptor

>  <Form> (12)
Maleate

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

>  <CAS Number> (12)
65576-45-6, 135883-08-8 (Maleic acid)

$$$$
Budesonide.cdx
csChFnd80/07261814072D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (13)
197

>  <Formula> (13)
C25H34O6

>  <MolWeight> (13)
430.53386

>  <Item Name> (13)
Budesonide

>  <Catalog Number> (13)
S1286

>  <Synonyms> (13)
N/A

>  <Target> (13)
Glucocorticoid Receptor

>  <Form> (13)
Free Base

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

>  <CAS Number> (13)
51333-22-3

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (14)
201

>  <Formula> (14)
C21H27Cl3N2O3

>  <MolWeight> (14)
461.80968

>  <Item Name> (14)
Cetirizine Dihydrochloride

>  <Catalog Number> (14)
S1291

>  <Synonyms> (14)
Zyrtec, Reactine

>  <Target> (14)
Histamine Receptor

>  <Form> (14)
Dihydrochloride

>  <URL> (14)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (14)
83881-52-1

$$$$
DIETHYLSTILBESTROL (diethylstilbestrol).cdx
csChFnd80/07261814072D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (15)
204

>  <Formula> (15)
C18H20O2

>  <MolWeight> (15)
268.3502

>  <Item Name> (15)
Diethylstilbestrol

>  <Catalog Number> (15)
S1859

>  <Synonyms> (15)
Stilbestrol

>  <Target> (15)
Estrogen/progestogen Receptor

>  <Form> (15)
Free Base

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

>  <CAS Number> (15)
56-53-1

$$$$
Diphenhydramine hydrochloride.cdx
csChFnd80/07261814072D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (16)
206

>  <Formula> (16)
C17H22ClNO

>  <MolWeight> (16)
291.81568

>  <Item Name> (16)
Diphenhydramine HCl (Benadryl)

>  <Catalog Number> (16)
S1866

>  <Synonyms> (16)
Dimedrol

>  <Target> (16)
Histamine Receptor

>  <Form> (16)
Hydrochloride

>  <URL> (16)
http://www.selleckchem.com/products/Diphenhydramine-hydrochloride(Benadryl).html

>  <CAS Number> (16)
147-24-0 

$$$$
Dapoxetine hydrochloride.cdx
csChFnd80/07261814072D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (17)
207

>  <Formula> (17)
C21H24ClNO

>  <MolWeight> (17)
341.87436

>  <Item Name> (17)
Dapoxetine hydrochloride (Priligy)

>  <Catalog Number> (17)
S1869

>  <Synonyms> (17)
Priligy, LY-210448 hydrochloride

>  <Target> (17)
5-HT Receptor

>  <Form> (17)
Hydrochloride

>  <URL> (17)
http://www.selleckchem.com/products/Dapoxetine-hydrochloride(Priligy).html

>  <CAS Number> (17)
129938-20-1

$$$$
Deflazacort.cdx
csChFnd80/07261814072D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (18)
211

>  <Formula> (18)
C25H31NO6

>  <MolWeight> (18)
441.51674

>  <Item Name> (18)
Deflazacort (Calcort)

>  <Catalog Number> (18)
S1888

>  <Synonyms> (18)
Cortax, Decortil, Deflanil

>  <Target> (18)
Glucocorticoid Receptor

>  <Form> (18)
Free Base

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

>  <CAS Number> (18)
14484-47-0

$$$$
Nizatidine.cdx
csChFnd80/07261814072D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (19)
212

>  <Formula> (19)
C12H21N5O2S2

>  <MolWeight> (19)
331.45744

>  <Item Name> (19)
Nizatidine

>  <Catalog Number> (19)
S1890

>  <Synonyms> (19)
Axid

>  <Target> (19)
Histamine Receptor

>  <Form> (19)
Free Base

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

>  <CAS Number> (19)
76963-41-2

$$$$
VALSARTAN (valsartan).cdx
csChFnd80/07261814072D

 33 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
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M  END
>  <Mol_ID> (20)
217

>  <Formula> (20)
C24H29N5O3

>  <MolWeight> (20)
435.51876

>  <Item Name> (20)
Valsartan (Diovan)

>  <Catalog Number> (20)
S1894

>  <Synonyms> (20)
N/A 

>  <Target> (20)
RAAS

>  <Form> (20)
Free Base

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

>  <CAS Number> (20)
137862-53-4

$$$$
Tropisetron hydrochloride.cdx
csChFnd80/07261814072D

 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
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  1  2  2  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (21)
221

>  <Formula> (21)
C17H21ClN2O2

>  <MolWeight> (21)
320.81384

>  <Item Name> (21)
Tropisetron HCl

>  <Catalog Number> (21)
S1898

>  <Synonyms> (21)
Navoban

>  <Target> (21)
5-HT Receptor

>  <Form> (21)
Hydrochloride

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

>  <CAS Number> (21)
105826-92-4 

$$$$
GANTRISIN (sulfisoxazole).cdx
csChFnd80/07261814072D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (22)
229

>  <Formula> (22)
C11H13N3O3S

>  <MolWeight> (22)
267.30422

>  <Item Name> (22)
Sulfisoxazole

>  <Catalog Number> (22)
S1916

>  <Synonyms> (22)
Sulfafurazole, Gantrisin Pediatric

>  <Target> (22)
Antifection

>  <Form> (22)
Free Base

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

>  <CAS Number> (22)
127-69-5

$$$$
HALDOL (haloperidol).cdx
csChFnd80/07261814072D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (23)
231

>  <Formula> (23)
C21H23ClFNO2

>  <MolWeight> (23)
375.8642232

>  <Item Name> (23)
Haloperidol (Haldol)

>  <Catalog Number> (23)
S1920

>  <Synonyms> (23)
Aloperidin, Bioperidolo, Brotopon, Dozic, Duraperidol, Einalon S

>  <Target> (23)
Dopamine Receptor

>  <Form> (23)
Free Base

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

>  <CAS Number> (23)
52-86-8

$$$$
Irsogladine.cdx
csChFnd80/07261814072D

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233

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C9H7Cl2N5

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Irsogladine

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S1929

>  <Synonyms> (24)
N/A

>  <Target> (24)
AChR,PDE

>  <Form> (24)
Free Base

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

>  <CAS Number> (24)
57381-26-7

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/07261814072D

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>  <Mol_ID> (25)
234

>  <Formula> (25)
C21H27FO6

>  <MolWeight> (25)
394.4338832

>  <Item Name> (25)
Triamcinolone (Aristocort)

>  <Catalog Number> (25)
S1933

>  <Synonyms> (25)
N/A

>  <Target> (25)
Glucocorticoid Receptor

>  <Form> (25)
Free Base

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

>  <CAS Number> (25)
124-94-7

$$$$
Medetomidine hcl.cdx
csChFnd80/07261814072D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (26)
236

>  <Formula> (26)
C13H17ClN2

>  <MolWeight> (26)
236.74048

>  <Item Name> (26)
Medetomidine HCl

>  <Catalog Number> (26)
S3060

>  <Synonyms> (26)
N/A

>  <Target> (26)
Adrenergic Receptor

>  <Form> (26)
HCl

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

>  <CAS Number> (26)
86347-15-1

$$$$
Megestrol Acetate.cdx
csChFnd80/07261814072D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (27)
245

>  <Formula> (27)
C24H32O4

>  <MolWeight> (27)
384.50848

>  <Item Name> (27)
Megestrol Acetate

>  <Catalog Number> (27)
S1304

>  <Synonyms> (27)
Megace, Megace ES

>  <Target> (27)
Androgen Receptor

>  <Form> (27)
Free Base

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

>  <CAS Number> (27)
595-33-5

$$$$
ki16425.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (28)
250

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C23H23ClN2O5S

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Ki16425

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S1315

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N/A

>  <Target> (28)
LPA Receptor

>  <Form> (28)
Free Base

>  <URL> (28)
http://www.selleckchem.com/products/Ki16425.html

>  <CAS Number> (28)
355025-24-0 

$$$$
Doxazosin mesylate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (29)
255

>  <Formula> (29)
C24H29N5O8S

>  <MolWeight> (29)
547.58076

>  <Item Name> (29)
Doxazosin mesylate

>  <Catalog Number> (29)
S1324

>  <Synonyms> (29)
Cardura, Carduran 

>  <Target> (29)
Adrenergic Receptor

>  <Form> (29)
Mesylate

>  <URL> (29)
http://www.selleckchem.com/products/Doxazosin-mesylate.html

>  <CAS Number> (29)
77883-43-3

$$$$
Etomidate.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (30)
258

>  <Formula> (30)
C14H16N2O2

>  <MolWeight> (30)
244.28904

>  <Item Name> (30)
Etomidate

>  <Catalog Number> (30)
S1329

>  <Synonyms> (30)
Amidate

>  <Target> (30)
GABA Receptor

>  <Form> (30)
Free Base

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

>  <CAS Number> (30)
33125-97-2

$$$$
Flumazenil.cdx
csChFnd80/07261814072D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (31)
260

>  <Formula> (31)
C15H14FN3O3

>  <MolWeight> (31)
303.2883632

>  <Item Name> (31)
Flumazenil

>  <Catalog Number> (31)
S1332

>  <Synonyms> (31)
Flumazepil, Ro 15-1788, Anexate, Lanexat, Mazicon, Roma

>  <Target> (31)
GABA Receptor

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/Flumazenil.html

>  <CAS Number> (31)
78755-81-4

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (32)
261

>  <Formula> (32)
C17H19ClF3NO

>  <MolWeight> (32)
345.7870696

>  <Item Name> (32)
Fluoxetine  HCl

>  <Catalog Number> (32)
S1333

>  <Synonyms> (32)
Prozac, Sarafem

>  <Target> (32)
5-HT Receptor

>  <Form> (32)
Hydrochloride

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

>  <CAS Number> (32)
56296-78-7

$$$$
Gabapentin hcl.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (33)
263

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C9H18ClNO2

>  <MolWeight> (33)
207.69772

>  <Item Name> (33)
Gabapentin Hydrochloride

>  <Catalog Number> (33)
S1338

>  <Synonyms> (33)
Gabarone, Neurontin

>  <Target> (33)
GABA Receptor

>  <Form> (33)
Hydrochloride

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

>  <CAS Number> (33)
60142-95-2

$$$$
Galanthamine hydrobromide.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (34)
264

>  <Formula> (34)
C17H22BrNO3

>  <MolWeight> (34)
368.26548

>  <Item Name> (34)
Galanthamine hydrobromide

>  <Catalog Number> (34)
S1339

>  <Synonyms> (34)
Reminyl

>  <Target> (34)
AChR
mAChRs

>  <Form> (34)
Hydrobromide

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

>  <CAS Number> (34)
1953-04-4

$$$$
Ginkgolide B.cdx
csChFnd80/07261814072D

 32 37  0  0  0  0  0  0  0  0999 V2000
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 14  1  1  0  0  0  0
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M  END
>  <Mol_ID> (35)
267

>  <Formula> (35)
C20H24O10

>  <MolWeight> (35)
424.39856

>  <Item Name> (35)
Ginkgolide B

>  <Catalog Number> (35)
S1343

>  <Synonyms> (35)
BN 52021 

>  <Target> (35)
PAFR

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/Ginkgolide-B.html

>  <CAS Number> (35)
15291-77-7

$$$$
Granisetron Hydrochloride.cdx
csChFnd80/07261814072D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (36)
269

>  <Formula> (36)
C18H25ClN4O

>  <MolWeight> (36)
348.8703

>  <Item Name> (36)
Granisetron HCl

>  <Catalog Number> (36)
S1345

>  <Synonyms> (36)
Kytril

>  <Target> (36)
5-HT Receptor

>  <Form> (36)
Hydrochloride

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

>  <CAS Number> (36)
107007-99-8

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/07261814072D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  0  0  0  0
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 17  9  1  0  0  0  0
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M  END
>  <Mol_ID> (37)
274

>  <Formula> (37)
C22H23ClN2O2

>  <MolWeight> (37)
382.88322

>  <Item Name> (37)
Loratadine

>  <Catalog Number> (37)
S1358

>  <Synonyms> (37)
Alavert, Claritin

>  <Target> (37)
Histamine Receptor

>  <Form> (37)
Free Base

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

>  <CAS Number> (37)
79794-75-5

$$$$
Gestodene.cdx
csChFnd80/07261814072D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (38)
286

>  <Formula> (38)
C21H26O2

>  <MolWeight> (38)
310.42994

>  <Item Name> (38)
Gestodene

>  <Catalog Number> (38)
S1376

>  <Synonyms> (38)
N/A

>  <Target> (38)
Estrogen/progestogen Receptor

>  <Form> (38)
Free Base

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

>  <CAS Number> (38)
60282-87-3

$$$$
Drospirenone.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (39)
287

>  <Formula> (39)
C24H30O3

>  <MolWeight> (39)
366.4932

>  <Item Name> (39)
Drospirenone

>  <Catalog Number> (39)
S1377

>  <Synonyms> (39)
Angeliq

>  <Target> (39)
Estrogen/progestogen Receptor

>  <Form> (39)
Free Base

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

>  <CAS Number> (39)
67392-87-4

$$$$
Mianserin hydrochloride.cdx
csChFnd80/07261814072D

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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (40)
291

>  <Formula> (40)
C18H21ClN2

>  <MolWeight> (40)
300.82574

>  <Item Name> (40)
Mianserin HCl

>  <Catalog Number> (40)
S1382

>  <Synonyms> (40)
ORG GB-94 HCl

>  <Target> (40)
Histamine Receptor(HT receptor)

>  <Form> (40)
Hydrochloride

>  <URL> (40)
http://www.selleckchem.com/products/Mianserin-hydrochloride.html

>  <CAS Number> (40)
21535-47-7

$$$$
Mosapride citrate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (41)
294

>  <Formula> (41)
C27H33ClFN3O10

>  <MolWeight> (41)
614.0164232

>  <Item Name> (41)
Mosapride citrate

>  <Catalog Number> (41)
S1385

>  <Synonyms> (41)
TAK-370, AS-4370, Gasmot

>  <Target> (41)
5-HT Receptor

>  <Form> (41)
Citrate

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

>  <CAS Number> (41)
112885-42-4

$$$$
Naftopidil.cdx
csChFnd80/07261814072D

 31 32  0  0  0  0  0  0  0  0999 V2000
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  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
 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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 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 15  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
 26 27  2  0  0  0  0
 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> (42)
296

>  <Formula> (42)
C24H30Cl2N2O3

>  <MolWeight> (42)
465.4126

>  <Item Name> (42)
Naftopidil Dihydrochloride

>  <Catalog Number> (42)
S1387

>  <Synonyms> (42)
Flivas, KT-611, Avishot 

>  <Target> (42)
Adrenergic Receptor

>  <Form> (42)
Dihydrochloride

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

>  <CAS Number> (42)
57149-08-3

$$$$
Pizotifen malate.cdx
csChFnd80/07261814072D

 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
    5.4541    7.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5019    8.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1058    8.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3171    7.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7298    6.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.4801    6.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8352    7.8884    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1373    4.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.5033    2.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3986    3.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2259    3.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2259    2.5533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0177    4.6460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4383    4.6484    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.6466    3.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8548    4.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8548    6.0436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0630    3.9509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4383    6.0436    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  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
 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
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 30  1  0  0  0  0
 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> (43)
300

>  <Formula> (43)
C23H27NO5S

>  <MolWeight> (43)
429.52918

>  <Item Name> (43)
Pizotifen malate

>  <Catalog Number> (43)
S1394

>  <Synonyms> (43)
BC-105

>  <Target> (43)
5-HT Receptor

>  <Form> (43)
Malate

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

>  <CAS Number> (43)
5189-11-7

$$$$
Rocuronium bromide.cdx
csChFnd80/07261814072D

 43 47  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.8000    0.0000 C   0  0  2  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
    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  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    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
    8.4828    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0268    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8497    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0268    5.3326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2448    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.4579    6.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8411    6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 H   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
    2.4249    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    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
    9.6953    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5243    7.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9555    9.0231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1597    7.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0677    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3992    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3992    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0677    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6114    2.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3713    1.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7379    0.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5368    6.5177    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
 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
 16 18  1  1  0  0  0
 17 19  1  1  0  0  0
 12 20  1  1  0  0  0
  9 21  1  1  0  0  0
  5 22  1  1  0  0  0
  1 23  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
  2 29  1  6  0  0  0
  4 30  1  6  0  0  0
 10 31  1  6  0  0  0
 11 32  1  6  0  0  0
 19 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 18 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 18  1  0  0  0  0
 18 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
>  <Mol_ID> (44)
302

>  <Formula> (44)
C32H53BrN2O4

>  <MolWeight> (44)
609.67822

>  <Item Name> (44)
Rocuronium bromide

>  <Catalog Number> (44)
S1397

>  <Synonyms> (44)
Zemuron, Esmeron

>  <Target> (44)
AChR

>  <Form> (44)
Bromide

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

>  <CAS Number> (44)
119302-91-9

$$$$
Alfuzosin HCl.cdx
csChFnd80/07261814072D

 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
    2.4207    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.3521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.4472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.2545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.2545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.2545    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4786    1.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    5.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0903    1.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4884    1.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9901    3.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9021    4.0170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3887    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
  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
 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
 16 23  1  0  0  0  0
 21 24  2  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
 27 28  1  0  0  0  0
 28 22  1  0  0  0  0
M  END
>  <Mol_ID> (45)
312

>  <Formula> (45)
C19H28ClN5O4

>  <MolWeight> (45)
425.90972

>  <Item Name> (45)
Alfuzosin hydrochloride (Uroxatral)

>  <Catalog Number> (45)
S1409

>  <Synonyms> (45)
Uroxatral

>  <Target> (45)
Adrenergic Receptor

>  <Form> (45)
Hydrochloride

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

>  <CAS Number> (45)
81403-68-1

$$$$
Clopidogrel bisulfate.cdx
csChFnd80/07261814072D

 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
    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  2  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
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    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
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    9.4206    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0495    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4392    4.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    4.1665    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2392    4.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    5.5665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    2.7665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  7 18  1  1  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 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> (46)
314

>  <Formula> (46)
C16H18ClNO6S2

>  <MolWeight> (46)
419.90022

>  <Item Name> (46)
Clopidogrel (Plavix)

>  <Catalog Number> (46)
S1415

>  <Synonyms> (46)
Iscover 

>  <Target> (46)
P2 Receptor

>  <Form> (46)
Sulfate

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

>  <CAS Number> (46)
120202-66-6

$$$$

csChFnd80/07261814072D

 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
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    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> (47)
323

>  <Formula> (47)
C18H27N3O6S

>  <MolWeight> (47)
413.48848

>  <Item Name> (47)
Sumatriptan succinate

>  <Catalog Number> (47)
S1432

>  <Synonyms> (47)
Imigran, mitrex, Imitrex, Suminat, Sumitrex

>  <Target> (47)
5-HT Receptor

>  <Form> (47)
Succinate

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

>  <CAS Number> (47)
103628-48-4

$$$$
Tianeptine sodium salt.cdx
csChFnd80/07261814072D

 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
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    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> (48)
324

>  <Formula> (48)
C21H24ClN2NaO4S

>  <MolWeight> (48)
458.93403

>  <Item Name> (48)
Tianeptine sodium

>  <Catalog Number> (48)
S1436

>  <Synonyms> (48)
Stablon, Coaxil, Tatinol

>  <Target> (48)
5-HT Receptor

>  <Form> (48)
Sodium Salt

>  <URL> (48)
http://www.selleckchem.com/products/Tianeptine-sodium-salt.html

>  <CAS Number> (48)
30123-17-2

$$$$
Topiramate.cdx
csChFnd80/07261814072D

 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
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   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> (49)
325

>  <Formula> (49)
C12H21NO8S

>  <MolWeight> (49)
339.36204

>  <Item Name> (49)
Topiramate

>  <Catalog Number> (49)
S1438

>  <Synonyms> (49)
Topamax

>  <Target> (49)
Carbonic Anhydrase

>  <Form> (49)
Free Base

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

>  <CAS Number> (49)
97240-79-4

$$$$
Tranilast.cdx
csChFnd80/07261814072D

 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> (50)
326

>  <Formula> (50)
C18H17NO5

>  <MolWeight> (50)
327.33128

>  <Item Name> (50)
Tranilast (SB 252218)

>  <Catalog Number> (50)
S1439

>  <Synonyms> (50)
Rizaben, MK 341, Tranpro

>  <Target> (50)
Immunology & Inflammation related

>  <Form> (50)
Free Base

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

>  <CAS Number> (50)
53902-12-8
53902-12-8

$$$$
Varenicline tartrate.cdx
csChFnd80/07261814072D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.9597    2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    3.1637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7515    3.1612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9597    1.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3804    2.4661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5886    3.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7968    2.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    4.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3804    1.0709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5886    4.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875    1.5303    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3846    1.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970    1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  6  0  0  0
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 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (51)
327

>  <Formula> (51)
C17H19N3O6

>  <MolWeight> (51)
361.34926

>  <Item Name> (51)
Varenicline tartrate

>  <Catalog Number> (51)
S1440

>  <Synonyms> (51)
Chantix, Champix

>  <Target> (51)
AChR

>  <Form> (51)
Tartrate

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

>  <CAS Number> (51)
375815-87-5

$$$$
Venlafaxine hydrochloride.cdx
csChFnd80/07261814072D

 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
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    3.2240    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2240    4.1951    0.0000 C   0  0  3  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  8  1  0  0  0  0
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 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> (52)
328

>  <Formula> (52)
C17H28ClNO2

>  <MolWeight> (52)
313.86272

>  <Item Name> (52)
Venlafaxine HCl

>  <Catalog Number> (52)
S1441

>  <Synonyms> (52)
Effexor, Efexor 

>  <Target> (52)
5-HT Receptor

>  <Form> (52)
Hydrochloride

>  <URL> (52)
http://www.selleckchem.com/products/Venlafaxine-hydrochloride.html

>  <CAS Number> (52)
99300-78-4

$$$$
Ziprasidone hydrochloride.cdx
csChFnd80/07261814072D

 29 32  0  0  0  0  0  0  0  0999 V2000
   13.3575    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1575    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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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  8  9  2  0  0  0  0
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 26 22  1  0  0  0  0
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 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (53)
331

>  <Formula> (53)
C21H22Cl2N4OS

>  <MolWeight> (53)
449.39658

>  <Item Name> (53)
Ziprasidone hydrochloride

>  <Catalog Number> (53)
S1444

>  <Synonyms> (53)
Geodon, Zeldox

>  <Target> (53)
5-HT Receptor,Dopamine Receptor

>  <Form> (53)
Hydrochloride

>  <URL> (53)
http://www.selleckchem.com/products/Ziprasidone-hydrochloride.html

>  <CAS Number> (53)
122883-93-6

$$$$
untitled.cdx
csChFnd80/07261814072D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (54)
340

>  <Formula> (54)
C19H16N6O4S

>  <MolWeight> (54)
424.43314

>  <Item Name> (54)
Zibotentan (ZD4054)

>  <Catalog Number> (54)
S1456

>  <Synonyms> (54)
N/A

>  <Target> (54)
ETA Receptor

>  <Form> (54)
Free Base

>  <URL> (54)
http://www.selleckchem.com/products/Zibotentan(ZD4054).html

>  <CAS Number> (54)
186497-07-4

$$$$
Iloperidone.cdx
csChFnd80/07261814072D

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.8900    9.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 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 26  2  0  0  0  0
 26 22  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 26  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (55)
361

>  <Formula> (55)
C24H27FN2O4

>  <MolWeight> (55)
426.4805832

>  <Item Name> (55)
Iloperidone (Fanapt)

>  <Catalog Number> (55)
S1483

>  <Synonyms> (55)
Fanapta, Zomaril 

>  <Target> (55)
5-HT Receptor

>  <Form> (55)
Free Base

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

>  <CAS Number> (55)
133454-47-4

$$$$
Naratriptan Hydrochloride.cdx
csChFnd80/07261814072D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0496    3.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    4.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    2.0611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    3.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    4.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2370    5.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6064    5.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0391    7.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1023    8.3162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7329    8.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5334    9.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.5913    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    5.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    3.3789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.2913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3197    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
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  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
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 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (56)
366

>  <Formula> (56)
C17H26ClN3O2S

>  <MolWeight> (56)
371.92524

>  <Item Name> (56)
Naratriptan HCl

>  <Catalog Number> (56)
S1488 

>  <Synonyms> (56)
Amerge, Naramig

>  <Target> (56)
5-HT Receptor

>  <Form> (56)
Hydrochloride

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

>  <CAS Number> (56)
143388-64-1

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/07261814072D

 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
    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  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
    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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6646    5.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7622    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1573    6.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7622    3.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 13 14  1  0  0  0  0
 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> (57)
374

>  <Formula> (57)
C10H14N4O4

>  <MolWeight> (57)
254.24256

>  <Item Name> (57)
Dyphylline (Dilor)

>  <Catalog Number> (57)
S1504

>  <Synonyms> (57)
Neothylline, Lufyllin, diprophylline

>  <Target> (57)
PDE

>  <Form> (57)
Free Base

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

>  <CAS Number> (57)
479-18-5

$$$$
ACEON (perindopril erbumine).cdx
csChFnd80/07261814072D

 33 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1944    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    1.4944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.2871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2578    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7450    1.6226    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6818    2.6630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.1776    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5470    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4838    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0512    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9124    4.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0938    5.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3062    6.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8855    6.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0938    4.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3062    5.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  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
 11 13  1  1  0  0  0
 12 14  1  0  0  0  0
 12 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
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 19 24  1  6  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 17 27  1  1  0  0  0
 16 28  1  1  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (58)
376

>  <Formula> (58)
C23H43N3O5

>  <MolWeight> (58)
441.60462

>  <Item Name> (58)
Perindopril Erbumine (Aceon)

>  <Catalog Number> (58)
S1506

>  <Synonyms> (58)
Perindopril, Coversyl

>  <Target> (58)
RAAS

>  <Form> (58)
t-Butylamine

>  <URL> (58)
http://www.selleckchem.com/products/Perindopril-Erbumine(Aceon).html

>  <CAS Number> (58)
107133-36-8

$$$$
IRBESARTAN (irbesartan).cdx
csChFnd80/07261814072D

 32 36  0  0  0  0  0  0  0  0999 V2000
    6.8479    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8479    4.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0604    3.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2728    4.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2728    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0604    6.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4810    3.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4810    2.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6935    1.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9059    2.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9059    3.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6935    4.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6935    5.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8261    6.8092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3935    8.1406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9935    8.1406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5609    6.8092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6397    6.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4315    5.9887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1525    6.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    5.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9157    4.3053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8625    7.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1463    6.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    4.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3219    3.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0319    2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0687    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7786    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
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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  1  0  0  0  0
 17 13  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 21  1  0  0  0  0
 23 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> (59)
377

>  <Formula> (59)
C25H28N6O

>  <MolWeight> (59)
428.52942

>  <Item Name> (59)
Irbesartan (Avapro)

>  <Catalog Number> (59)
S1507

>  <Synonyms> (59)
BMS-186295, SR-47436                                                                          

>  <Target> (59)
RAAS

>  <Form> (59)
Free Base

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

>  <CAS Number> (59)
138402-11-6

$$$$
Darifenacin hydrobromide.cdx
csChFnd80/07261814072D

 33 36  0  0  0  0  0  0  0  0999 V2000
   11.6251    3.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6903    2.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9339    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125    2.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0474    3.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8037    4.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4627    1.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2320    2.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3573    4.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3814    4.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2029    3.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9592    3.9408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7482    5.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (60)
397

>  <Formula> (60)
C28H31BrN2O2

>  <MolWeight> (60)
507.46194

>  <Item Name> (60)
Darifenacin HBr

>  <Catalog Number> (60)
S3144

>  <Synonyms> (60)
N/A 

>  <Target> (60)
AChR

>  <Form> (60)
HBr

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

>  <CAS Number> (60)
133099-07-7

$$$$
Tripelennamine hydrochloride.cdx
csChFnd80/07261814072D

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  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (61)
398

>  <Formula> (61)
C16H22ClN3

>  <MolWeight> (61)
291.81898

>  <Item Name> (61)
Tripelennamine HCl

>  <Catalog Number> (61)
S3146

>  <Synonyms> (61)
N/A 

>  <Target> (61)
Histamine Receptor

>  <Form> (61)
HCl

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

>  <CAS Number> (61)
154-69-8

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/07261814072D

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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  1  1  1  0  0  0
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M  END
>  <Mol_ID> (62)
405

>  <Formula> (62)
C21H25ClO6

>  <MolWeight> (62)
408.8726

>  <Item Name> (62)
Dapagliflozin

>  <Catalog Number> (62)
S1548

>  <Synonyms> (62)
BMS-512148

>  <Target> (62)
SGLT 

>  <Form> (62)
Free Base

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

>  <CAS Number> (62)
461432-26-8

$$$$
Azelastine hydrochloride.cdx
csChFnd80/07261814072D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (63)
408

>  <Formula> (63)
C22H25Cl2N3O

>  <MolWeight> (63)
418.3594

>  <Item Name> (63)
Azelastine hydrochloride (Astelin)

>  <Catalog Number> (63)
S2552 

>  <Synonyms> (63)
Allergodil, Rhinolast, Astelin, Optilas, Optivar 

>  <Target> (63)
Histamine Receptor

>  <Form> (63)
Hydrochloride

>  <URL> (63)
http://www.selleckchem.com/products/Azelastine-hydrochloride-Astelin.html

>  <CAS Number> (63)
79307-93-0

$$$$
Candesartan.cdx
csChFnd80/07261814072D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  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
 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
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (64)
430

>  <Formula> (64)
C24H20N6O3

>  <MolWeight> (64)
440.454

>  <Item Name> (64)
Candesartan (Atacand)

>  <Catalog Number> (64)
S1578

>  <Synonyms> (64)
Atacand, Blopress, Amias, Ratacand

>  <Target> (64)
RAAS

>  <Form> (64)
Free Base

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

>  <CAS Number> (64)
139481-59-7

$$$$
Altrenogest.cdx
csChFnd80/07261814072D

 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
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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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    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3977    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3312    5.2128    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
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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
  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  2  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  2  0  0  0  0
  9 22  1  1  0  0  0
 11 23  1  6  0  0  0
 12 24  1  1  0  0  0
 17 25  1  1  0  0  0
M  END
>  <Mol_ID> (65)
431

>  <Formula> (65)
C21H26O2

>  <MolWeight> (65)
310.42994

>  <Item Name> (65)
Altrenogest

>  <Catalog Number> (65)
S3167

>  <Synonyms> (65)
N/A 

>  <Target> (65)
Estrogen/progestogen Receptor

>  <Form> (65)
Free Base

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

>  <CAS Number> (65)
850-52-2

$$$$
MAXALT (rizatriptan benzoate).cdx
csChFnd80/07261814072D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.2471    4.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    3.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2471    2.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6471    2.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3471    3.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6471    4.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7165    3.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8628    5.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5839    5.8061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3315    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7533    2.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0801    3.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1169    2.4084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4438    2.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8269    1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9930    5.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9930    4.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2054    3.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4179    4.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4179    5.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2054    6.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2054    2.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4137    1.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9972    1.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (66)
443

>  <Formula> (66)
C22H25N5O2

>  <MolWeight> (66)
391.4662

>  <Item Name> (66)
Rizatriptan Benzoate (Maxalt)

>  <Catalog Number> (66)
S1607

>  <Synonyms> (66)
MK-462, Maxalt

>  <Target> (66)
NULL

>  <Form> (66)
Benzoate

>  <URL> (66)
http://www.selleckchem.com/products/Rizatriptan-Benzoate(Maxalt).html

>  <CAS Number> (66)
145202-66-0

$$$$
MESTINON (pyridostigmine bromide).cdx
csChFnd80/07261814072D

 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> (67)
444

>  <Formula> (67)
C9H13BrN2O2

>  <MolWeight> (67)
261.11572

>  <Item Name> (67)
Pyridostigmine Bromide (Mestinon)

>  <Catalog Number> (67)
S1608

>  <Synonyms> (67)
N/A

>  <Target> (67)
AChR

>  <Form> (67)
Bromide

>  <URL> (67)
http://www.selleckchem.com/products/Pyridostigmine-Bromide(Mestinon).html

>  <CAS Number> (67)
101-26-8

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/07261814072D

 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
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    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
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    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
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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
  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
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 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> (68)
447

>  <Formula> (68)
C29H35NO2

>  <MolWeight> (68)
429.5937

>  <Item Name> (68)
Mifepristone (Mifeprex)

>  <Catalog Number> (68)
S2606

>  <Synonyms> (68)
RU-486, Mifegyne 

>  <Target> (68)
Estrogen/progestogen Receptor

>  <Form> (68)
Free Base

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

>  <CAS Number> (68)
84371-65-3

$$$$
RISPERIDONE (risperidone).cdx
csChFnd80/07261814072D

 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
    6.5907    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5907    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8031    1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3824    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1667    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  1 11  1  0  0  0  0
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M  END
>  <Mol_ID> (69)
449

>  <Formula> (69)
C23H27FN4O2

>  <MolWeight> (69)
410.4844832

>  <Item Name> (69)
Risperidone (Risperdal)

>  <Catalog Number> (69)
S1615

>  <Synonyms> (69)
R 64 766, Risperdal

>  <Target> (69)
5-HT Receptor

>  <Form> (69)
Free Base

>  <URL> (69)
http://www.selleckchem.com/products/Risperidone(Risperdal).html

>  <CAS Number> (69)
106266-06-2

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/07261814072D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    3.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
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  8  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (70)
454

>  <Formula> (70)
C5H9NO3S

>  <MolWeight> (70)
163.19486

>  <Item Name> (70)
Acetylcysteine

>  <Catalog Number> (70)
S1623

>  <Synonyms> (70)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (70)
AChR

>  <Form> (70)
Free Base

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

>  <CAS Number> (70)
616-91-1

$$$$
ALESSE (ethinyl estradiol).cdx
csChFnd80/07261814072D

 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
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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (71)
456

>  <Formula> (71)
C20H24O2

>  <MolWeight> (71)
296.40336

>  <Item Name> (71)
Ethinyl Estradiol

>  <Catalog Number> (71)
S1625

>  <Synonyms> (71)
Ethynylestradiol

>  <Target> (71)
Estrogen/progestogen Receptor

>  <Form> (71)
Free Base

>  <URL> (71)
http://www.selleckchem.com/products/Ethinyl-Estradiol.html

>  <CAS Number> (71)
57-63-6

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/07261814072D

 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
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   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
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 17 12  1  0  0  0  0
  2 18  2  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
 10 24  1  6  0  0  0
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 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
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 23 33  2  0  0  0  0
M  END
>  <Mol_ID> (72)
459

>  <Formula> (72)
C24H31FO6

>  <MolWeight> (72)
434.4977432

>  <Item Name> (72)
Triamcinolone Acetonide

>  <Catalog Number> (72)
S1628

>  <Synonyms> (72)
Azmacort

>  <Target> (72)
Glucocorticoid Receptor

>  <Form> (72)
Free Base

>  <URL> (72)
http://www.selleckchem.com/products/Triamcinolone-Acetonide.html

>  <CAS Number> (72)
76-25-5 

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/07261814072D

 41 45  0  0  0  0  0  0  0  0999 V2000
    9.3726    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
 33 36  2  0  0  0  0
 36 37  1  0  0  0  0
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 39 40  2  0  0  0  0
 40 33  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (73)
463

>  <Formula> (73)
C31H33N3O6S

>  <MolWeight> (73)
575.67522

>  <Item Name> (73)
Zafirlukast (Accolate)

>  <Catalog Number> (73)
S1633

>  <Synonyms> (73)
Accolate, Accoleit, Vanticon

>  <Target> (73)
LTR

>  <Form> (73)
Free Base

>  <URL> (73)
http://www.selleckchem.com/products/Zafirlukast(Accolate).html

>  <CAS Number> (73)
107753-78-6

$$$$
ALDOMET (methyldopa).cdx
csChFnd80/07261814072D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3682    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 10 15  1  6  0  0  0
M  END
>  <Mol_ID> (74)
469

>  <Formula> (74)
C10H13NO4

>  <MolWeight> (74)
211.21452

>  <Item Name> (74)
Methyldopa (Aldomet)

>  <Catalog Number> (74)
S1642

>  <Synonyms> (74)
Aldoril 

>  <Target> (74)
Others

>  <Form> (74)
Free Base

>  <URL> (74)
http://www.selleckchem.com/products/Methyldopa(Aldomet).html

>  <CAS Number> (74)
555-30-6

$$$$
ZOMIG (zolmitriptan).cdx
csChFnd80/07261814072D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2321    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4446    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7760    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7760    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2072    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5718    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0029    5.4764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3676    5.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0694    6.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3243    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  2 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 18 21  2  0  0  0  0
 16 15  1  1  0  0  0
M  END
>  <Mol_ID> (75)
478

>  <Formula> (75)
C16H21N3O2

>  <MolWeight> (75)
287.35684

>  <Item Name> (75)
Zolmitriptan (Zomig)

>  <Catalog Number> (75)
S1649

>  <Synonyms> (75)
Zomig, Zomigon, AscoTopand, Zomigoro 

>  <Target> (75)
5-HT Receptor

>  <Form> (75)
Free Base

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

>  <CAS Number> (75)
139264-17-8

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/07261814072D

 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> (76)
486

>  <Formula> (76)
C18H22O2

>  <MolWeight> (76)
270.36608

>  <Item Name> (76)
Estrone

>  <Catalog Number> (76)
S1665

>  <Synonyms> (76)
Oestrone

>  <Target> (76)
Estrogen/progestogen Receptor

>  <Form> (76)
Free Base

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

>  <CAS Number> (76)
53-16-7 

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/07261814072D

 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
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    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9441    5.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2782    5.8857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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> (77)
488

>  <Formula> (77)
C24H31ClO7

>  <MolWeight> (77)
466.95174

>  <Item Name> (77)
Loteprednol etabonate

>  <Catalog Number> (77)
S1669

>  <Synonyms> (77)
Alrex, Lotemax

>  <Target> (77)
Glucocorticoid Receptor

>  <Form> (77)
Free Base

>  <URL> (77)
http://www.selleckchem.com/products/Loteprednol-etabonate.html

>  <CAS Number> (77)
82034-46-6

$$$$
Pregnenolone.cdx
csChFnd80/07261814072D

 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
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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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    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
M  END
>  <Mol_ID> (78)
490

>  <Formula> (78)
C21H32O2

>  <MolWeight> (78)
316.47758

>  <Item Name> (78)
Pregnenolone

>  <Catalog Number> (78)
S1914

>  <Synonyms> (78)
N/A

>  <Target> (78)
Estrogen/progestogen Receptor

>  <Form> (78)
Free Base

>  <URL> (78)
http://www.selleckchem.com/products/pregnenolone.html

>  <CAS Number> (78)
145-13-1

$$$$
ATROVENT HFA (ipratropium bromide).cdx
csChFnd80/07261814072D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    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
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    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
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    6.3952    2.0951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
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  6 10  1  0  0  0  0
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 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> (79)
496

>  <Formula> (79)
C20H30BrNO3

>  <MolWeight> (79)
412.3611

>  <Item Name> (79)
Ipratropium bromide

>  <Catalog Number> (79)
S1683

>  <Synonyms> (79)
Atrovent, Apovent, Aerovent

>  <Target> (79)
AChR

>  <Form> (79)
Bromide

>  <URL> (79)
http://www.selleckchem.com/products/Ipratropium-bromide.html

>  <CAS Number> (79)
22254-24-6

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/07261814072D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    4.8455    2.8000    0.0000 C   0  0  2  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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   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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  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
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 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> (80)
498

>  <Formula> (80)
C22H28O5

>  <MolWeight> (80)
372.45472

>  <Item Name> (80)
Betapar (Meprednisone)

>  <Catalog Number> (80)
S1689

>  <Synonyms> (80)
Betanisona

>  <Target> (80)
Glucocorticoid Receptor

>  <Form> (80)
Free Base

>  <URL> (80)
http://www.selleckchem.com/products/Betapar(Meprednisone).html

>  <CAS Number> (80)
1247-42-3

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/07261814072D

 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
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    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  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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 11 12  1  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
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 17 29  1  6  0  0  0
M  END
>  <Mol_ID> (81)
504

>  <Formula> (81)
C21H30O5

>  <MolWeight> (81)
362.4599

>  <Item Name> (81)
Hydrocortisone (Cortisol)

>  <Catalog Number> (81)
S1696

>  <Synonyms> (81)
Cortisol

>  <Target> (81)
Glucocorticoid Receptor

>  <Form> (81)
Free Base

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

>  <CAS Number> (81)
50-23-7

$$$$
DESOWEN (desonide).cdx
csChFnd80/07261814072D

 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
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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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    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.6019    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.1186    6.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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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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   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
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    8.2395    5.9849    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
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (82)
506

>  <Formula> (82)
C24H32O6

>  <MolWeight> (82)
416.50728

>  <Item Name> (82)
Desonide

>  <Catalog Number> (82)
S1701

>  <Synonyms> (82)
Locapred, Topifug, Tridesilon

>  <Target> (82)
Glucocorticoid Receptor

>  <Form> (82)
Free Base

>  <URL> (82)
http://www.selleckchem.com/products/Desonide.html

>  <CAS Number> (82)
638-94-8

$$$$
ENDOMETRIN (progesterone).cdx
csChFnd80/07261814072D

 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
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   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
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  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (83)
509

>  <Formula> (83)
C21H30O2

>  <MolWeight> (83)
314.4617

>  <Item Name> (83)
Progesterone (Prometrium)

>  <Catalog Number> (83)
S1705

>  <Synonyms> (83)
Prometrium, Agolutin, Corlutin

>  <Target> (83)
Estrogen/progestogen Receptor

>  <Form> (83)
Free Base

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

>  <CAS Number> (83)
57-83-0

$$$$
estradiol.cdx
csChFnd80/07261814072D

 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
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    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
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  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  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
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
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 17 23  1  1  0  0  0
M  END
>  <Mol_ID> (84)
513

>  <Formula> (84)
C18H24O2

>  <MolWeight> (84)
272.38196

>  <Item Name> (84)
Estradiol

>  <Catalog Number> (84)
S1709

>  <Synonyms> (84)
17¦Â-estradiol, oestradiol, 17¦Â-Oestradiol, ¦Â-Estradiol 

>  <Target> (84)
Estrogen/progestogen Receptor

>  <Form> (84)
Free Base

>  <URL> (84)
http://www.selleckchem.com/products/Estradiol.html

>  <CAS Number> (84)
50-28-2

$$$$
Levonorgestrel.cdx
csChFnd80/07261814072D

 27 30  0  0  0  0  0  0  0  0999 V2000
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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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    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
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   11.3065    5.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  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
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 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 10 23  1  6  0  0  0
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 17 25  1  6  0  0  0
 25 26  3  0  0  0  0
 21 27  1  0  0  0  0
M  END
>  <Mol_ID> (85)
524

>  <Formula> (85)
C21H28O2

>  <MolWeight> (85)
312.44582

>  <Item Name> (85)
Levonorgestrel (Levonelle)

>  <Catalog Number> (85)
S1727

>  <Synonyms> (85)
Levonelle, D-Norgestrel, Levonova

>  <Target> (85)
Estrogen/progestogen Receptor

>  <Form> (85)
Free Base

>  <URL> (85)
http://www.selleckchem.com/products/Levonorgestrel(Levonelle).html

>  <CAS Number> (85)
797-63-7

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/07261814072D

 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
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    0.0000    1.3976    0.0000 O   0  0  0  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
    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3876    6.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 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
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 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> (86)
527

>  <Formula> (86)
C22H30O5

>  <MolWeight> (86)
374.4706

>  <Item Name> (86)
Methylprednisolone

>  <Catalog Number> (86)
S1733

>  <Synonyms> (86)
Medrol, Solu-Medrol, Medrone

>  <Target> (86)
Glucocorticoid Receptor

>  <Form> (86)
Free Base

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

>  <CAS Number> (86)
83-43-2

$$$$
MICARDIS (telmisartan).cdx
csChFnd80/07261814072D

 39 44  0  0  0  0  0  0  0  0999 V2000
    2.4165   11.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    5.1995    1.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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M  END
>  <Mol_ID> (87)
531

>  <Formula> (87)
C33H30N4O2

>  <MolWeight> (87)
514.6169

>  <Item Name> (87)
Telmisartan (Micardis)

>  <Catalog Number> (87)
S1738

>  <Synonyms> (87)
Targit

>  <Target> (87)
RAAS

>  <Form> (87)
Free Base

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

>  <CAS Number> (87)
144701-48-4

$$$$
QUETIAPINE FUMARATE (quetiapine fumarate).cdx
csChFnd80/07261814072D

 62 67  0  0  0  0  0  0  0  0999 V2000
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   11.1020    5.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (88)
539

>  <Formula> (88)
C46H54N6O8S2

>  <MolWeight> (88)
883.08636

>  <Item Name> (88)
Quetiapine fumarate (Seroquel)

>  <Catalog Number> (88)
S1763

>  <Synonyms> (88)
ICI-204636, ZD 5077, ZM 204636, Seroquel XR 

>  <Target> (88)
Dopamine Receptor

>  <Form> (88)
Fumarate

>  <URL> (88)
http://www.selleckchem.com/products/Quetiapine-fumarate(Seroquel).html

>  <CAS Number> (88)
111974-72-2

$$$$
TARACTAN (chlorprothixene).cdx
csChFnd80/07261814072D

 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
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    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
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    6.0580    1.3951    0.0000 N   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
    7.2662    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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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 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> (89)
543

>  <Formula> (89)
C18H18ClNS

>  <MolWeight> (89)
315.86022

>  <Item Name> (89)
Chlorprothixene

>  <Catalog Number> (89)
S1771

>  <Synonyms> (89)
Cloxan, Taractan, Truxal

>  <Target> (89)
Dopamine Receptor

>  <Form> (89)
Free Base

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

>  <CAS Number> (89)
113-59-7

$$$$
RANITIDINE (ranitidine).cdx
csChFnd80/07261814072D

 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
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    3.6289    3.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  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> (90)
557

>  <Formula> (90)
C13H23ClN4O3S

>  <MolWeight> (90)
350.86472

>  <Item Name> (90)
Ranitidine Hydrochloride

>  <Catalog Number> (90)
S1801

>  <Synonyms> (90)
AH19065

>  <Target> (90)
Histamine Receptor antagonist

>  <Form> (90)
Hydrochloride

>  <URL> (90)
http://www.selleckchem.com/products/Ranitidine-hydrochloride(Zantac).html

>  <CAS Number> (90)
66357-59-3

$$$$
CTEP.cdx
csChFnd80/07261814072D

 27 29  0  0  0  0  0  0  0  0999 V2000
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S2861

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>  <Target> (91)
GluR

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Free Base

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

>  <CAS Number> (91)
871362-31-1

$$$$
cimetidine.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (92)
569

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C10H16N6S

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252.33924

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Cimetidine (Tagamet)

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S1845

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Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (92)
NULL

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Free Base

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

>  <CAS Number> (92)
51481-61-9

$$$$
clemastine fumarate.cdx
csChFnd80/07261814072D

 32 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (93)
570

>  <Formula> (93)
C25H30ClNO5

>  <MolWeight> (93)
459.9624

>  <Item Name> (93)
Clemastine Fumarate

>  <Catalog Number> (93)
S1847

>  <Synonyms> (93)
Tavist, Agasten 

>  <Target> (93)
Histamine Receptor

>  <Form> (93)
Fumarate

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

>  <CAS Number> (93)
14976-57-9

$$$$
Daidzein.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (94)
571

>  <Formula> (94)
C15H10O4

>  <MolWeight> (94)
254.2375

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Daidzein

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S1849

>  <Synonyms> (94)
N/A

>  <Target> (94)
Others

>  <Form> (94)
Free Base

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

>  <CAS Number> (94)
486-66-8 

$$$$
LEXXEL (enalapril maleate).cdx
csChFnd80/07261814072D

 35 35  0  0  0  0  0  0  0  0999 V2000
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 24 19  1  0  0  0  0
 21 25  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 28 29  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 31 34  1  0  0  0  0
 28 35  2  0  0  0  0
M  END
>  <Mol_ID> (95)
578

>  <Formula> (95)
C24H32N2O9

>  <MolWeight> (95)
492.51888

>  <Item Name> (95)
Enalapril maleate (Vasotec)

>  <Catalog Number> (95)
S1941

>  <Synonyms> (95)
Glioten, Renitec 

>  <Target> (95)
Opioid Receptor

>  <Form> (95)
Maleate

>  <URL> (95)
http://www.selleckchem.com/products/Enalapril-maleate(Vasotec).html

>  <CAS Number> (95)
76095-16-4

$$$$
Nefiracetam.cdx
csChFnd80/07261814072D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4595    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844    3.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    4.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    5.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    3.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    4.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    5.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    6.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    5.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    2.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17  2  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (96)
584

>  <Formula> (96)
C14H18N2O2

>  <MolWeight> (96)
246.30492

>  <Item Name> (96)
Nefiracetam (Translon)

>  <Catalog Number> (96)
S1969

>  <Synonyms> (96)
DM 9384, Translon, DZL-221

>  <Target> (96)
GABA Receptor

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/Nefiracetam(Translon).html

>  <CAS Number> (96)
77191-36-7

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/07261814072D

 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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 38  1  0  0  0  0
 33 41  1  0  0  0  0
 32 33  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (97)
586

>  <Formula> (97)
C32H37NO8

>  <MolWeight> (97)
563.63808

>  <Item Name> (97)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (97)
S1972

>  <Synonyms> (97)
Istubal

>  <Target> (97)
Estrogen/progestogen Receptor

>  <Form> (97)
Citrate

>  <URL> (97)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (97)
54965-24-1

$$$$
PAMINE (methscopolamine bromide).cdx
csChFnd80/07261814072D

 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
 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 21  1  0  0  0  0
M  END
>  <Mol_ID> (98)
588

>  <Formula> (98)
C18H24BrNO4

>  <MolWeight> (98)
398.29146

>  <Item Name> (98)
Methscopolamine (Pamine)

>  <Catalog Number> (98)
S1978

>  <Synonyms> (98)
N/A 

>  <Target> (98)
AChR

>  <Form> (98)
quaternary-N bromide salt

>  <URL> (98)
http://www.selleckchem.com/products/Methscopolamine-bromide(Pamine).html

>  <CAS Number> (98)
155-41-9

$$$$
Synephrine.cdx
csChFnd80/07261814072D

 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> (99)
606

>  <Formula> (99)
C9H13NO2

>  <MolWeight> (99)
167.20502

>  <Item Name> (99)
Synephrine (Oxedrine)

>  <Catalog Number> (99)
S2362

>  <Synonyms> (99)
Oxedrine, p-Synephrine, Sympatol, Parasympatol, Sympaethamine 

>  <Target> (99)
Androgen Receptor

>  <Form> (99)
Free Base

>  <URL> (99)
http://www.selleckchem.com/products/Synephrine(Oxedrine).html

>  <CAS Number> (99)
94-07-5

$$$$
Pramipexole.cdx
csChFnd80/07261814072D

 17 15  0  0  0  0  0  0  0  0999 V2000
    4.8329    4.2583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8329    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    4.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.9559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.4257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    4.6910    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    3.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4781    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    2.5421    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7037    2.5421    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
  1  7  1  6  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (100)
642

>  <Formula> (100)
C10H21Cl2N3OS

>  <MolWeight> (100)
302.26424

>  <Item Name> (100)
Pramipexole dihydrochloride monohydrate 

>  <Catalog Number> (100)
S2011

>  <Synonyms> (100)
Mirapex 

>  <Target> (100)
Dopamine Receptor

>  <Form> (100)
Dihydrochloride monohydrate

>  <URL> (100)
http://www.selleckchem.com/products/Pramipexole-dihydrochloride-monohydrate.html

>  <CAS Number> (100)
191217-81-9

$$$$
ATACAND (candesartan cilexetil).cdx
csChFnd80/07261814072D

 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
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    7.2620    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    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
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   14.4404    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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
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   18.2803    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1477    3.8122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5803    2.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
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 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
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 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
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 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> (101)
644

>  <Formula> (101)
C33H34N6O6

>  <MolWeight> (101)
610.65966

>  <Item Name> (101)
Candesartan cilexetil (Atacand)

>  <Catalog Number> (101)
S2037

>  <Synonyms> (101)
Atacand, Amias, Blopress, Ratacand, TCV 116, TCY 116 

>  <Target> (101)
RAAS

>  <Form> (101)
Free Base

>  <URL> (101)
http://www.selleckchem.com/products/Candesartan-cilexetil-Atacand.html

>  <CAS Number> (101)
145040-37-5

$$$$
Atropine sulfate monohydrate.cdx
csChFnd80/07261814072D

 52 54  0  0  0  0  0  0  0  0999 V2000
   14.8667    8.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667    8.5264    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.6667    8.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667    9.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667    7.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5599    3.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   13.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7404   13.7361    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0668   12.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0713   14.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7520   12.5772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7565   14.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7175   14.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7364   10.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1151   13.7751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   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
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    4.7175    8.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0569    5.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7364    4.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0962    4.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7764    5.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   12.1286    5.2304    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7864    6.4156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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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 10 13  1  0  0  0  0
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 19 25  1  0  0  0  0
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 26 11  1  6  0  0  0
 22 27  1  1  0  0  0
 19 28  1  1  0  0  0
 23 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
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 30 35  2  0  0  0  0
 33 36  1  0  0  0  0
 32 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 32  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
 42 46  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 42 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 49  1  0  0  0  0
 49 34  1  6  0  0  0
 45 50  1  1  0  0  0
 42 51  1  1  0  0  0
 46 52  1  0  0  0  0
M  END
>  <Mol_ID> (102)
651

>  <Formula> (102)
C34H50N2O11S

>  <MolWeight> (102)
694.8326

>  <Item Name> (102)
Atropine sulfate monohydrate

>  <Catalog Number> (102)
S2130

>  <Synonyms> (102)
Tropine 

>  <Target> (102)
AChR

>  <Form> (102)
Sulfate monohydrate

>  <URL> (102)
http://www.selleckchem.com/products/Atropine-sulfate-monohydrate.html

>  <CAS Number> (102)
5908-99-6

$$$$
Ethynodiol diacetate.cdx
csChFnd80/07261814072D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    4.8903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.6330    5.5903    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  5  1  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  1  1  0  0  0
  5 19  1  1  0  0  0
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 12 21  1  1  0  0  0
 22 23  3  0  0  0  0
 17 22  1  0  0  0  0
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 25 26  2  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 10 31  1  6  0  0  0
 11 32  1  6  0  0  0
M  END
>  <Mol_ID> (103)
660

>  <Formula> (103)
C24H32O4

>  <MolWeight> (103)
384.50848

>  <Item Name> (103)
Ethynodiol diacetate

>  <Catalog Number> (103)
S3160

>  <Synonyms> (103)
N/A 

>  <Target> (103)
Estrogen/progestogen Receptor

>  <Form> (103)
Free Base

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

>  <CAS Number> (103)
297-76-7

$$$$
Atomoxetine hydrochloride.cdx
csChFnd80/07261814072D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
661

>  <Formula> (104)
C17H22ClNO

>  <MolWeight> (104)
291.81568

>  <Item Name> (104)
Atomoxetine HCl

>  <Catalog Number> (104)
S3175

>  <Synonyms> (104)
N/A 

>  <Target> (104)
5-HT Receptor

>  <Form> (104)
hydrochloride

>  <URL> (104)
http://www.selleckchem.com/products/atomoxetine-hydrochloride.html

>  <CAS Number> (104)
82248-59-7

$$$$
BRL54443.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (105)
662

>  <Formula> (105)
C14H18N2O

>  <MolWeight> (105)
230.30552

>  <Item Name> (105)
BRL 54443

>  <Catalog Number> (105)
S2852

>  <Synonyms> (105)
N/A 

>  <Target> (105)
5-HT Receptor

>  <Form> (105)
Free Base

>  <URL> (105)
http://www.selleckchem.com/products/brl-54443.html

>  <CAS Number> (105)
57477-39-1

$$$$
GSK 1292263.cdx
csChFnd80/07261814072D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (106)
663

>  <Formula> (106)
C23H28N4O4S

>  <MolWeight> (106)
456.55782

>  <Item Name> (106)
GSK1292263

>  <Catalog Number> (106)
S2149

>  <Synonyms> (106)
N/A

>  <Target> (106)
GPR 

>  <Form> (106)
Free Base

>  <URL> (106)
http://www.selleckchem.com/products/GSK1292263.html

>  <CAS Number> (106)
1032823-75-8

$$$$
Amitriptyline hydrochloride.cdx
csChFnd80/07261814072D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (107)
668

>  <Formula> (107)
C20H24ClN

>  <MolWeight> (107)
313.86426

>  <Item Name> (107)
Amitriptyline HCl 

>  <Catalog Number> (107)
S3183

>  <Synonyms> (107)
N/A 

>  <Target> (107)
5-HT Receptor

>  <Form> (107)
hydrochloride

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

>  <CAS Number> (107)
549-18-8

$$$$
LDE225.cdx
csChFnd80/07261814072D

 35 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (108)
669

>  <Formula> (108)
C26H26F3N3O3

>  <MolWeight> (108)
485.4981496

>  <Item Name> (108)
LDE225 (NVP-LDE225, Erismodegib)

>  <Catalog Number> (108)
S2151

>  <Synonyms> (108)
N/A 

>  <Target> (108)
Smoothened

>  <Form> (108)
Free Base

>  <URL> (108)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

>  <CAS Number> (108)
956697-53-3

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/07261814072D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.0577    6.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4826    6.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    7.2620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5315    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2229    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17  9  1  0  0  0  0
 12 18  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> (109)
681

>  <Formula> (109)
C19H19ClN2

>  <MolWeight> (109)
310.82056

>  <Item Name> (109)
Desloratadine 

>  <Catalog Number> (109)
S4012

>  <Synonyms> (109)
N/A

>  <Target> (109)
Histamine Receptor

>  <Form> (109)
Free Base

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

>  <CAS Number> (109)
100643-71-8

$$$$
Oxybutynin chloride.cdx
csChFnd80/07261814072D

 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
    3.6458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    4.2097    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4333    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    5.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    7.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    4.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218    6.2668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    4.9097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5304    0.7154    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  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
  9 16  1  0  0  0  0
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 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (110)
683

>  <Formula> (110)
C22H32ClNO3

>  <MolWeight> (110)
393.94738

>  <Item Name> (110)
Oxybutynin chloride

>  <Catalog Number> (110)
S3117

>  <Synonyms> (110)
N/A 

>  <Target> (110)
AChR

>  <Form> (110)
Chloride

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

>  <CAS Number> (110)
1508-65-2

$$$$
MPEP.cdx
csChFnd80/07261814072D

 15 16  0  0  0  0  0  0  0  0999 V2000
    9.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8000    3.6373    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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
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 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
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  5  7  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (111)
725

>  <Formula> (111)
C14H11N

>  <MolWeight> (111)
193.24384

>  <Item Name> (111)
MPEP

>  <Catalog Number> (111)
S2809

>  <Synonyms> (111)
N/A 

>  <Target> (111)
GluR

>  <Form> (111)
Free Base

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

>  <CAS Number> (111)
96206-92-7

$$$$
PNU200577.cdx
csChFnd80/07261814072D

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.8540    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    2.1073    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 15  1  0  0  0  0
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 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (112)
726

>  <Formula> (112)
C22H31NO2

>  <MolWeight> (112)
341.48704

>  <Item Name> (112)
5-hydroxymethyl tolterodine (PNU 200577)

>  <Catalog Number> (112)
S2659 

>  <Synonyms> (112)
N/A

>  <Target> (112)
AChR 

>  <Form> (112)
Free Base

>  <URL> (112)
http://www.selleckchem.com/products/5-hydroxymethyl-tolterodine-pnu-200577.html

>  <CAS Number> (112)
207679-81-0

$$$$
Baicalin.cdx
csChFnd80/07261814072D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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 18 26  2  0  0  0  0
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 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (113)
727

>  <Formula> (113)
C21H18O11

>  <MolWeight> (113)
446.36102

>  <Item Name> (113)
Baicalin

>  <Catalog Number> (113)
S2269

>  <Synonyms> (113)
N/A

>  <Target> (113)
GABA Receptor

>  <Form> (113)
Free Base

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

>  <CAS Number> (113)
21967-41-9

$$$$
Rotundine.cdx
csChFnd80/07261814072D

 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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    2.4207    2.0927    0.0000 C   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  1  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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   10.9035    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  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
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 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
  9 27  1  6  0  0  0
M  END
>  <Mol_ID> (114)
757

>  <Formula> (114)
C21H25NO4

>  <MolWeight> (114)
355.4275

>  <Item Name> (114)
Rotundine

>  <Catalog Number> (114)
S2437

>  <Synonyms> (114)
N/A 

>  <Target> (114)
Dopamine Receptor

>  <Form> (114)
Free Base

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

>  <CAS Number> (114)
483-14-7

$$$$
Hesperetin.cdx
csChFnd80/07261814072D

 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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   12.1075    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
  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  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (115)
759

>  <Formula> (115)
C16H14O6

>  <MolWeight> (115)
302.27876

>  <Item Name> (115)
Hesperetin

>  <Catalog Number> (115)
S2308

>  <Synonyms> (115)
N/A

>  <Target> (115)
Histamine Receptor

>  <Form> (115)
Free Base

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

>  <CAS Number> (115)
520-33-2

$$$$
matrine.cdx
csChFnd80/07261814072D

 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
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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  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> (116)
771

>  <Formula> (116)
C15H24N2O

>  <MolWeight> (116)
248.36386

>  <Item Name> (116)
Matrine ((+)-Matrine)

>  <Catalog Number> (116)
S2322

>  <Synonyms> (116)
(+)-Matrine

>  <Target> (116)
Opioid Receptor

>  <Form> (116)
Free Base

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

>  <CAS Number> (116)
519-02-8 

$$$$
Neohesperidin dihydrochalcone.cdx
csChFnd80/07261814072D

 43 46  0  0  0  0  0  0  0  0999 V2000
    8.4828    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3326    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1823    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1201    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3906    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
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 13 14  2  0  0  0  0
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 19  2  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 23 18  1  0  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 23 27  1  6  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 20 32  1  1  0  0  0
 22 33  1  1  0  0  0
 28 34  1  1  0  0  0
 30 35  1  1  0  0  0
 21 36  1  6  0  0  0
 29 37  1  6  0  0  0
 32 38  1  0  0  0  0
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M  END
>  <Mol_ID> (117)
779

>  <Formula> (117)
C28H36O15

>  <MolWeight> (117)
612.57644

>  <Item Name> (117)
Neohesperidin dihydrochalcone (Nhdc)

>  <Catalog Number> (117)
S2331

>  <Synonyms> (117)
Nhdc, Neohesperidin dc, Neohesperidin dhc 

>  <Target> (117)
Others

>  <Form> (117)
Free Base

>  <URL> (117)
http://www.selleckchem.com/products/Neohesperidin-dihydrochalcone(Nhdc).html

>  <CAS Number> (117)
20702-77-6 

$$$$
Dihydromyricetin.cdx
csChFnd80/07261814072D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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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    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
   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  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
  8 14  1  1  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (118)
797

>  <Formula> (118)
C15H12O8

>  <MolWeight> (118)
320.25098

>  <Item Name> (118)
Dihydromyricetin (Ampeloptin)

>  <Catalog Number> (118)
S2399

>  <Synonyms> (118)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (118)
Others

>  <Form> (118)
Free Base

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

>  <CAS Number> (118)
27200-12-0

$$$$
Amantadine HCl.cdx
csChFnd80/07261814072D

 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> (119)
806

>  <Formula> (119)
C10H18ClN

>  <MolWeight> (119)
187.70962

>  <Item Name> (119)
Amantadine hydrochloride (Symmetrel)

>  <Catalog Number> (119)
S2451

>  <Synonyms> (119)
Symmetrel

>  <Target> (119)
Dopamine Receptor

>  <Form> (119)
Hydrochloride

>  <URL> (119)
selleckchem.com/products/Amantadine-hydrochloride(Symmetrel).html

>  <CAS Number> (119)
665-66-7

$$$$
Amfebutamone HCl.cdx
csChFnd80/07261814072D

 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> (120)
807

>  <Formula> (120)
C13H19Cl2NO

>  <MolWeight> (120)
276.20206

>  <Item Name> (120)
Amfebutamone (Bupropion) HCl

>  <Catalog Number> (120)
S2452

>  <Synonyms> (120)
Wellbutrin, Zyban, Budeprion

>  <Target> (120)
Dopamine Receptor

>  <Form> (120)
Hydrochloride

>  <URL> (120)
http://www.selleckchem.com/products/Amfebutamone-hydrochloride(Bupropion).html

>  <CAS Number> (120)
31677-93-7

$$$$
Benserazide hydrochloride.cdx
csChFnd80/07261814072D

 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> (121)
808

>  <Formula> (121)
C10H16ClN3O5

>  <MolWeight> (121)
293.70414

>  <Item Name> (121)
Benserazide HCl

>  <Catalog Number> (121)
S2453

>  <Synonyms> (121)
Ro-4-4602

>  <Target> (121)
Dopamine Receptor

>  <Form> (121)
Hydrochloride

>  <URL> (121)
selleckchem.com/products/Benserazide-hydrochloride(Serazide).html

>  <CAS Number> (121)
14919-77-8

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/07261814072D

 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> (122)
809

>  <Formula> (122)
C18H29ClN2O

>  <MolWeight> (122)
324.88866

>  <Item Name> (122)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (122)
S2454

>  <Synonyms> (122)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (122)
Sodium Channel

>  <Form> (122)
Hydrochloride

>  <URL> (122)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (122)
18010-40-7

$$$$
Carbamyl-beta-methylcholine chloride.cdx
csChFnd80/07261814072D

 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> (123)
811

>  <Formula> (123)
C7H17ClN2O2

>  <MolWeight> (123)
196.67508

>  <Item Name> (123)
Bethanechol chloride

>  <Catalog Number> (123)
S2455

>  <Synonyms> (123)
N/A 

>  <Target> (123)
AChR

>  <Form> (123)
quaternary-N Chloride salt

>  <URL> (123)
selleckchem.com/products/Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride).html

>  <CAS Number> (123)
590-63-6

$$$$
Chlorpromazine HCl.cdx
csChFnd80/07261814072D

 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
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    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
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    0.0042    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7452    6.2563    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  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
 18 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
>  <Mol_ID> (124)
812

>  <Formula> (124)
C17H20Cl2N2S

>  <MolWeight> (124)
355.3251

>  <Item Name> (124)
Chlorpromazine HCl

>  <Catalog Number> (124)
S2456

>  <Synonyms> (124)
Sonazine

>  <Target> (124)
Dopamine Receptor, Potassium Channel

>  <Form> (124)
Hydrochloride

>  <URL> (124)
http://www.selleckchem.com/products/Chlorpromazine-hydrochloride(Sonazine).html

>  <CAS Number> (124)
69-09-0

$$$$
Clonidine HCl.cdx
csChFnd80/07261814072D

 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
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    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> (125)
814

>  <Formula> (125)
C9H10Cl3N3

>  <MolWeight> (125)
266.5548

>  <Item Name> (125)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (125)
S2458

>  <Synonyms> (125)
Catapres

>  <Target> (125)
Adrenergic Receptor

>  <Form> (125)
Hydrochloride

>  <URL> (125)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (125)
4205-91-8

$$$$
Clozapine.cdx
csChFnd80/07261814072D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.2701    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5577    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8956    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1888    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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> (126)
815

>  <Formula> (126)
C18H19ClN4

>  <MolWeight> (126)
326.82326

>  <Item Name> (126)
Clozapine (Clozaril)

>  <Catalog Number> (126)
S2459

>  <Synonyms> (126)
Leponex, Fazaclo

>  <Target> (126)
5-HT Receptor

>  <Form> (126)
Free Base

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

>  <CAS Number> (126)
5786-21-0

$$$$
Domperidone.cdx
csChFnd80/07261814072D

 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
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   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> (127)
817

>  <Formula> (127)
C22H24ClN5O2

>  <MolWeight> (127)
425.91126

>  <Item Name> (127)
Domperidone (Motilium)

>  <Catalog Number> (127)
S2461

>  <Synonyms> (127)
Motilium, Motillium, Motinorm, Costi 

>  <Target> (127)
Dopamine Receptor

>  <Form> (127)
Free Base

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

>  <CAS Number> (127)
57808-66-9

$$$$
Donepezil HCl.cdx
csChFnd80/07261814072D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.7927    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1295    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4085    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2621    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.8041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2989    3.0259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8787    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 15  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (128)
818

>  <Formula> (128)
C24H30ClNO3

>  <MolWeight> (128)
415.9529

>  <Item Name> (128)
Donepezil HCl (Aricept)

>  <Catalog Number> (128)
S2462

>  <Synonyms> (128)
N/A 

>  <Target> (128)
AChR

>  <Form> (128)
Hydrochloride

>  <URL> (128)
http://www.selleckchem.com/products/Donepezil-hydrochloride(Aricept).html

>  <CAS Number> (128)
120011-70-3

$$$$
Estriol.cdx
csChFnd80/07261814072D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 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> (129)
819

>  <Formula> (129)
C18H24O3

>  <MolWeight> (129)
288.38136

>  <Item Name> (129)
Estriol

>  <Catalog Number> (129)
S2466

>  <Synonyms> (129)
Oestriol

>  <Target> (129)
Estrogen/progestogen Receptor

>  <Form> (129)
Free Base

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

>  <CAS Number> (129)
50-27-1

$$$$
Gallamine triethiodide.cdx
csChFnd80/07261814072D

 39 36  0  0  0  0  0  0  0  0999 V2000
    8.1209    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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
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    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> (130)
823

>  <Formula> (130)
C30H60I3N3O3

>  <MolWeight> (130)
891.52911

>  <Item Name> (130)
Gallamine triethiodide (Flaxedil)

>  <Catalog Number> (130)
S2471

>  <Synonyms> (130)
Flaxedil

>  <Target> (130)
AChR

>  <Form> (130)
tri-quaternary-N iodide salt

>  <URL> (130)
http://www.selleckchem.com/products/Gallamine-triethiodide(Flaxedil).html

>  <CAS Number> (130)
65-29-2

$$$$
Hexestrol.cdx
csChFnd80/07261814072D

 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
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    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
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    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  5  6  2  0  0  0  0
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  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
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  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> (131)
825

>  <Formula> (131)
C18H22O2

>  <MolWeight> (131)
270.36608

>  <Item Name> (131)
Hexestrol (Bibenzyl)

>  <Catalog Number> (131)
S2473

>  <Synonyms> (131)
Bibenzyl, Cycloestrol, Dihydro-stilbestro, Dihydrostilbestrol, Estra-Plex 

>  <Target> (131)
Estrogen/progestogen Receptor

>  <Form> (131)
Free Base

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

>  <CAS Number> (131)
84-16-2

$$$$
Loperamide HCl.cdx
csChFnd80/07261814072D

 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
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    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2373    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2273    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8649    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5126    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5227    7.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1555    0.6854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 13  8  1  0  0  0  0
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 11 15  1  0  0  0  0
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 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
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 23 25  2  0  0  0  0
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 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
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 31 32  2  0  0  0  0
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 33 34  2  0  0  0  0
 34 24  1  0  0  0  0
M  END
>  <Mol_ID> (132)
828

>  <Formula> (132)
C29H34Cl2N2O2

>  <MolWeight> (132)
513.49846

>  <Item Name> (132)
Loperamide hydrochloride

>  <Catalog Number> (132)
S2480

>  <Synonyms> (132)
N/A

>  <Target> (132)
Opioid Receptor

>  <Form> (132)
Hydrochloride

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

>  <CAS Number> (132)
34552-83-5

$$$$
Neostigmine bromide.cdx
csChFnd80/07261814072D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7122    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (133)
846

>  <Formula> (133)
C12H19BrN2O2

>  <MolWeight> (133)
303.19546

>  <Item Name> (133)
Neostigmine bromide (Prostigmin)

>  <Catalog Number> (133)
S2490

>  <Synonyms> (133)
Prostigmin, Vagostigmin

>  <Target> (133)
AChR

>  <Form> (133)
Bromide

>  <URL> (133)
http://www.selleckchem.com/products/Neostigmine-bromide(Prostigmin).html

>  <CAS Number> (133)
114-80-7

$$$$
Olanzapine.cdx
csChFnd80/07261814072D

 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> (134)
849

>  <Formula> (134)
C17H20N4S

>  <MolWeight> (134)
312.4325

>  <Item Name> (134)
Olanzapine (Zyprexa)

>  <Catalog Number> (134)
S2493

>  <Synonyms> (134)
Zyprexa, Zalasta, Zolafren, Olzapin, Oferta, Zypadhera 

>  <Target> (134)
5-HT Receptor, Dopamine Receptor

>  <Form> (134)
Free Base

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

>  <CAS Number> (134)
132539-06-1

$$$$
Olopatadine HCl.cdx
csChFnd80/07261814072D

 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> (135)
850

>  <Formula> (135)
C21H24ClNO3

>  <MolWeight> (135)
373.87316

>  <Item Name> (135)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (135)
S2494

>  <Synonyms> (135)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (135)
Histamine Receptor

>  <Form> (135)
Hydrochloride

>  <URL> (135)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (135)
140462-76-6

$$$$
Pancuronium bromide.cdx
csChFnd80/07261814072D

 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
    6.0580    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  2  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6953    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6953    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    6.0580    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.5951    0.0000 H   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
   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
    6.0580    1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    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
    0.0000    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 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
  1 18  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 16 23  1  1  0  0  0
  2 24  1  6  0  0  0
  4 25  1  6  0  0  0
 10 26  1  6  0  0  0
 11 27  1  6  0  0  0
 18 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 18  1  0  0  0  0
 18 33  1  0  0  0  0
 24 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 22 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 23 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 23  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
>  <Mol_ID> (136)
853

>  <Formula> (136)
C35H60Br2N2O4

>  <MolWeight> (136)
732.6699

>  <Item Name> (136)
Pancuronium dibromide

>  <Catalog Number> (136)
S2497

>  <Synonyms> (136)
N/A

>  <Target> (136)
AChR

>  <Form> (136)
di-quaternary-N bromide salt

>  <URL> (136)
http://www.selleckchem.com/products/Pancuronium-bromide(Pavulon).html

>  <CAS Number> (136)
15500-66-0

$$$$
Racecadotril.cdx
csChFnd80/07261814072D

 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> (137)
856

>  <Formula> (137)
C21H23NO4S

>  <MolWeight> (137)
385.47662

>  <Item Name> (137)
Racecadotril (Acetorphan)

>  <Catalog Number> (137)
S2503

>  <Synonyms> (137)
Acetorphan

>  <Target> (137)
Opioid Receptor

>  <Form> (137)
Free Base

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

>  <CAS Number> (137)
81110-73-8

$$$$
Salbutamol sulfate.cdx
csChFnd80/07261814072D

 22 21  0  0  0  0  0  0  0  0999 V2000
    6.0664    5.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    5.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    6.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    6.1683    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6415    5.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    7.5683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    6.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    5.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    3.3634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5757    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5757    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5757    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1757    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9757    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (138)
859

>  <Formula> (138)
C13H23NO7S

>  <MolWeight> (138)
337.38922

>  <Item Name> (138)
Salbutamol sulfate (Albuterol)

>  <Catalog Number> (138)
S2507

>  <Synonyms> (138)
Albuterol, Ventolin, Aerolin, Ventorlin, Asthalin, Asthavent

>  <Target> (138)
Adrenergic Receptor

>  <Form> (138)
Sulfate

>  <URL> (138)
http://www.selleckchem.com/products/Salbutamol-sulfate(Albuterol).html

>  <CAS Number> (138)
51022-70-9

$$$$
Scopolamine hydrobromide.cdx
csChFnd80/07261814072D

 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> (139)
860

>  <Formula> (139)
C17H22BrNO4

>  <MolWeight> (139)
384.26488

>  <Item Name> (139)
Scopolamine hydrobromide

>  <Catalog Number> (139)
S2508

>  <Synonyms> (139)
N/A

>  <Target> (139)
AChR

>  <Form> (139)
Hydrobromide

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

>  <CAS Number> (139)
114-49-8

$$$$
Sotalol HCl.cdx
csChFnd80/07261814072D

 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> (140)
861

>  <Formula> (140)
C12H21ClN2O3S

>  <MolWeight> (140)
308.82474

>  <Item Name> (140)
Sotalol HCl

>  <Catalog Number> (140)
S2509

>  <Synonyms> (140)
Sotalex

>  <Target> (140)
Adrenergic Receptor

>  <Form> (140)
Hydrochloride

>  <URL> (140)
http://www.selleckchem.com/products/Sotalol-hydrochloride(Betapace).html

>  <CAS Number> (140)
959-24-0

$$$$
Maprotiline hydrochloride.cdx
csChFnd80/07261814072D

 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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9624    1.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9624    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5098    2.5083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 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> (141)
866

>  <Formula> (141)
C20H24ClN

>  <MolWeight> (141)
313.86426

>  <Item Name> (141)
Maprotiline hydrochloride

>  <Catalog Number> (141)
S2517

>  <Synonyms> (141)
Deprilept, Ludiomil, Psymion

>  <Target> (141)
Reuptake inhibitor

>  <Form> (141)
Hydrochloride

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

>  <CAS Number> (141)
10347-81-6

$$$$
Naphazoline hydrochloride.cdx
csChFnd80/07261814072D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5695    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3327    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9201    3.3104    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (142)
867

>  <Formula> (142)
C14H15ClN2

>  <MolWeight> (142)
246.7353

>  <Item Name> (142)
Naphazoline hydrochloride (Naphcon)

>  <Catalog Number> (142)
S2519

>  <Synonyms> (142)
Naphcon, Albalon

>  <Target> (142)
Adrenergic Receptor

>  <Form> (142)
Hydrochloride

>  <URL> (142)
http://www.selleckchem.com/products/Naphazoline-hydrochloride-Naphcon.html

>  <CAS Number> (142)
550-99-2

$$$$
Epinephrine bitartrate.cdx
csChFnd80/07261814072D

 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> (143)
868

>  <Formula> (143)
C13H19NO9

>  <MolWeight> (143)
333.29126

>  <Item Name> (143)
Epinephrine bitartrate (Adrenalinium)

>  <Catalog Number> (143)
S2521

>  <Synonyms> (143)
D02149, Adrenalinetartrate, Adrenaline tatrate, Epinephrine Acid Tartrate 

>  <Target> (143)
Adrenergic Receptor

>  <Form> (143)
tartrate

>  <URL> (143)
http://www.selleckchem.com/products/Epinephrine-bitartrate-Adrenalinium.html

>  <CAS Number> (143)
51-42-3

$$$$
L-Adrenaline.cdx
csChFnd80/07261814072D

 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> (144)
869

>  <Formula> (144)
C9H13NO3

>  <MolWeight> (144)
183.20442

>  <Item Name> (144)
L-Adrenaline (Epinephrine)

>  <Catalog Number> (144)
S2522

>  <Synonyms> (144)
Adrenaline, d-Adrenaline, Adnephrine, Adrenalin, Chelafrin, Epinefrina, Epinephran, Epirenan, Exadri 

>  <Target> (144)
Adrenergic Receptor

>  <Form> (144)
Free Base

>  <URL> (144)
http://www.selleckchem.com/products/L-Adrenaline-Epinephrine.html

>  <CAS Number> (144)
51-43-4

$$$$
Dopamine hydrochloride.cdx
csChFnd80/07261814072D

 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
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  3  4  2  0  0  0  0
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  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> (145)
874

>  <Formula> (145)
C8H12ClNO2

>  <MolWeight> (145)
189.63938

>  <Item Name> (145)
Dopamine hydrochloride (Inotropin)

>  <Catalog Number> (145)
S2529

>  <Synonyms> (145)
ASL 279, Cardiosteril, Dopamine Fresenius, Dopastat, Intropin, Rascordin, Revivan, Tensamin 

>  <Target> (145)
Dopamine Receptor

>  <Form> (145)
Hydrochloride 

>  <URL> (145)
http://www.selleckchem.com/products/Dopamine-hydrochloride-Inotropin.html

>  <CAS Number> (145)
62-31-7

$$$$
Ritodrine hydrochloride.cdx
csChFnd80/07261814072D

 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> (146)
878

>  <Formula> (146)
C17H22ClNO3

>  <MolWeight> (146)
323.81448

>  <Item Name> (146)
Ritodrine hydrochloride (Yutopar)

>  <Catalog Number> (146)
S2533

>  <Synonyms> (146)
DU 21220; Miolene; NSC 291565

>  <Target> (146)
Adrenergic Receptor

>  <Form> (146)
Hydrochloride

>  <URL> (146)
www.selleckchem.com/products/Ritodrine-hydrochloride-Yutopar.html

>  <CAS Number> (146)
23239-51-2

$$$$
fty720.cdx
csChFnd80/07261814072D

 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
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    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> (147)
884

>  <Formula> (147)
C19H34ClNO2

>  <MolWeight> (147)
343.93176

>  <Item Name> (147)
Fingolimod (FTY720) HCl

>  <Catalog Number> (147)
S5002

>  <Synonyms> (147)
Gilenia 

>  <Target> (147)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (147)
Hydrochloride

>  <URL> (147)
http://www.selleckchem.com/products/FTY720.html

$$$$
NUTRESTORE (glutamine).cdx
csChFnd80/07261814072D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  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
    1.2167    3.5000    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
    4.8540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  2  8  2  0  0  0  0
  6  9  2  0  0  0  0
  5 10  1  1  0  0  0
M  END
>  <Mol_ID> (148)
890

>  <Formula> (148)
C5H10N2O3

>  <MolWeight> (148)
146.1445

>  <Item Name> (148)
L-Glutamine

>  <Catalog Number> (148)
S1749

>  <Synonyms> (148)
N/A

>  <Target> (148)
Others

>  <Form> (148)
Free Base

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

>  <CAS Number> (148)
56-85-9

$$$$
Toremifene Citrate.cdx
csChFnd80/07261814072D

 42 43  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7079    8.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    8.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    5.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    6.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1328   12.9683    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 38 40  1  0  0  0  0
 33 41  1  0  0  0  0
 35 42  1  0  0  0  0
M  END
>  <Mol_ID> (149)
892

>  <Formula> (149)
C32H36ClNO8

>  <MolWeight> (149)
598.08314

>  <Item Name> (149)
Toremifene Citrate (Fareston, Acapodene)

>  <Catalog Number> (149)
S1776

>  <Synonyms> (149)
Fareston, Acapodene

>  <Target> (149)
Estrogen/progestogen Receptor

>  <Form> (149)
Citrate 

>  <URL> (149)
www.selleckchem.com/products/Toremifene-Citrate(Fareston).html

>  <CAS Number> (149)
89778-27-8

$$$$
Ketanserin.cdx
csChFnd80/07261814072D

 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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    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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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  0  0  0  0  0  0  0  0  0  0
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   13.3200    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7448    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7448    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    2.0976    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
  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  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  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  1  0  0  0  0
 21 23  2  0  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
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (150)
895

>  <Formula> (150)
C22H22FN3O3

>  <MolWeight> (150)
395.4267832

>  <Item Name> (150)
Ketanserin (Vulketan Gel)

>  <Catalog Number> (150)
S2232

>  <Synonyms> (150)
R 41468, Vulketan Gel

>  <Target> (150)
5-HT Receptor

>  <Form> (150)
Free Base

>  <URL> (150)
http://www.selleckchem.com/products/Ketanserin-Vulketan-Gel.html

>  <CAS Number> (150)
74050-98-9

$$$$
Clomipramine hydrochloride.cdx
csChFnd80/07261814072D

 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
    4.6481    3.0669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0753    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9481    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3481    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2210    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9095    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7112    1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9358    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9480    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8564    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0646    8.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2728    6.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8309    3.8982    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  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  2  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
 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> (151)
901

>  <Formula> (151)
C19H24Cl2N2

>  <MolWeight> (151)
351.31326

>  <Item Name> (151)
Clomipramine hydrochloride (Anafranil)

>  <Catalog Number> (151)
S2541

>  <Synonyms> (151)
Anafranil

>  <Target> (151)
5-HT Receptor

>  <Form> (151)
Hydrochloride

>  <URL> (151)
http://www.selleckchem.com/products/Clomipramine-hydrochloride-Anafranil.html

>  <CAS Number> (151)
17321-77-6

$$$$
Trospium chloride.cdx
csChFnd80/07261814072D

 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
    2.6028    6.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241    5.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2326    5.5652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1008    9.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0366    4.5165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2241    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6117   10.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483   11.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6553   11.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  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
  9 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 17 19  2  0  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> (152)
913

>  <Formula> (152)
C25H30ClNO3

>  <MolWeight> (152)
427.9636

>  <Item Name> (152)
Trospium chloride (Sanctura)

>  <Catalog Number> (152)
S2549

>  <Synonyms> (152)
Sanctura

>  <Target> (152)
AChR

>  <Form> (152)
quaternary-N chloride salt

>  <URL> (152)
http://www.selleckchem.com/products/Trospium-chloride-Sanctura.html

>  <CAS Number> (152)
10405-02-4

$$$$
Tolterodine tartrate.cdx
csChFnd80/07261814072D

 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
    3.6458    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    7.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    7.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    4.9097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1291    4.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  6  0  0  0
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 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 10 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 10  1  0  0  0  0
 25 26  2  0  0  0  0
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 28 30  1  6  0  0  0
 29 31  1  0  0  0  0
 29 32  1  6  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (153)
914

>  <Formula> (153)
C26H37NO7

>  <MolWeight> (153)
475.57448

>  <Item Name> (153)
Tolterodine tartrate (Detrol LA)

>  <Catalog Number> (153)
S2550

>  <Synonyms> (153)
Detrol LA, Kabi-2234, PNU-200583E 

>  <Target> (153)
AChR

>  <Form> (153)
Tartrate 

>  <URL> (153)
http://www.selleckchem.com/products/Tolterodine-tartrate-Detrol-LA.html

>  <CAS Number> (153)
124937-52-6

$$$$
Clomifene citrate.cdx
csChFnd80/07261814072D

 42 43  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2704    5.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    8.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    8.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.3158    6.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    5.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0041    0.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2166    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4248    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6330    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8412    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0495    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2577    0.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0495    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2166    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6330    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4248    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8412    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9954    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  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  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  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
 10 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 31 38  2  0  0  0  0
 33 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 33 42  1  0  0  0  0
M  END
>  <Mol_ID> (154)
916

>  <Formula> (154)
C32H36ClNO8

>  <MolWeight> (154)
598.08314

>  <Item Name> (154)
Clomifene citrate (Serophene)

>  <Catalog Number> (154)
S2561

>  <Synonyms> (154)
Clomid, Serophene, Milophene

>  <Target> (154)
Estrogen/progestogen Receptor

>  <Form> (154)
Citrate

>  <URL> (154)
http://www.selleckchem.com/products/Clomifene-citrate-Serophene.html

>  <CAS Number> (154)
50-41-9

$$$$
Niacin(acid).cdx
csChFnd80/07261814072D

  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> (155)
918

>  <Formula> (155)
C6H5NO2

>  <MolWeight> (155)
123.1094

>  <Item Name> (155)
Niacin (Nicotinic acid)

>  <Catalog Number> (155)
S1744 

>  <Synonyms> (155)
Vitamin B3, Niacinamide, Nicotinic acid

>  <Target> (155)
Vitamin

>  <Form> (155)
Free Base

>  <URL> (155)
http://www.selleckchem.com/products/Niacin(Nicotinic-acid).html

>  <CAS Number> (155)
59-67-6

$$$$
Cortisone acetate.cdx
csChFnd80/07261814072D

 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
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    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
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    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
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    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 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> (156)
919

>  <Formula> (156)
C23H30O6

>  <MolWeight> (156)
402.4807

>  <Item Name> (156)
Cortisone acetate (Cortone)

>  <Catalog Number> (156)
S2559

>  <Synonyms> (156)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (156)
Glucocorticoid Receptor

>  <Form> (156)
Free Base

>  <URL> (156)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

>  <CAS Number> (156)
50-04-4

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/07261814072D

 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> (157)
921

>  <Formula> (157)
C11H18ClNO3

>  <MolWeight> (157)
247.71852

>  <Item Name> (157)
Isoprenaline hydrochloride

>  <Catalog Number> (157)
S2566

>  <Synonyms> (157)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (157)
Adrenergic Receptor

>  <Form> (157)
Hydrochloride

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

>  <CAS Number> (157)
51-30-9

$$$$
NPS-2143.cdx
csChFnd80/07261814072D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 Cl  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
    4.8413    2.7976    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
    7.2578    2.7976    0.0000 C   0  0  1  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
   10.8825    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1825    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    2.8000    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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 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
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AM1241

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Cannabinoid Receptor

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Free Base

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http://www.selleckchem.com/products/AM-1241.html

>  <CAS Number> (163)
444912-48-5

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>  <Synonyms> (164)
Fluonex, Lidex, Lidex-E, Lonide, Lyderm 

>  <Target> (164)
Glucocorticoid Receptor

>  <Form> (164)
Free Base

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

>  <CAS Number> (164)
356-12-7

$$$$
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GABA Receptor

>  <Form> (165)
Free Base

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

>  <CAS Number> (165)
15291-75-5

$$$$
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Histamine Receptor 

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Maleate

>  <URL> (166)
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>  <CAS Number> (166)
184025-19-2

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M  END
>  <Mol_ID> (167)
982

>  <Formula> (167)
C24H29ClN2O3

>  <MolWeight> (167)
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>  <Item Name> (167)
ADL5859 HCl

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S1139

>  <Synonyms> (167)
N/A 

>  <Target> (167)
Opioid Receptor

>  <Form> (167)
Hydrochloride

>  <URL> (167)
http://www.selleckchem.com/products/ADL-5859.html

>  <CAS Number> (167)
850173-95-4

$$$$
BMY7378.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (168)
983

>  <Formula> (168)
C22H33Cl2N3O3

>  <MolWeight> (168)
458.42172

>  <Item Name> (168)
BMY 7378 Dihydrochloride

>  <Catalog Number> (168)
S2691

>  <Synonyms> (168)
N/A

>  <Target> (168)
5-HT Receptor

>  <Form> (168)
Dihydrochloride

>  <URL> (168)
http://www.selleckchem.com/products/bmy-7378.html

>  <CAS Number> (168)
21102-95-4

$$$$
BRL15572.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (169)
990

>  <Formula> (169)
C25H29Cl3N2O

>  <MolWeight> (169)
479.86956

>  <Item Name> (169)
BRL-15572

>  <Catalog Number> (169)
S2677

>  <Synonyms> (169)
N/A

>  <Target> (169)
5-HT Receptor

>  <Form> (169)
Dihydrochloride

>  <URL> (169)
http://www.selleckchem.com/products/brl-15572.html

>  <CAS Number> (169)
193611-72-2

$$$$
JTC801.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (170)
997

>  <Formula> (170)
C26H26ClN3O2

>  <MolWeight> (170)
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>  <Item Name> (170)
JTC-801

>  <Catalog Number> (170)
S2722

>  <Synonyms> (170)
N/A

>  <Target> (170)
Opioid Receptor

>  <Form> (170)
Hydrochloride

>  <URL> (170)
http://www.selleckchem.com/products/jtc-801.html

>  <CAS Number> (170)
244218-51-7

$$$$
Nepicastat hydrochloride.cdx
csChFnd80/07261814072D

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   10.1621    3.2470    0.0000 N   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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 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (171)
1003

>  <Formula> (171)
C14H16ClF2N3S

>  <MolWeight> (171)
331.8117464

>  <Item Name> (171)
Nepicastat hydrochloride

>  <Catalog Number> (171)
S2695

>  <Synonyms> (171)
SYN117

>  <Target> (171)
Hydroxylase

>  <Form> (171)
Hydrochloride

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

>  <CAS Number> (171)
170151-24-3

$$$$
Brompheniramine maleate.cdx
csChFnd80/07261814072D

 27 27  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  4  1  0  0  0  0
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 14 15  1  0  0  0  0
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 18  1  1  0  0  0  0
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 21 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (172)
1005

>  <Formula> (172)
C20H23BrN2O4

>  <MolWeight> (172)
435.31162

>  <Item Name> (172)
Brompheniramine hydrogen maleate

>  <Catalog Number> (172)
S2585

>  <Synonyms> (172)
N/A

>  <Target> (172)
Histamine Receptor

>  <Form> (172)
Maleate

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

>  <CAS Number> (172)
980-71-2

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/07261814072D

 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
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   13.1311    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3393    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7642    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  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
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 20 21  1  0  0  0  0
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 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (173)
1006

>  <Formula> (173)
C24H26N2O4

>  <MolWeight> (173)
406.47424

>  <Item Name> (173)
Carvedilol

>  <Catalog Number> (173)
S1831

>  <Synonyms> (173)
Coreg, Dilatrend

>  <Target> (173)
Adrenergic Receptor

>  <Form> (173)
Free Base

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

>  <CAS Number> (173)
72956-09-3

$$$$
Phenylephrine hydrochloride.cdx
csChFnd80/07261814072D

 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
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    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 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> (174)
1008

>  <Formula> (174)
C9H14ClNO2

>  <MolWeight> (174)
203.66596

>  <Item Name> (174)
Phenylephrine hydrochloride

>  <Catalog Number> (174)
S2569

>  <Synonyms> (174)
N/A

>  <Target> (174)
Adrenergic Receptor

>  <Form> (174)
Hydrochloride

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

>  <CAS Number> (174)
61-76-7

$$$$

csChFnd80/07261814072D

 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
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M  END
>  <Mol_ID> (175)
1012

>  <Formula> (175)
C16H25ClN2O

>  <MolWeight> (175)
296.8355

>  <Item Name> (175)
Ropinirole HCl

>  <Catalog Number> (175)
S3189

>  <Synonyms> (175)
N/A 

>  <Target> (175)
Dopamine Receptor

>  <Form> (175)
HCl

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

>  <CAS Number> (175)
91374-20-8

$$$$
(+,-)-Octopamine hydrochloride.cdx
csChFnd80/07261814072D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.3703    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.3703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  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
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (176)
1013

>  <Formula> (176)
C8H12ClNO2

>  <MolWeight> (176)
189.63938

>  <Item Name> (176)
(+,-)-Octopamine HCl

>  <Catalog Number> (176)
S3188

>  <Synonyms> (176)
N/A 

>  <Target> (176)
Dopamine Receptor

>  <Form> (176)
HCl

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

>  <CAS Number> (176)
770-05-8

$$$$
BENICAR (olmesartan medoxomil).cdx
csChFnd80/07261814072D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.1855    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1855    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3181    7.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (177)
1027

>  <Formula> (177)
C29H30N6O6

>  <MolWeight> (177)
558.5851

>  <Item Name> (177)
Olmesartan medoxomil (Benicar)

>  <Catalog Number> (177)
S1604

>  <Synonyms> (177)
Olmetec 

>  <Target> (177)
RAAS

>  <Form> (177)
Free Base

>  <URL> (177)
http://www.selleckchem.com/products/olmesartan-medoxomil-Benicar.html

>  <CAS Number> (177)
144689-63-4

$$$$
RS-127445.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (178)
1039

>  <Formula> (178)
C17H16FN3

>  <MolWeight> (178)
281.3274432

>  <Item Name> (178)
RS-127445

>  <Catalog Number> (178)
S2698

>  <Synonyms> (178)
N/A

>  <Target> (178)
5-HT Receptor

>  <Form> (178)
Free Base

>  <URL> (178)
http://www.selleckchem.com/products/rs-127445.html

>  <CAS Number> (178)
199864-87-3

$$$$
Fluticasone propionate.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (179)
1040

>  <Formula> (179)
C25H31F3O5S

>  <MolWeight> (179)
500.5708496

>  <Item Name> (179)
Fluticasone propionate (Flonase, Veramyst)

>  <Catalog Number> (179)
S1992

>  <Synonyms> (179)
N/A 

>  <Target> (179)
Glucocorticoid Receptor

>  <Form> (179)
Free Base

>  <URL> (179)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

>  <CAS Number> (179)
80474-14-2

$$$$
Formoterol fumarate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (180)
1041

>  <Formula> (180)
C42H52N4O12

>  <MolWeight> (180)
804.88188

>  <Item Name> (180)
Formoterol hemifumarate

>  <Catalog Number> (180)
S2020

>  <Synonyms> (180)
N/A

>  <Target> (180)
Adrenergic Receptor

>  <Form> (180)
Hemifumarate

>  <URL> (180)
http://www.selleckchem.com/products/formoterol-hemifumarate.html

>  <CAS Number> (180)
43229-80-7

$$$$
Ketotifen fumarate.cdx
csChFnd80/07261814072D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (181)
1042

>  <Formula> (181)
C23H23NO5S

>  <MolWeight> (181)
425.49742

>  <Item Name> (181)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (181)
S2024

>  <Synonyms> (181)
N/A 

>  <Target> (181)
Histamine Receptor

>  <Form> (181)
Fumarate 

>  <URL> (181)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (181)
34580-14-8

$$$$
Meclizine dihydrochloride.cdx
csChFnd80/07261814072D

 30 31  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (182)
1044

>  <Formula> (182)
C25H29Cl3N2

>  <MolWeight> (182)
463.87016

>  <Item Name> (182)
Meclizine dihydrochloride

>  <Catalog Number> (182)
S1986 

>  <Synonyms> (182)
N/A

>  <Target> (182)
Others

>  <Form> (182)
Dihydrochloride

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

>  <CAS Number> (182)
1104-22-9

$$$$
MIRTAZAPINE (mirtazapine).cdx
csChFnd80/07261814072D

 20 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  2 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  3  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  5  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (183)
1045

>  <Formula> (183)
C17H19N3

>  <MolWeight> (183)
265.35286

>  <Item Name> (183)
Mirtazapine (Remeron, Avanza)

>  <Catalog Number> (183)
S2016

>  <Synonyms> (183)
N/A 

>  <Target> (183)
5-HT Receptor

>  <Form> (183)
Free Base

>  <URL> (183)
http://www.selleckchem.com/products/mirtazapine-remeron-avanza.html

>  <CAS Number> (183)
85650-52-8 

$$$$
Mometasone furoate.cdx
csChFnd80/07261814072D

 37 41  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 21  1  1  0  0  0
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 36 37  1  0  0  0  0
 37 33  1  0  0  0  0
M  END
>  <Mol_ID> (184)
1046

>  <Formula> (184)
C27H30Cl2O6

>  <MolWeight> (184)
521.4295

>  <Item Name> (184)
Mometasone furoate

>  <Catalog Number> (184)
S1987

>  <Synonyms> (184)
N/A

>  <Target> (184)
Glucocorticoid Receptor

>  <Form> (184)
Furoate

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

>  <CAS Number> (184)
83919-23-7

$$$$
Ticlopidine hydrochloride.cdx
csChFnd80/07261814072D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7917    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4662    0.0000    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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 14  9  1  0  0  0  0
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 16 17  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
>  <Mol_ID> (185)
1052

>  <Formula> (185)
C14H15Cl2NS

>  <MolWeight> (185)
300.2466

>  <Item Name> (185)
Ticlopidine hydrochloride

>  <Catalog Number> (185)
S1984

>  <Synonyms> (185)
N/A

>  <Target> (185)
P2 Receptor

>  <Form> (185)
Hydrochloride

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

>  <CAS Number> (185)
53885-35-1

$$$$
Trazodone hydrochloride.cdx
csChFnd80/07261814072D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 25 20  1  0  0  0  0
 18 26  2  0  0  0  0
M  END
>  <Mol_ID> (186)
1053

>  <Formula> (186)
C19H23Cl2N5O

>  <MolWeight> (186)
408.32482

>  <Item Name> (186)
Trazodone hydrochloride (Desyrel)

>  <Catalog Number> (186)
S2582

>  <Synonyms> (186)
N/A 

>  <Target> (186)
5-HT Receptor

>  <Form> (186)
Hydrochloride

>  <URL> (186)
http://www.selleckchem.com/products/trazodone-hydrochloride-desyrel.html

>  <CAS Number> (186)
25332-39-2 

$$$$
Urapidil hydrochloride.cdx
csChFnd80/07261814072D

 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
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    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
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 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (187)
1054

>  <Formula> (187)
C20H30ClN5O3

>  <MolWeight> (187)
423.9369

>  <Item Name> (187)
Urapidil hydrochloride

>  <Catalog Number> (187)
S2025

>  <Synonyms> (187)
N/A

>  <Target> (187)
5-HT Receptor

>  <Form> (187)
Hydrochloride

>  <URL> (187)
http://www.selleckchem.com/products/urapidil-hydrochloride.html

>  <CAS Number> (187)
64887-14-5

$$$$
Phentolamine mesilate.cdx
csChFnd80/07261814072D

 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
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 10  1  1  0  0  0  0
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 11 12  1  0  0  0  0
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 14 15  2  0  0  0  0
 15  3  1  0  0  0  0
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 13 17  1  0  0  0  0
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 18 19  1  0  0  0  0
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 21  5  2  0  0  0  0
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 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (188)
1065

>  <Formula> (188)
C18H23N3O4S

>  <MolWeight> (188)
377.45792

>  <Item Name> (188)
Phentolamine Mesylate 

>  <Catalog Number> (188)
S2038

>  <Synonyms> (188)
Regitine

>  <Target> (188)
adrenergic receptor

>  <Form> (188)
Mesylate 

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

>  <CAS Number> (188)
65-28-1

$$$$
Buflomedil hydrochloride.cdx
csChFnd80/07261814072D

 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> (189)
1075

>  <Formula> (189)
C17H26ClNO4

>  <MolWeight> (189)
343.84564

>  <Item Name> (189)
Buflomedil HCl

>  <Catalog Number> (189)
S2607

>  <Synonyms> (189)
N/A

>  <Target> (189)
Adrenergic Receptor

>  <Form> (189)
Hydrochloride

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

>  <CAS Number> (189)
35543-24-9

$$$$
Clobetasol propionate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (190)
1077

>  <Formula> (190)
C25H32ClFO5

>  <MolWeight> (190)
466.9699832

>  <Item Name> (190)
Clobetasol propionate

>  <Catalog Number> (190)
S2584

>  <Synonyms> (190)
N/A

>  <Target> (190)
Glucocorticoid Receptor

>  <Form> (190)
Free Base

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

>  <CAS Number> (190)
25122-46-7

$$$$
Tolvaptan.cdx
csChFnd80/07261814072D

 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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   10.4510    5.7421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (191)
1090

>  <Formula> (191)
C26H25ClN2O3

>  <MolWeight> (191)
448.9413

>  <Item Name> (191)
Tolvaptan (OPC-41061)

>  <Catalog Number> (191)
S2593

>  <Synonyms> (191)
Samsca 

>  <Target> (191)
Estrogen/progestogen Receptor

>  <Form> (191)
Free Base

>  <URL> (191)
http://www.selleckchem.com/products/tolvaptan-opc-41061.html

>  <CAS Number> (191)
150683-30-0

$$$$
Scopine.cdx
csChFnd80/07261814072D

 15 17  0  0  0  0  0  0  0  0999 V2000
    2.1048    2.6731    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  7  1  0  0  0  0
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  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (192)
1102

>  <Formula> (192)
C8H13NO2

>  <MolWeight> (192)
155.19432

>  <Item Name> (192)
Scopine

>  <Catalog Number> (192)
S2545

>  <Synonyms> (192)
N/A

>  <Target> (192)
Adrenergic Receptor

>  <Form> (192)
Free Base

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

>  <CAS Number> (192)
498-45-3

$$$$
Memantine HCl.cdx
csChFnd80/07261814072D

 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
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    2.7019    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  7  2  1  0  0  0  0
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  4 11  1  0  0  0  0
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 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (193)
1113

>  <Formula> (193)
C12H22ClN

>  <MolWeight> (193)
215.76278

>  <Item Name> (193)
Memantine hydrochloride (Namenda)

>  <Catalog Number> (193)
S2043

>  <Synonyms> (193)
N/A 

>  <Target> (193)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (193)
Hydrochloride

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

>  <CAS Number> (193)
41100-52-1

$$$$
Metoprolol tartrate.cdx
csChFnd80/07261814072D

 48 47  0  0  0  0  0  0  0  0999 V2000
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   14.1244   10.1215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
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 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
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M  END
>  <Mol_ID> (194)
1114

>  <Formula> (194)
C34H56N2O12

>  <MolWeight> (194)
684.81464

>  <Item Name> (194)
Metoprolol tartrate

>  <Catalog Number> (194)
S1856

>  <Synonyms> (194)
N/A

>  <Target> (194)
Adrenergic Receptor

>  <Form> (194)
Tartrate

>  <URL> (194)
http://www.selleckchem.com/products/metoprolol-tartrate.html

>  <CAS Number> (194)
392-17-7

$$$$
Noradrenaline bitartrate.cdx
csChFnd80/07261814072D

 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
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M  END
>  <Mol_ID> (195)
1116

>  <Formula> (195)
C12H19NO10

>  <MolWeight> (195)
337.27996

>  <Item Name> (195)
Noradrenaline bitartrate monohydrate (Levoph

>  <Catalog Number> (195)
S2615

>  <Synonyms> (195)
N/A 

>  <Target> (195)
Adrenergic Receptor

>  <Form> (195)
bitartrate monohydrate

>  <URL> (195)
http://www.selleckchem.com/products/noradrenaline-bitartrate-monohydrate-levophed.html

>  <CAS Number> (195)
108341-18-0

$$$$
Orphenadrine citrate.cdx
csChFnd80/07261814072D

 33 33  0  0  0  0  0  0  0  0999 V2000
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    3.6500    2.8098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6500    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8624    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2873    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (196)
1117

>  <Formula> (196)
C24H31NO8

>  <MolWeight> (196)
461.50484

>  <Item Name> (196)
Orphenadrine citrate (Norflex)

>  <Catalog Number> (196)
S2054

>  <Synonyms> (196)
N/A 

>  <Target> (196)
AChR

>  <Form> (196)
Citrate

>  <URL> (196)
http://www.selleckchem.com/products/orphenadrine-citrate-norflex.html

>  <CAS Number> (196)
4682-36-4

$$$$
Canagliflozin.cdx
csChFnd80/07261814072D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (197)
1162

>  <Formula> (197)
C24H25FO5S

>  <MolWeight> (197)
444.5157032

>  <Item Name> (197)
Canagliflozin

>  <Catalog Number> (197)
S2760 

>  <Synonyms> (197)
N/A

>  <Target> (197)
SGLT 

>  <Form> (197)
Free Base

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

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842133-18-0

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http://www.selleckchem.com/products/pf-5274857.html

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666260-75-9

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AMD3100 

>  <Target> (201)
CXCR

>  <Form> (201)
Octahydrochloride 

>  <URL> (201)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

>  <CAS Number> (201)
155148-31-5

$$$$
Rimonabant.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (202)
1190

>  <Formula> (202)
C22H21Cl3N4O

>  <MolWeight> (202)
463.78734

>  <Item Name> (202)
Rimonabant (SR141716)

>  <Catalog Number> (202)
S3021 

>  <Synonyms> (202)
N/A 

>  <Target> (202)
Cannabinoid Receptor 

>  <Form> (202)
Free Base

>  <URL> (202)
http://www.selleckchem.com/products/rimonabant-sr141716.html

>  <CAS Number> (202)
168273-06-1

$$$$
VU 0357121.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (203)
1197

>  <Formula> (203)
C17H17F2NO2

>  <MolWeight> (203)
305.3191864

>  <Item Name> (203)
VU 0357121
VU 0357121
VU 0357121

>  <Catalog Number> (203)
S2795

>  <Synonyms> (203)
N/A 

>  <Target> (203)
GluR 

>  <Form> (203)
Free Base

>  <URL> (203)
http://www.selleckchem.com/products/vu-0357121.html

>  <CAS Number> (203)
433967-28-3

$$$$
Bisoprolol Fumarate.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (204)
1232

>  <Formula> (204)
C22H35NO8

>  <MolWeight> (204)
441.5152

>  <Item Name> (204)
Bisoprolol fumarate

>  <Catalog Number> (204)
S1206

>  <Synonyms> (204)
EMD33512

>  <Target> (204)
Adrenergic Receptor

>  <Form> (204)
fumarate

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

>  <CAS Number> (204)
104344-23-2

$$$$

csChFnd80/07261814072D

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>  <Mol_ID> (205)
1239

>  <Formula> (205)
C19H24BrNO5S2

>  <MolWeight> (205)
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>  <Item Name> (205)
Tiotropium Bromide hydrate

>  <Catalog Number> (205)
S2547

>  <Synonyms> (205)
N/A 

>  <Target> (205)
AChR

>  <Form> (205)
quaternary-N bromide salt&hydr

>  <URL> (205)
http://www.selleckchem.com/products/Tiotropium-Bromide-hydrate.html

>  <CAS Number> (205)
139404-48-1

$$$$
ADX47273.cdx
csChFnd80/07261814072D

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    6.1420    6.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7975    8.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898    8.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0127    9.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4433   11.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0510   11.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2281   10.1660    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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  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  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 14 16  1  1  0  0  0
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 17 18  1  0  0  0  0
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 20 16  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (206)
1242

>  <Formula> (206)
C20H17F2N3O2

>  <MolWeight> (206)
369.3646864

>  <Item Name> (206)
ADX-47273

>  <Catalog Number> (206)
S2690

>  <Synonyms> (206)
N/A 

>  <Target> (206)
GluR

>  <Form> (206)
Free Base

>  <URL> (206)
http://www.selleckchem.com/products/adx-47273.html

>  <CAS Number> (206)
851881-60-2

$$$$
Estradiol Valerate.cdx
csChFnd80/07261814072D

 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  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
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    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8101    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    8.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    6.7302    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
   14.6430    6.7302    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  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
 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  1  0  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
M  END
>  <Mol_ID> (207)
1253

>  <Formula> (207)
C23H32O3

>  <MolWeight> (207)
356.49838

>  <Item Name> (207)
Estradiol valerate

>  <Catalog Number> (207)
S3149

>  <Synonyms> (207)
N/A 

>  <Target> (207)
Estrogen/progestogen Receptor

>  <Form> (207)
Free Base

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

>  <CAS Number> (207)
979-32-8

$$$$
Benztropine mesylate.cdx
csChFnd80/07261814072D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.1714    5.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714    4.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    3.6844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6309    3.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2383    5.2573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6309    6.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    6.8302    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6283    5.4779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6335    5.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3310    6.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6335    7.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7262    6.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3335    8.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6335   10.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2335   10.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    8.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2335    7.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4262    5.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8262    5.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5262    6.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8262    7.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4262    7.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7246    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3246    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1246    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7246    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  7  8  1  6  0  0  0
  3  8  1  6  0  0  0
  5  9  1  1  0  0  0
  9 10  1  0  0  0  0
 11  8  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 13 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 13  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (208)
1259

>  <Formula> (208)
C22H29NO4S

>  <MolWeight> (208)
403.53496

>  <Item Name> (208)
Benztropine mesylate

>  <Catalog Number> (208)
S3163

>  <Synonyms> (208)
N/A 

>  <Target> (208)
Histamine Receptor

>  <Form> (208)
Mesylate

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

>  <CAS Number> (208)
132-17-2

$$$$
Betahistine dihydrochloride.cdx
csChFnd80/07261814072D

 12 10  0  0  0  0  0  0  0  0999 V2000
   22.3586    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3586    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5710    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7835    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7835    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5710    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9337    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7213    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5089    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2178    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8178    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (209)
1261

>  <Formula> (209)
C8H14Cl2N2

>  <MolWeight> (209)
209.11616

>  <Item Name> (209)
Betahistine 2HCl

>  <Catalog Number> (209)
S3176

>  <Synonyms> (209)
N/A 

>  <Target> (209)
Histamine Receptor

>  <Form> (209)
2HCl

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

>  <CAS Number> (209)
5579-84-0

$$$$
Eletriptan hydrobromide.cdx
csChFnd80/07261814072D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.0549    1.8803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0549    4.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3863    3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5988    4.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    2.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5988    1.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3863    2.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0237    4.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2361    3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    4.4129    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1485    3.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7485    5.6254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6610    5.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8734    4.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0858    5.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0858    6.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8734    7.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6610    6.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    5.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    7.0471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    5.7681    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    8.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0101    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 12 15  1  0  0  0  0
 11 12  1  0  0  0  0
  6 10  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 21  1  1  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (210)
1264

>  <Formula> (210)
C22H27BrN2O2S

>  <MolWeight> (210)
463.43098

>  <Item Name> (210)
Eletriptan HBr

>  <Catalog Number> (210)
S3180

>  <Synonyms> (210)
N/A 

>  <Target> (210)
5-HT Receptor

>  <Form> (210)
HBr

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

>  <CAS Number> (210)
177834-92-3

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/07261814072D

 30 31  0  0  0  0  0  0  0  0999 V2000
   16.3629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2629    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0629    6.0622    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.4629    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1629    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5629    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2629    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4629    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0629    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0505    1.9124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.4753    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5629    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   19.1629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6629    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4629    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.7629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2574    3.6373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.8574    3.6373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5 14  1  0  0  0  0
  1 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  2 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 25 28  1  0  0  0  0
 21 22  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (211)
1268

>  <Formula> (211)
C21H26Cl2F3N3S

>  <MolWeight> (211)
480.4174496

>  <Item Name> (211)
Trifluoperazine 2HCl

>  <Catalog Number> (211)
S3201

>  <Synonyms> (211)
 N/A 

>  <Target> (211)
Dopamine Receptor

>  <Form> (211)
Dihydrochlorid

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

>  <CAS Number> (211)
440-17-5

$$$$
Meptazinol hydrochloride.cdx
csChFnd80/07261814072D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9900    3.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3171    3.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3071    2.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8756    1.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5295    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5396    1.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1126    3.4858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    2.9245    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0457    4.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    5.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    5.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1126    4.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740    2.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8656    0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 15 16  1  0  0  0  0
  9 15  1  0  0  0  0
  3  9  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <Mol_ID> (212)
1269

>  <Formula> (212)
C15H24ClNO

>  <MolWeight> (212)
269.81016

>  <Item Name> (212)
Meptazinol HCl

>  <Catalog Number> (212)
S3204

>  <Synonyms> (212)
N/A 

>  <Target> (212)
Opioid Receptor

>  <Form> (212)
HCl

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

>  <CAS Number> (212)
59263-76-2

$$$$
Adrenalone hydrochloride.cdx
csChFnd80/07261814072D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.3000    1.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.7302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6 13  2  0  0  0  0
M  END
>  <Mol_ID> (213)
1270

>  <Formula> (213)
C9H12ClNO3

>  <MolWeight> (213)
217.64948

>  <Item Name> (213)
Adrenalone HCl

>  <Catalog Number> (213)
S3185

>  <Synonyms> (213)
N/A 

>  <Target> (213)
Adrenergic Receptor

>  <Form> (213)
hydrochloride

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

>  <CAS Number> (213)
62-13-5

$$$$
Azacyclonol.cdx
csChFnd80/07261814072D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
  7  9  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
  7 15  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (214)
1271

>  <Formula> (214)
C18H21NO

>  <MolWeight> (214)
267.36544

>  <Item Name> (214)
Azacyclonol

>  <Catalog Number> (214)
S3196

>  <Synonyms> (214)
N/A 

>  <Target> (214)
5-HT Receptor

>  <Form> (214)
Free Base

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

>  <CAS Number> (214)
115-46-8

$$$$
Xylazine HCl.cdx
csChFnd80/07261814072D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.5184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.4184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.5184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3118    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
 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  2  0  0  0  0
M  END
>  <Mol_ID> (215)
1278

>  <Formula> (215)
C12H17ClN2S

>  <MolWeight> (215)
256.79478

>  <Item Name> (215)
Xylazine HCl

>  <Catalog Number> (215)
S2516

>  <Synonyms> (215)
N/A 

>  <Target> (215)
Adrenergic Receptor

>  <Form> (215)
Hydrochloride

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

>  <CAS Number> (215)
23076-35-9

$$$$
Catharanthine.cdx
csChFnd80/07261814072D

 27 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.3219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9778    4.3917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8990    5.4460    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6490    6.8235    0.0000 N   0  0  2  0  0  0  0  0  0  0  0  0
    5.4161    7.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1288    6.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4303    3.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8039    2.7963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7251    3.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2726    5.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7777    7.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8627    1.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6865    6.1460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1905    6.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7396    7.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2549    1.4760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4960    0.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5701    1.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  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
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 12 19  1  6  0  0  0
 16 19  1  6  0  0  0
 11 21  1  1  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 16 24  1  0  0  0  0
 10 20  1  1  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (216)
1279

>  <Formula> (216)
C21H24N2O2

>  <MolWeight> (216)
336.42746

>  <Item Name> (216)
Catharanthine

>  <Catalog Number> (216)
S3202

>  <Synonyms> (216)
N/A 

>  <Target> (216)
AChR

>  <Form> (216)
Free Base

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

>  <CAS Number> (216)
2468-21-5

$$$$
Fexofenadine HCl.cdx
csChFnd80/07261814072D

 38 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (217)
1280

>  <Formula> (217)
C32H40ClNO4

>  <MolWeight> (217)
538.1173

>  <Item Name> (217)
Fexofenadine HCl

>  <Catalog Number> (217)
S3208

>  <Synonyms> (217)
N/A 

>  <Target> (217)
Histamine Receptor

>  <Form> (217)
hydrochloride

>  <URL> (217)
http://www.selleckchem.com/products/fexofenadine-hcl.html

>  <CAS Number> (217)
153439-40-8

$$$$
ARN-509.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (218)
1285

>  <Formula> (218)
C21H15F4N5O2S

>  <MolWeight> (218)
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>  <Item Name> (218)
ARN-509

>  <Catalog Number> (218)
S2840

>  <Synonyms> (218)
N/A 

>  <Target> (218)
Adrenergic Receptor

>  <Form> (218)
Free Base

>  <URL> (218)
http://www.selleckchem.com/products/arn-509.html

>  <CAS Number> (218)
956104-40-8

$$$$
Azilsartan.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (219)
1291

>  <Formula> (219)
C25H20N4O5

>  <MolWeight> (219)
456.4501

>  <Item Name> (219)
Azilsartan (TAK-536)

>  <Catalog Number> (219)
S3046

>  <Synonyms> (219)
N/A 

>  <Target> (219)
RAAS

>  <Form> (219)
Free Base

>  <URL> (219)
http://www.selleckchem.com/products/azilsartan-tak-536.html

>  <CAS Number> (219)
147403-03-0

$$$$
BML-190.cdx
csChFnd80/07261814072D

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  1 30  2  0  0  0  0
M  END
>  <Mol_ID> (220)
1293

>  <Formula> (220)
C23H23ClN2O4

>  <MolWeight> (220)
426.89272

>  <Item Name> (220)
BML-190

>  <Catalog Number> (220)
S2854

>  <Synonyms> (220)
Indomethacin Morpholinylamide 

>  <Target> (220)
Cannabinoid Receptor

>  <Form> (220)
Free Base

>  <URL> (220)
http://www.selleckchem.com/products/bml-190.html

>  <CAS Number> (220)
2854-32-2

$$$$
Equol.cdx
csChFnd80/07261814072D

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   11.9000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  2 12  1  1  0  0  0
M  END
>  <Mol_ID> (221)
1296

>  <Formula> (221)
C15H14O3

>  <MolWeight> (221)
242.26986

>  <Item Name> (221)
Equol

>  <Catalog Number> (221)
S2450

>  <Synonyms> (221)
N/A 

>  <Target> (221)
Estrogen/progestogen Receptor

>  <Form> (221)
Free Base

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

>  <CAS Number> (221)
531-95-3

$$$$
SB-269970 HCl.cdx
csChFnd80/07261814072D

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 15 18  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (222)
1298

>  <Formula> (222)
C18H29ClN2O3S

>  <MolWeight> (222)
388.95246

>  <Item Name> (222)
SB-269970 HCl

>  <Catalog Number> (222)
S2849

>  <Synonyms> (222)
N/A 

>  <Target> (222)
5-HT Receptor

>  <Form> (222)
Hydrochloride

>  <URL> (222)
http://www.selleckchem.com/products/sb-269970-hcl.html

>  <CAS Number> (222)
261901-57-9

$$$$
AM251.cdx
csChFnd80/07261814072D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.4544    3.2916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    2.8590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    5.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    4.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    5.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (223)
1299

>  <Formula> (223)
C22H21Cl2IN4O

>  <MolWeight> (223)
555.23881

>  <Item Name> (223)
AM251

>  <Catalog Number> (223)
S2819

>  <Synonyms> (223)
N/A 

>  <Target> (223)
Cannabinoid Receptor

>  <Form> (223)
Free Base

>  <URL> (223)
http://www.selleckchem.com/products/am251.html

>  <CAS Number> (223)
183232-66-8

$$$$
Otilonium Bromide.cdx
csChFnd80/07261814072D

 36 36  0  0  0  0  0  0  0  0999 V2000
   20.6114    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> (224)
1301

>  <Formula> (224)
C29H43BrN2O4

>  <MolWeight> (224)
563.56672

>  <Item Name> (224)
Otilonium Bromide

>  <Catalog Number> (224)
S3047

>  <Synonyms> (224)
N/A

>  <Target> (224)
AChR

>  <Form> (224)
quaternary-N bromide salt

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

>  <CAS Number> (224)
26095-59-0

$$$$
Palonosetron HCl.cdx
csChFnd80/07261814072D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (225)
1302

>  <Formula> (225)
C19H25ClN2O

>  <MolWeight> (225)
332.8676

>  <Item Name> (225)
Palonosetron HCl

>  <Catalog Number> (225)
S3050

>  <Synonyms> (225)
N/A 

>  <Target> (225)
5-HT Receptor

>  <Form> (225)
HCL

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

>  <CAS Number> (225)
135729-62-3

$$$$
Bosentan hydrate.cdx
csChFnd80/07261814072D

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 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (226)
1309

>  <Formula> (226)
C27H31N5O7S

>  <MolWeight> (226)
569.62934

>  <Item Name> (226)
Bosentan Hydrate

>  <Catalog Number> (226)
S3051

>  <Synonyms> (226)
N/A

>  <Target> (226)
ETA Receptor

>  <Form> (226)
Hydrate

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

>  <CAS Number> (226)
157212-55-0

$$$$
VUF 10166.cdx
csChFnd80/07261814072D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    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
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (227)
1311

>  <Formula> (227)
C13H15ClN4

>  <MolWeight> (227)
262.738

>  <Item Name> (227)
VUF 10166

>  <Catalog Number> (227)
S2865

>  <Synonyms> (227)
N/A

>  <Target> (227)
5-HT Receptor

>  <Form> (227)
Free Base

>  <URL> (227)
http://www.selleckchem.com/products/vuf-10166.html

>  <CAS Number> (227)
155584-74-0

$$$$
Alverine citrate.cdx
csChFnd80/07261814072D

 34 34  0  0  0  0  0  0  0  0999 V2000
   10.9119    7.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    7.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
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 24 31  1  0  0  0  0
 23 34  1  0  0  0  0
M  END
>  <Mol_ID> (228)
1312

>  <Formula> (228)
C26H35NO7

>  <MolWeight> (228)
473.5586

>  <Item Name> (228)
Alverine Citrate

>  <Catalog Number> (228)
S3054

>  <Synonyms> (228)
N/A

>  <Target> (228)
OX Receptor

>  <Form> (228)
Citrate

>  <URL> (228)
http://www.selleckchem.com/products/alverine-citrate.html

>  <CAS Number> (228)
5560-59-8

$$$$
Solifenacin succinate.cdx
csChFnd80/07261814072D

 36 39  0  0  0  0  0  0  0  0999 V2000
    4.2000    6.0137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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AChR

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Succinate

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

>  <CAS Number> (229)
242478-38-2

$$$$
Forskolin.cdx
csChFnd80/07261814072D

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1316

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C22H34O7

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Forskolin

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S2449

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Coleonol

>  <Target> (230)
cAMP

>  <Form> (230)
Free Base

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

>  <CAS Number> (230)
66575-29-9

$$$$
Pircetam.cdx
csChFnd80/07261814072D

 10 10  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (231)
1327

>  <Formula> (231)
C6H10N2O2

>  <MolWeight> (231)
142.1558

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Piracetam

>  <Catalog Number> (231)
S3070

>  <Synonyms> (231)
N/A

>  <Target> (231)
GluR

>  <Form> (231)
Free Base

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

>  <CAS Number> (231)
7491-74-9

$$$$
(R)-baclofen.cdx
csChFnd80/07261814072D

 14 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (232)
1329

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C10H12ClNO2

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213.66078

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(R)-baclofen

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S3072

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N/A

>  <Target> (232)
GABA Receptor

>  <Form> (232)
Free Base

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

>  <CAS Number> (232)
69308-37-8

$$$$
Dexmedetomidine.cdx
csChFnd80/07261814072D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (233)
1330

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C13H16N2

>  <MolWeight> (233)
200.27954

>  <Item Name> (233)
Dexmedetomidine

>  <Catalog Number> (233)
S3075

>  <Synonyms> (233)
N/A

>  <Target> (233)
Adrenergic Receptor

>  <Form> (233)
Free Base

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

>  <CAS Number> (233)
113775-47-6

$$$$
MRS 2578.cdx
csChFnd80/07261814072D

 30 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (234)
1340

>  <Formula> (234)
C20H20N6S4

>  <MolWeight> (234)
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>  <Item Name> (234)
MRS 2578

>  <Catalog Number> (234)
S2855

>  <Synonyms> (234)
N/A

>  <Target> (234)
P2 Receptor

>  <Form> (234)
Free Base

>  <URL> (234)
http://www.selleckchem.com/products/mrs-2578.html

>  <CAS Number> (234)
711019-86-2

$$$$
Rupatadine fumarate.cdx
csChFnd80/07261814072D

 38 41  0  0  0  0  0  0  0  0999 V2000
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1342

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Rupatadine Fumarate

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S3052

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N/A

>  <Target> (235)
Histamine Receptor

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Fumarate

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

>  <CAS Number> (235)
182349-12-8

$$$$
VU 0364770.cdx
csChFnd80/07261814072D

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1344

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C12H9ClN2O

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S2862

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N/A

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GluR

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Free Base

>  <URL> (236)
http://www.selleckchem.com/products/vu-0364770.html

>  <CAS Number> (236)
61350-00-3

$$$$
IEM 1754 dihydrobroMide.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (237)
1349

>  <Formula> (237)
C16H32Br2N2

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>  <Item Name> (237)
IEM 1754 dihydrobroMide

>  <Catalog Number> (237)
S2860

>  <Synonyms> (237)
N/A

>  <Target> (237)
5-HT Receptor

>  <Form> (237)
DihydrobroMide

>  <URL> (237)
http://www.selleckchem.com/products/iem-1754-dihydrobromide.html

>  <CAS Number> (237)
162831-31-4

$$$$
Indacaterol Maleate.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (238)
1353

>  <Formula> (238)
C28H32N2O7

>  <MolWeight> (238)
508.56288

>  <Item Name> (238)
Indacaterol Maleate

>  <Catalog Number> (238)
S3083

>  <Synonyms> (238)
N/A

>  <Target> (238)
Adrenergic Receptor

>  <Form> (238)
Maleate

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

>  <CAS Number> (238)
753498-25-8

$$$$
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csChFnd80/07261814072D

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 10  5  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (244)
1379

>  <Formula> (244)
C18H20ClNOS

>  <MolWeight> (244)
333.8755

>  <Item Name> (244)
Duloxetine HCl (Cymbalta)

>  <Catalog Number> (244)
S2084

>  <Synonyms> (244)
N/A

>  <Target> (244)
5-HT Receptor

>  <Form> (244)
HCl

>  <URL> (244)
http://www.selleckchem.com/products/duloxetine-hcl-cymbalta.html

>  <CAS Number> (244)
136434-34-9

$$$$
Almotriptan malate.cdx
csChFnd80/07261814072D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.8404    4.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
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 15  9  1  0  0  0  0
  4 16  1  0  0  0  0
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 17 18  2  0  0  0  0
 18  5  1  0  0  0  0
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 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (245)
1380

>  <Formula> (245)
C21H31N3O7S

>  <MolWeight> (245)
469.55174

>  <Item Name> (245)
Almotriptan malate (Axert)

>  <Catalog Number> (245)
S2096

>  <Synonyms> (245)
N/A

>  <Target> (245)
5-HT Receptor

>  <Form> (245)
Malate

>  <URL> (245)
http://www.selleckchem.com/products/almotriptan-malate-axert.html

>  <CAS Number> (245)
181183-52-8

$$$$
Azasetron hydrochloride.cdx
csChFnd80/07261814072D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4528    8.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6652    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0901    6.3078    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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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  2  0  0  0  0
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 14 15  2  0  0  0  0
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 18 24  1  0  0  0  0
 24 23  1  0  0  0  0
 23 16  1  0  0  0  0
M  END
>  <Mol_ID> (246)
1381

>  <Formula> (246)
C17H21Cl2N3O3

>  <MolWeight> (246)
386.27294

>  <Item Name> (246)
Azasetron HCl

>  <Catalog Number> (246)
S2106

>  <Synonyms> (246)
N/A

>  <Target> (246)
5-HT Receptor

>  <Form> (246)
HCl

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

>  <CAS Number> (246)
123040-16-4

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/07261814072D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.2123    4.9146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2123    3.5146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4248    2.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6372    3.5146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0  0  0  0
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 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (247)
1383

>  <Formula> (247)
C19H21ClFNO3

>  <MolWeight> (247)
365.8263432

>  <Item Name> (247)
Paroxetine HCl

>  <Catalog Number> (247)
S3005

>  <Synonyms> (247)
N/A

>  <Target> (247)
5-HT Receptor

>  <Form> (247)
Hydrochloride

>  <URL> (247)
http://www.selleckchem.com/products/paroxetine-hcl.html

>  <CAS Number> (247)
78246-49-8

$$$$
Ivabradine hydrocloride.cdx
csChFnd80/07261814072D

 35 37  0  0  0  0  0  0  0  0999 V2000
    8.0762   17.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (248)
1385

>  <Formula> (248)
C27H37ClN2O5

>  <MolWeight> (248)
505.04608

>  <Item Name> (248)
Ivabradine HCl (Procoralan)

>  <Catalog Number> (248)
S2086

>  <Synonyms> (248)
N/A

>  <Target> (248)
Adrenergic Receptor

>  <Form> (248)
HCl

>  <URL> (248)
http://www.selleckchem.com/products/ivabradine-hcl-procoralan.html

>  <CAS Number> (248)
148849-67-6

$$$$
Betaxolol.cdx
csChFnd80/07261814072D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (249)
1386

>  <Formula> (249)
C18H29NO3

>  <MolWeight> (249)
307.42776

>  <Item Name> (249)
Betaxolol (Betoptic)

>  <Catalog Number> (249)
S2091

>  <Synonyms> (249)
N/A

>  <Target> (249)
Adrenergic Receptor

>  <Form> (249)
Free Base

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

>  <CAS Number> (249)
659-18-7

$$$$
Detomidine hydrochloride.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (250)
1387

>  <Formula> (250)
C12H15ClN2

>  <MolWeight> (250)
222.7139

>  <Item Name> (250)
Detomidine HCl

>  <Catalog Number> (250)
S2092

>  <Synonyms> (250)
N/A

>  <Target> (250)
Adrenergic Receptor

>  <Form> (250)
HCl

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

>  <CAS Number> (250)
90038-01-0

$$$$
Cisatracurium besylate.cdx
csChFnd80/07261814072D

 87 92  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (251)
1388

>  <Formula> (251)
C65H82N2O18S2

>  <MolWeight> (251)
1243.47918

>  <Item Name> (251)
Cisatracurium besylate (Nimbex)

>  <Catalog Number> (251)
S2113

>  <Synonyms> (251)
N/A

>  <Target> (251)
Adrenergic Receptor

>  <Form> (251)
Besylate

>  <URL> (251)
http://www.selleckchem.com/products/cisatracurium-besylate-nimbex.html

>  <CAS Number> (251)
96946-42-8

$$$$
Levosulpiride.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (252)
1389

>  <Formula> (252)
C15H23N3O4S

>  <MolWeight> (252)
341.42582

>  <Item Name> (252)
Levosulpiride (Levogastrol)

>  <Catalog Number> (252)
S2104

>  <Synonyms> (252)
N/A

>  <Target> (252)
Dopamine Receptor   

>  <Form> (252)
Free Base

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

>  <CAS Number> (252)
23672-07-3

$$$$
Trimebutine.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (253)
1390

>  <Formula> (253)
C22H29NO5

>  <MolWeight> (253)
387.46936

>  <Item Name> (253)
Trimebutine

>  <Catalog Number> (253)
S2085

>  <Synonyms> (253)
N/A

>  <Target> (253)
Opioid Receptor

>  <Form> (253)
Free Base

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

>  <CAS Number> (253)
39133-31-8

$$$$
Naltrexone hydrochloride.cdx
csChFnd80/07261814072D

 26 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> (254)
1391

>  <Formula> (254)
C20H24ClNO4

>  <MolWeight> (254)
377.86186

>  <Item Name> (254)
Naltrexone HCl

>  <Catalog Number> (254)
S2103

>  <Synonyms> (254)
N/A

>  <Target> (254)
Opioid Receptor

>  <Form> (254)
HCl

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

>  <CAS Number> (254)
16676-29-2

$$$$
Mozavaptan.cdx
csChFnd80/07261814072D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (255)
1392

>  <Formula> (255)
C27H29N3O2

>  <MolWeight> (255)
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>  <Item Name> (255)
Mozavaptan

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S2920

>  <Synonyms> (255)
N/A

>  <Target> (255)
Others

>  <Form> (255)
Free Base

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

>  <CAS Number> (255)
137975-06-5

$$$$
WZ 811.cdx
csChFnd80/07261814072D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (256)
1401

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WZ 811

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N/A

>  <Target> (256)
CXCR

>  <Form> (256)
Free Base

>  <URL> (256)
http://www.selleckchem.com/products/wz-811.html

>  <CAS Number> (256)
55778-02-4

$$$$
Ki16198.cdx
csChFnd80/07261814072D

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1403

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C24H25ClN2O5S

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Ki16198

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S2906

>  <Synonyms> (257)
N/A 

>  <Target> (257)
LPA Receptor

>  <Form> (257)
Free Base

>  <URL> (257)
http://www.selleckchem.com/products/ki16198.html

>  <CAS Number> (257)
355025-13-7

$$$$
Melatonin.cdx
csChFnd80/07261814072D

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1408

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C13H16N2O2

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Melatonin

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S1204

>  <Synonyms> (258)
Melatonex

>  <Target> (258)
MT Receptor

>  <Form> (258)
Free Base

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

>  <CAS Number> (258)
73-31-4

$$$$
Fluvoxamine maleate.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (259)
1410

>  <Formula> (259)
C19H25F3N2O6

>  <MolWeight> (259)
434.4068096

>  <Item Name> (259)
Fluvoxamine maleate

>  <Catalog Number> (259)
S1336

>  <Synonyms> (259)
Luvox

>  <Target> (259)
5-HT Receptor

>  <Form> (259)
Maleate

>  <URL> (259)
http://www.selleckchem.com/products/Fluvoxamine-maleate.html

>  <CAS Number> (259)
61718-82-9

$$$$
Prazosin hydrochloride.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (260)
1414

>  <Formula> (260)
C19H22ClN5O4

>  <MolWeight> (260)
419.86208

>  <Item Name> (260)
Prazosin HCl

>  <Catalog Number> (260)
S1424

>  <Synonyms> (260)
Minipress,Vasoflex,Pressin and Hypovase

>  <Target> (260)
Others

>  <Form> (260)
Hydrochloride

>  <URL> (260)
http://www.selleckchem.com/products/Prazosin-hydrochloride.html

>  <CAS Number> (260)
19237-84-4

$$$$
Tizanidine hydrochloride.cdx
csChFnd80/07261814072D

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 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (261)
1423

>  <Formula> (261)
C9H9Cl2N5S

>  <MolWeight> (261)
290.17226

>  <Item Name> (261)
Tizanidine HCl

>  <Catalog Number> (261)
S1437

>  <Synonyms> (261)
Zanaflex, Sirdalud

>  <Target> (261)
Adrenergic Receptor

>  <Form> (261)
Hydrochloride

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

>  <CAS Number> (261)
64461-82-1

$$$$
CAVERJECT (alprostadil).cdx
csChFnd80/07261814072D

 25 25  0  0  0  0  0  0  0  0999 V2000
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   10.6414    5.5903    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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 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
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  1  6  1  6  0  0  0
 21 23  1  6  0  0  0
  7 24  1  6  0  0  0
 18 25  2  0  0  0  0
  2  3  1  1  0  0  0
M  END
>  <Mol_ID> (262)
1428

>  <Formula> (262)
C20H34O5

>  <MolWeight> (262)
354.48096

>  <Item Name> (262)
Alprostadil(Caverject)

>  <Catalog Number> (262)
S1508

>  <Synonyms> (262)
Prostaglandin E1, Edex, Muse, Liprostin

>  <Target> (262)
Immunology & Inflammation related

>  <Form> (262)
Free Base

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

>  <CAS Number> (262)
745-65-3

$$$$
Roxatidine acetate hydrochloride.cdx
csChFnd80/07261814072D

 26 26  0  0  0  0  0  0  0  0999 V2000
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   19.3527    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    1.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    5.2160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13  3  1  0  0  0  0
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 14 15  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 19 25  2  0  0  0  0
M  END
>  <Mol_ID> (263)
1431

>  <Formula> (263)
C19H29ClN2O4

>  <MolWeight> (263)
384.89756

>  <Item Name> (263)
Roxatidine acetate HCl

>  <Catalog Number> (263)
S1880

>  <Synonyms> (263)
N/A

>  <Target> (263)
Histamine Receptor

>  <Form> (263)
Hydrochloride

>  <URL> (263)
http://www.selleckchem.com/products/roxatidine-acetate-hcl.html

>  <CAS Number> (263)
93793-83-0

$$$$
MYDRIACYL (tropicamide).cdx
csChFnd80/07261814072D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  3  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
    4.8413    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
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M  END
>  <Mol_ID> (264)
1435

>  <Formula> (264)
C17H20N2O2

>  <MolWeight> (264)
284.3529

>  <Item Name> (264)
Tropicamide

>  <Catalog Number> (264)
S1913

>  <Synonyms> (264)
N/A

>  <Target> (264)
AChR

>  <Form> (264)
Free Base

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

>  <CAS Number> (264)
1508-75-4

$$$$
Lafutidine.cdx
csChFnd80/07261814072D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (265)
1450

>  <Formula> (265)
C22H29N3O4S

>  <MolWeight> (265)
431.54836

>  <Item Name> (265)
Lafutidine

>  <Catalog Number> (265)
S2065

>  <Synonyms> (265)
N/A

>  <Target> (265)
Histamine Receptor

>  <Form> (265)
Free Base

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

>  <CAS Number> (265)
118288-08-7

$$$$
Moxonidine.cdx
csChFnd80/07261814072D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (266)
1451

>  <Formula> (266)
C9H12ClN5O

>  <MolWeight> (266)
241.67748

>  <Item Name> (266)
Moxonidine

>  <Catalog Number> (266)
S2066

>  <Synonyms> (266)
N/A

>  <Target> (266)
Others

>  <Form> (266)
Free Base

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

>  <CAS Number> (266)
75438-57-2

$$$$
LIQUID PRED (Lisinopril).cdx
csChFnd80/07261814072D

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4333    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    7.0849    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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 13 15  1  0  0  0  0
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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (267)
1455

>  <Formula> (267)
C21H31N3O5

>  <MolWeight> (267)
405.48794

>  <Item Name> (267)
Lisinopril (Zestril)

>  <Catalog Number> (267)
S2076

>  <Synonyms> (267)
Prinivil

>  <Target> (267)
RAAS

>  <Form> (267)
Free Base

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

>  <CAS Number> (267)
83915-83-7

$$$$
Famotidine.cdx
csChFnd80/07261814072D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.7354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5347    1.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  6  7  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16  9  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
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M  END
>  <Mol_ID> (268)
1457

>  <Formula> (268)
C8H15N7O2S3

>  <MolWeight> (268)
337.4454

>  <Item Name> (268)
Famotidine (Pepcid)

>  <Catalog Number> (268)
S2078

>  <Synonyms> (268)
N/A

>  <Target> (268)
Histamine Receptor

>  <Form> (268)
Free Base

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

>  <CAS Number> (268)
76824-35-6

$$$$
Fosinopril sodium.cdx
csChFnd80/07261814072D

 40 41  0  0  0  0  0  0  0  0999 V2000
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   10.8116   16.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6034   18.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8116   14.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 27  1  0  0  0  0
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 30 16  1  0  0  0  0
 27 31  1  1  0  0  0
 31 32  1  0  0  0  0
 31 34  2  0  0  0  0
 29 35  1  6  0  0  0
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  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (269)
1465

>  <Formula> (269)
C30H45NNaO7P

>  <MolWeight> (269)
585.644331

>  <Item Name> (269)
Fosinopril sodium (Monopril)

>  <Catalog Number> (269)
S2095

>  <Synonyms> (269)
N/A

>  <Target> (269)
RAAS

>  <Form> (269)
Sodium Salt

>  <URL> (269)
http://www.selleckchem.com/products/fosinopril-sodium-monopril.html

>  <CAS Number> (269)
88889-14-9

$$$$
Ambrisentan.cdx
csChFnd80/07261814072D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8413    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6331    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14  8  1  0  0  0  0
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 19  9  1  0  0  0  0
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 26  3  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (270)
1466

>  <Formula> (270)
C22H22N2O4

>  <MolWeight> (270)
378.42108

>  <Item Name> (270)
Ambrisentan

>  <Catalog Number> (270)
S2097

>  <Synonyms> (270)
N/A

>  <Target> (270)
Endothelin Receptor

>  <Form> (270)
Free Base

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

>  <CAS Number> (270)
177036-94-1

$$$$
Conivaptan hydrochloride.cdx
csChFnd80/07261814072D

 39 43  0  0  0  0  0  0  0  0999 V2000
    4.8455    5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (271)
1476

>  <Formula> (271)
C32H27ClN4O2

>  <MolWeight> (271)
535.03538

>  <Item Name> (271)
Conivaptan HCl (Vaprisol)

>  <Catalog Number> (271)
S2116

>  <Synonyms> (271)
N/A

>  <Target> (271)
Vasopressin Receptor

>  <Form> (271)
HCl

>  <URL> (271)
http://www.selleckchem.com/products/conivaptan-hcl-vaprisol.html

>  <CAS Number> (271)
168626-94-6

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (272)
1484

>  <Formula> (272)
C24H30F2O6

>  <MolWeight> (272)
452.4882064

>  <Item Name> (272)
Fluocinolone acetonide (Flucort-N)

>  <Catalog Number> (272)
S2470

>  <Synonyms> (272)
Flucort-N

>  <Target> (272)
Glucocorticoid Receptor

>  <Form> (272)
Free Base

>  <URL> (272)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

>  <CAS Number> (272)
67-73-2

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (273)
1485

>  <Formula> (273)
C18H23Cl2NO

>  <MolWeight> (273)
340.28732

>  <Item Name> (273)
Phenoxybenzamine HCl

>  <Catalog Number> (273)
S2499

>  <Synonyms> (273)
N/A

>  <Target> (273)
Androgen Receptor

>  <Form> (273)
HCl

>  <URL> (273)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

>  <CAS Number> (273)
63-92-3

$$$$
Xylometazoline hydrochloride.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (274)
1492

>  <Formula> (274)
C16H25ClN2

>  <MolWeight> (274)
280.8361

>  <Item Name> (274)
Xylometazoline HCl

>  <Catalog Number> (274)
S2576

>  <Synonyms> (274)
N/A

>  <Target> (274)
Adrenergic Receptor

>  <Form> (274)
HCl

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

>  <CAS Number> (274)
1218-35-5

$$$$
Niflumic acid.cdx
csChFnd80/07261814072D

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 10 11  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (275)
1502

>  <Formula> (275)
C13H9F3N2O2

>  <MolWeight> (275)
282.2179696

>  <Item Name> (275)
Niflumic acid

>  <Catalog Number> (275)
S3018

>  <Synonyms> (275)
N/A

>  <Target> (275)
GABA Receptor

>  <Form> (275)
Free Base

>  <URL> (275)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (275)
4394-00-7

$$$$
CGS-21680 hydrochloride.cdx
csChFnd80/07261814072D

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 11  9  1  1  0  0  0
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 14 35  1  6  0  0  0
 15 36  1  6  0  0  0
M  END
>  <Mol_ID> (276)
1522

>  <Formula> (276)
C23H30ClN7O6

>  <MolWeight> (276)
535.9806

>  <Item Name> (276)
CGS 21680 HCl

>  <Catalog Number> (276)
S2153

>  <Synonyms> (276)
N/A

>  <Target> (276)
5-alpha Reductase

>  <Form> (276)
Hydrochloride

>  <URL> (276)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

>  <CAS Number> (276)
124431-80-7

$$$$
Epiandrosterone.cdx
csChFnd80/07261814072D

 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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 13 14  1  0  0  0  0
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 17 25  2  0  0  0  0
M  END
>  <Mol_ID> (277)
1523

>  <Formula> (277)
C19H30O2

>  <MolWeight> (277)
290.4403

>  <Item Name> (277)
Epiandrosterone (3¦Â-androsterone)

>  <Catalog Number> (277)
S2832

>  <Synonyms> (277)
N/A

>  <Target> (277)
Estrogen/progestogen Receptor

>  <Form> (277)
Free Base

>  <URL> (277)
http://www.selleckchem.com/products/epiandrosterone-3beta-androsterone.html

>  <CAS Number> (277)
481-29-8

$$$$

csChFnd80/07261814072D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   10.0299    3.3158    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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 12  7  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (278)
1525

>  <Formula> (278)
C22H23ClKN6O

>  <MolWeight> (278)
462.00892

>  <Item Name> (278)
Losartan potassium

>  <Catalog Number> (278)
S1359

>  <Synonyms> (278)
Cozaar

>  <Target> (278)
RAAS

>  <Form> (278)
Potassium salt

>  <URL> (278)
http://www.selleckchem.com/products/losartan-potassium.html

>  <CAS Number> (278)
124750-99-8

$$$$
Arecoline hydrobromide.cdx
csChFnd80/07261814072D

 12 11  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
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (279)
1529

>  <Formula> (279)
C8H14BrNO2

>  <MolWeight> (279)
236.10626

>  <Item Name> (279)
Arecoline HBr

>  <Catalog Number> (279)
S2614

>  <Synonyms> (279)
N/A

>  <Target> (279)
AChR

>  <Form> (279)
HBr

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

>  <CAS Number> (279)
300-08-3 

$$$$
CP 945598 hydrochloride.cdx
csChFnd80/07261814072D

 36 39  0  0  0  0  0  0  0  0999 V2000
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   14.3991    7.9946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0931    6.6641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4052    7.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4842    6.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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CP-945598 HCl

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S8012

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N/A

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Cannabinoid Receptor

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Hydrochloride

>  <URL> (280)
http://www.selleckchem.com/products/cp-945598-hcl.html

>  <CAS Number> (280)
686347-12-6

$$$$
GW 9508.cdx
csChFnd80/07261814072D

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S8014

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N/A

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GPR

>  <Form> (281)
Free Base

>  <URL> (281)
http://www.selleckchem.com/products/gw9508.html

>  <CAS Number> (281)
885101-89-3

$$$$
Pergolide mesylate salt.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (282)
1541

>  <Formula> (282)
C20H30N2O3S2

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410.5938

>  <Item Name> (282)
Pergolide mesylate

>  <Catalog Number> (282)
S4000

>  <Synonyms> (282)
N/A

>  <Target> (282)
Dopamine Receptor

>  <Form> (282)
Mesylate

>  <URL> (282)
http://www.selleckchem.com/products/Pergolide-mesylate.html

>  <CAS Number> (282)
66104-23-2

$$$$
Lu AA21004(vortioxetine).cdx
csChFnd80/07261814072D

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>  <Mol_ID> (283)
1543

>  <Formula> (283)
C18H23BrN2S

>  <MolWeight> (283)
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>  <Item Name> (283)
Vortioxetine (Lu AA21004) hydrobromide

>  <Catalog Number> (283)
S8021

>  <Synonyms> (283)
N/A

>  <Target> (283)
5-HT Receptor

>  <Form> (283)
Hydrobromide

>  <URL> (283)
http://www.selleckchem.com/products/vortioxetine-lu-aa21004-hydrobromide.html

>  <CAS Number> (283)
960203-27-4

$$$$
PRX-08066 maleate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (284)
1545

>  <Formula> (284)
C23H21ClFN5O4S

>  <MolWeight> (284)
517.9603432

>  <Item Name> (284)
PRX-08066 Maleic acid

>  <Catalog Number> (284)
S8010

>  <Synonyms> (284)
N/A

>  <Target> (284)
5-HT Receptor

>  <Form> (284)
Maleate

>  <URL> (284)
http://www.selleckchem.com/products/prx-08066.html

>  <CAS Number> (284)
866206-55-5

$$$$
Plerixafor.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (285)
1549

>  <Formula> (285)
C28H54N8

>  <MolWeight> (285)
502.78196

>  <Item Name> (285)
Plerixafor

>  <Catalog Number> (285)
S8030

>  <Synonyms> (285)
N/A

>  <Target> (285)
CXCR

>  <Form> (285)
Free Base

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

>  <CAS Number> (285)
110078-46-1

$$$$
acebutolol hydrochloride.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (286)
1558

>  <Formula> (286)
C18H29ClN2O4

>  <MolWeight> (286)
372.88686

>  <Item Name> (286)
Acebutolol HCl

>  <Catalog Number> (286)
S4010

>  <Synonyms> (286)
N/A

>  <Target> (286)
Adrenergic Receptor

>  <Form> (286)
Hydrochloride

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

>  <CAS Number> (286)
34381-68-5

$$$$
Mirabegron.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (287)
1563

>  <Formula> (287)
C21H24N4O2S

>  <MolWeight> (287)
396.50586

>  <Item Name> (287)
Mirabegron (YM178)

>  <Catalog Number> (287)
S4009

>  <Synonyms> (287)
N/A

>  <Target> (287)
Adrenergic Receptor

>  <Form> (287)
Free Base

>  <URL> (287)
http://www.selleckchem.com/products/mirabegron-ym178.html

>  <CAS Number> (287)
223673-61-8

$$$$
NSC23766.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (288)
1564

>  <Formula> (288)
C24H38Cl3N7

>  <MolWeight> (288)
530.96442

>  <Item Name> (288)
NSC 23766

>  <Catalog Number> (288)
S8031

>  <Synonyms> (288)
N/A

>  <Target> (288)
Rac

>  <Form> (288)
HCl

>  <URL> (288)
http://www.selleckchem.com/products/nsc-23766.html

>  <CAS Number> (288)
1177865-17-6

$$$$
Pemirolast potassium.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (289)
1565

>  <Formula> (289)
C10H7KN6O

>  <MolWeight> (289)
266.30048

>  <Item Name> (289)
Pemirolast (BMY 26517) potassium

>  <Catalog Number> (289)
S4008

>  <Synonyms> (289)
TWT-8152

>  <Target> (289)
Histamine Receptor

>  <Form> (289)
Potassium

>  <URL> (289)
http://www.selleckchem.com/products/pemirolast-bmy-26517-potassium.html

>  <CAS Number> (289)
100299-08-9

$$$$
Hyoscyamine (L).cdx
csChFnd80/07261814072D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  6  0  0  0
M  END
>  <Mol_ID> (290)
1568

>  <Formula> (290)
C17H23NO3

>  <MolWeight> (290)
289.36942

>  <Item Name> (290)
Hyoscyamine (Daturine)

>  <Catalog Number> (290)
S4014

>  <Synonyms> (290)
N/A

>  <Target> (290)
AChR

>  <Form> (290)
Free Base

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

>  <CAS Number> (290)
101-31-5

$$$$
(+)-Bicuculline.cdx
csChFnd80/07261814072D

 29 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (291)
1573

>  <Formula> (291)
C20H17NO6

>  <MolWeight> (291)
367.35208

>  <Item Name> (291)
(+)-Bicuculline

>  <Catalog Number> (291)
S7071

>  <Synonyms> (291)
D-Bicuculline

>  <Target> (291)
GABA Receptor

>  <Form> (291)
Free Base

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

>  <CAS Number> (291)
485-49-4

$$$$
N-Methyl-D-aspartic acid£¨NMDA£©.cdx
csChFnd80/07261814072D

 10  9  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (292)
1575

>  <Formula> (292)
C5H9NO4

>  <MolWeight> (292)
147.12926

>  <Item Name> (292)
NMDA (N-Methyl-D-aspartic acid)

>  <Catalog Number> (292)
S7072

>  <Synonyms> (292)
N/A

>  <Target> (292)
GluR

>  <Form> (292)
Free Base

>  <URL> (292)
http://www.selleckchem.com/products/nmda-n-methyl-d-aspartic-acid.html

>  <CAS Number> (292)
6384-92-5

$$$$
sertraline hydrochloride.cdx
csChFnd80/07261814072D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (293)
1591

>  <Formula> (293)
C17H18Cl3N

>  <MolWeight> (293)
342.69052

>  <Item Name> (293)
Sertraline HCl

>  <Catalog Number> (293)
S4053

>  <Synonyms> (293)
N/A

>  <Target> (293)
5-HT Receptor

>  <Form> (293)
HCl

>  <URL> (293)
http://www.selleckchem.com/products/sertraline-hcl.html

>  <CAS Number> (293)
79559-97-0

$$$$
Empagliflozin (BI10773).cdx
csChFnd80/07261814072D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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 18 21  1  0  0  0  0
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  3 28  1  1  0  0  0
  2 29  1  6  0  0  0
  4 30  1  6  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (294)
1606

>  <Formula> (294)
C23H27ClO7

>  <MolWeight> (294)
450.90928

>  <Item Name> (294)
Empagliflozin (BI10773)

>  <Catalog Number> (294)
S8022

>  <Synonyms> (294)
N/A

>  <Target> (294)
SGLT

>  <Form> (294)
Free Base

>  <URL> (294)
http://www.selleckchem.com/products/empagliflozin-bi10773.html

>  <CAS Number> (294)
864070-44-0

$$$$
norethindrone.cdx
csChFnd80/07261814072D

 26 29  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0117    3.2037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6383    3.0814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 23  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  1  0  0  0
  4 10  1  0  0  0  0
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  5 12  1  1  0  0  0
  5 10  1  0  0  0  0
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  8 13  1  0  0  0  0
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 11 16  3  0  0  0  0
 14 17  1  0  0  0  0
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 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (295)
1608

>  <Formula> (295)
C20H26O2

>  <MolWeight> (295)
298.41924

>  <Item Name> (295)
Norethindrone (Norethisterone)

>  <Catalog Number> (295)
S4040

>  <Synonyms> (295)
N/A

>  <Target> (295)
Others

>  <Form> (295)
Free Base

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

>  <CAS Number> (295)
68-22-4

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/07261814072D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.9656    4.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9656    3.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    2.6027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    4.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    2.2152    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5579    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9832    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926    0.0165    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  4  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
  7 12  2  0  0  0  0
 13 14  2  0  0  0  0
 15  8  2  0  0  0  0
  8  7  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (296)
1610

>  <Formula> (296)
C13H17ClN2

>  <MolWeight> (296)
236.74048

>  <Item Name> (296)
Tetrahydrozoline HCl

>  <Catalog Number> (296)
S4043

>  <Synonyms> (296)
N/A

>  <Target> (296)
Adrenergic Receptor

>  <Form> (296)
hydrochloride

>  <URL> (296)
http://www.selleckchem.com/products/tetrahydrozoline-hcl.html

>  <CAS Number> (296)
522-48-5

$$$$
Diphemanil methylsulfate.cdx
csChFnd80/07261814072D

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.3913    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9664    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0286    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 16  1  0  0  0  0
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 13 18  2  0  0  0  0
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 17 20  1  0  0  0  0
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 22 23  1  0  0  0  0
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 23 27  1  0  0  0  0
M  CFW   0 B_NG_STER 2
M  END
>  <Mol_ID> (297)
1613

>  <Formula> (297)
C21H27NO4S

>  <MolWeight> (297)
389.50838

>  <Item Name> (297)
Diphemanil Methylsulfate

>  <Catalog Number> (297)
S4034

>  <Synonyms> (297)
N/A

>  <Target> (297)
AChR

>  <Form> (297)
Methylsulfate

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

>  <CAS Number> (297)
62-97-5

$$$$
Desvenlafaxine succinate.cdx
csChFnd80/07261814072D

 27 27  0  0  0  0  0  0  0  0999 V2000
    6.5655    8.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0796    7.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9736    6.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    6.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8458    8.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9497    9.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8678    8.2850    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1718    6.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8678    9.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592    7.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638   10.3829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638   11.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    9.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 25  2  0  0  0  0
 20 26  1  0  0  0  0
 20 27  2  0  0  0  0
M  END
>  <Mol_ID> (298)
1619

>  <Formula> (298)
C20H31NO6

>  <MolWeight> (298)
381.46324

>  <Item Name> (298)
Desvenlafaxine Succinate

>  <Catalog Number> (298)
S4112

>  <Synonyms> (298)
N/A

>  <Target> (298)
5-HT Receptor

>  <Form> (298)
Succinate

>  <URL> (298)
http://www.selleckchem.com/products/desvenlafaxine-succinate.html

>  <CAS Number> (298)
386750-22-7

$$$$
Estradiol benzoate.cdx
csChFnd80/07261814072D

 31 35  0  0  0  0  0  0  0  0999 V2000
    6.0513    4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8999    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9011    4.1924    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6893    4.8934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1141    4.8913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1153    6.2913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9035    6.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4452    4.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2691    5.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4472    6.7228    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8795    8.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2629    7.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9011    5.5924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1141    3.4913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6893    3.4934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8416    2.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329    2.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329    4.1927    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
  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
 11 21  1  6  0  0  0
 10 22  1  6  0  0  0
  2 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
 25 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 25  1  0  0  0  0
M  END
>  <Mol_ID> (299)
1621

>  <Formula> (299)
C25H28O3

>  <MolWeight> (299)
376.48802

>  <Item Name> (299)
Estradiol Benzoate

>  <Catalog Number> (299)
S4110

>  <Synonyms> (299)
N/A

>  <Target> (299)
Estrogen/progestogen Receptor

>  <Form> (299)
Free Base

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

>  <CAS Number> (299)
50-50-0

$$$$
Decamethonium bromide.cdx
csChFnd80/07261814072D

 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> (300)
1632

>  <Formula> (300)
C16H38Br2N2

>  <MolWeight> (300)
418.29432

>  <Item Name> (300)
Decamethonium Bromide

>  <Catalog Number> (300)
S4072

>  <Synonyms> (300)
Syncurine

>  <Target> (300)
AChR

>  <Form> (300)
Bromide

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

>  <CAS Number> (300)
541-22-0

$$$$
Estradiol cypionate.cdx
csChFnd80/07261814072D

 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> (301)
1633

>  <Formula> (301)
C26H36O3

>  <MolWeight> (301)
396.56224

>  <Item Name> (301)
Estradiol Cypionate

>  <Catalog Number> (301)
S4046

>  <Synonyms> (301)
N/A

>  <Target> (301)
Estrogen/progestogen Receptor

>  <Form> (301)
Free Base

>  <URL> (301)
http://www.selleckchem.com/products/estradiol-cypionate.html

>  <CAS Number> (301)
313-06-4

$$$$
Hexamethonium bromide.cdx
csChFnd80/07261814072D

 16 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.7725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.0725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.5994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0629    0.2066    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    9.9897    2.6944    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (302)
1636

>  <Formula> (302)
C12H30Br2N2

>  <MolWeight> (302)
362.188

>  <Item Name> (302)
Hexamethonium Dibromide

>  <Catalog Number> (302)
S4069

>  <Synonyms> (302)
N/A

>  <Target> (302)
AChR

>  <Form> (302)
Dibromide

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

>  <CAS Number> (302)
55-97-0

$$$$
Mequinol.cdx
csChFnd80/07261814072D

  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
    1.2124    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
M  END
>  <Mol_ID> (303)
1638

>  <Formula> (303)
C7H8O2

>  <MolWeight> (303)
124.13722

>  <Item Name> (303)
Mequinol

>  <Catalog Number> (303)
S4077

>  <Synonyms> (303)
N/A

>  <Target> (303)
Others

>  <Form> (303)
Free Base

>  <URL> (303)
http://www.selleckchem.com/products/mequinol.html

>  <CAS Number> (303)
150-76-5

$$$$
Propranolol HCl.cdx
csChFnd80/07261814072D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6373    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8075    1.7063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (304)
1639

>  <Formula> (304)
C16H22ClNO2

>  <MolWeight> (304)
295.80438

>  <Item Name> (304)
Propranolol HCl

>  <Catalog Number> (304)
S4076

>  <Synonyms> (304)
N/A

>  <Target> (304)
Adrenergic Receptor

>  <Form> (304)
Hydrochloride

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

>  <CAS Number> (304)
318-98-9

$$$$
Escitalopram oxalate.cdx
csChFnd80/07261814072D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.9597    5.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6597    4.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0597    4.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1548    5.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
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 11 12  2  0  0  0  0
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 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
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 19 20  1  0  0  0  0
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  4 23  1  0  0  0  0
 23 24  3  0  0  0  0
 25 26  1  0  0  0  0
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 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (305)
1644

>  <Formula> (305)
C22H23FN2O5

>  <MolWeight> (305)
414.4268232

>  <Item Name> (305)
Escitalopram Oxalate

>  <Catalog Number> (305)
S4064

>  <Synonyms> (305)
S-(+)-Citalopram Oxalate

>  <Target> (305)
5-HT Receptor

>  <Form> (305)
Oxalate

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

>  <CAS Number> (305)
219861-08-2

$$$$
Guanabenz acetate.cdx
csChFnd80/07261814072D

 18 17  0  0  0  0  0  0  0  0999 V2000
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    5.4333    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (306)
1645

>  <Formula> (306)
C10H12Cl2N4O2

>  <MolWeight> (306)
291.13388

>  <Item Name> (306)
Guanabenz (WY-8678) Acetate

>  <Catalog Number> (306)
S4065

>  <Synonyms> (306)
N/A

>  <Target> (306)
Adrenergic Receptor

>  <Form> (306)
Acetate

>  <URL> (306)
http://www.selleckchem.com/products/guanabenz-wy-8678-acetate.html

>  <CAS Number> (306)
23256-50-0

$$$$
Ticagrelor.cdx
csChFnd80/07261814072D

 36 40  0  0  0  0  0  0  0  0999 V2000
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   10.3193    8.8300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5112    6.5413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
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 14  8  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  1  0  0  0
 11 10  1  0  0  0  0
 13 10  1  0  0  0  0
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 17 12  1  0  0  0  0
 12 26  1  6  0  0  0
 24 14  1  0  0  0  0
 19 15  1  0  0  0  0
 17 27  1  6  0  0  0
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 30 22  1  0  0  0  0
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 31 34  1  0  0  0  0
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 34 33  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
>  <Mol_ID> (307)
1649

>  <Formula> (307)
C23H28F2N6O4S

>  <MolWeight> (307)
522.5680264

>  <Item Name> (307)
Ticagrelor

>  <Catalog Number> (307)
S4079

>  <Synonyms> (307)
AZD6140

>  <Target> (307)
P2 Receptor

>  <Form> (307)
Free Base

>  <URL> (307)
http://www.selleckchem.com/products/ticagrelor.html

>  <CAS Number> (307)
274693-27-5

$$$$
EQUIPIN (homatropine methylbromide).cdx
csChFnd80/07261814072D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.7009    5.9029    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.3028    2.5486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 17  1  0  0  0  0
M  END
>  <Mol_ID> (308)
1652

>  <Formula> (308)
C17H24BrNO3

>  <MolWeight> (308)
370.28136

>  <Item Name> (308)
Homatropine Methylbromide

>  <Catalog Number> (308)
S4024

>  <Synonyms> (308)
N/A

>  <Target> (308)
AChR

>  <Form> (308)
quaternary-N bromide salt

>  <URL> (308)
http://www.selleckchem.com/products/homatropine-methylbromide.html

>  <CAS Number> (308)
80-49-9

$$$$
Homatropine bromide.cdx
csChFnd80/07261814072D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (309)
1653

>  <Formula> (309)
C16H22BrNO3

>  <MolWeight> (309)
356.25478

>  <Item Name> (309)
Homatropine Bromide

>  <Catalog Number> (309)
S4025

>  <Synonyms> (309)
N/A

>  <Target> (309)
AChR

>  <Form> (309)
quaternary-N bromide salt

>  <URL> (309)
http://www.selleckchem.com/products/homatropine-bromide.html

>  <CAS Number> (309)
51-56-9

$$$$
Hydroxyzine dihydrochloride.cdx
csChFnd80/07261814072D

 28 28  0  0  0  0  0  0  0  0999 V2000
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (310)
1654

>  <Formula> (310)
C21H29Cl3N2O2

>  <MolWeight> (310)
447.82616

>  <Item Name> (310)
Hydroxyzine 2HCl

>  <Catalog Number> (310)
S4026

>  <Synonyms> (310)
N/A

>  <Target> (310)
Histamine Receptor

>  <Form> (310)
dihydrochloride

>  <URL> (310)
http://www.selleckchem.com/products/hydroxyzine-2hcl.html

>  <CAS Number> (310)
2192-20-3

$$$$
Flavoxate HCL.cdx
csChFnd80/07261814072D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.3783    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6379    1.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (311)
1655

>  <Formula> (311)
C24H26ClNO4

>  <MolWeight> (311)
427.92054

>  <Item Name> (311)
Flavoxate HCl

>  <Catalog Number> (311)
S4027

>  <Synonyms> (311)
N/A

>  <Target> (311)
AChR

>  <Form> (311)
hydrochloride

>  <URL> (311)
http://www.selleckchem.com/products/flavoxate-hcl.html

>  <CAS Number> (311)
3717-88-2

$$$$
Aclidinium bromide.cdx
csChFnd80/07261814072D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 21  1  1  0  0  0  0
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 13  4  2  0  0  0  0
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 14  5  2  0  0  0  0
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 33 32  2  0  0  0  0
M  END
>  <Mol_ID> (312)
1656

>  <Formula> (312)
C26H30BrNO4S2

>  <MolWeight> (312)
564.5547

>  <Item Name> (312)
Aclidinium Bromide

>  <Catalog Number> (312)
S4031

>  <Synonyms> (312)
N/A

>  <Target> (312)
AChR

>  <Form> (312)
quaternary-N bromide salt

>  <URL> (312)
http://www.selleckchem.com/products/aclidinium-bromide.html

>  <CAS Number> (312)
320345-99-1

$$$$
Levodropropizine.cdx
csChFnd80/07261814072D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (313)
1660

>  <Formula> (313)
C13H20N2O2

>  <MolWeight> (313)
236.3101

>  <Item Name> (313)
Levodropropizine

>  <Catalog Number> (313)
S4131

>  <Synonyms> (313)
N/A

>  <Target> (313)
Histamine Receptor

>  <Form> (313)
Free Base

>  <URL> (313)
https://www.selleckchem.com/products/levodropropizine.html

>  <CAS Number> (313)
99291-25-5

$$$$
Succinylcholine Chloride Dihydrate.cdx
csChFnd80/07261814072D

 24 19  0  0  0  0  0  0  0  0999 V2000
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    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (314)
1666

>  <Formula> (314)
C14H34Cl2N2O6

>  <MolWeight> (314)
397.33556

>  <Item Name> (314)
Succinylcholine Chloride Dihydrate

>  <Catalog Number> (314)
S4121

>  <Synonyms> (314)
Suxamethonium Chloride Dihydrate

>  <Target> (314)
AChR

>  <Form> (314)
Chloride

>  <URL> (314)
https://www.selleckchem.com/products/succinylcholine-suxamethonium-chloride-dihydrate.html

>  <CAS Number> (314)
6101-15-1

$$$$
Terbutaline sulfate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (315)
1668

>  <Formula> (315)
C24H40N2O10S

>  <MolWeight> (315)
548.6468

>  <Item Name> (315)
Terbutaline Sulfate

>  <Catalog Number> (315)
S4127

>  <Synonyms> (315)
N/A

>  <Target> (315)
Adrenergic Receptor

>  <Form> (315)
Sulfate

>  <URL> (315)
https://www.selleckchem.com/products/terbutaline-sulfate.html

>  <CAS Number> (315)
23031-32-5 

$$$$
Timolol Maleate.cdx
csChFnd80/07261814072D

 29 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (316)
1670

>  <Formula> (316)
C17H28N4O7S

>  <MolWeight> (316)
432.49182

>  <Item Name> (316)
Timolol Maleate

>  <Catalog Number> (316)
S4123

>  <Synonyms> (316)
N/A

>  <Target> (316)
Adrenergic Receptor

>  <Form> (316)
Maleate

>  <URL> (316)
https://www.selleckchem.com/products/timolol-maleate.html

>  <CAS Number> (316)
26921-17-5

$$$$
Tolazoline HCl.cdx
csChFnd80/07261814072D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (317)
1671

>  <Formula> (317)
C10H13ClN2

>  <MolWeight> (317)
196.67662

>  <Item Name> (317)
Tolazoline HCl

>  <Catalog Number> (317)
S4124

>  <Synonyms> (317)
N/A

>  <Target> (317)
Adrenergic Receptor

>  <Form> (317)
Hydrochloride

>  <URL> (317)
https://www.selleckchem.com/products/tolazoline-hcl.html

>  <CAS Number> (317)
59-97-2

$$$$
Macitentan(ACT-064992).cdx
csChFnd80/07261814072D

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>  <Mol_ID> (318)
1674

>  <Formula> (318)
C19H20Br2N6O4S

>  <MolWeight> (318)
588.2729

>  <Item Name> (318)
Macitentan

>  <Catalog Number> (318)
S8051

>  <Synonyms> (318)
ACT-064992

>  <Target> (318)
Endothelin Receptor

>  <Form> (318)
Free Base

>  <URL> (318)
https://www.selleckchem.com/products/macitentan.html

>  <CAS Number> (318)
441798-33-0

$$$$
Cyclizine 2HCl.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (319)
1703

>  <Formula> (319)
C18H24Cl2N2

>  <MolWeight> (319)
339.30256

>  <Item Name> (319)
Cyclizine 2HCl

>  <Catalog Number> (319)
S4139

>  <Synonyms> (319)
N/A

>  <Target> (319)
Histamine Receptor

>  <Form> (319)
Hydrochloride

>  <URL> (319)
http://www.selleckchem.com/products/cyclizine-2hcl.html

>  <CAS Number> (319)
5897-18-7

$$$$
SANT-1.cdx
csChFnd80/07261814072D

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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (320)
1712

>  <Formula> (320)
C23H27N5

>  <MolWeight> (320)
373.49398

>  <Item Name> (320)
SANT-1

>  <Catalog Number> (320)
S7092

>  <Synonyms> (320)
N/A

>  <Target> (320)
Smoothened

>  <Form> (320)
Free Base

>  <URL> (320)
http://www.selleckchem.com/products/sant-1.html

>  <CAS Number> (320)
304909-07-7

$$$$
Clorprenaline HCl.cdx
csChFnd80/07261814072D

 15 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (321)
1730

>  <Formula> (321)
C11H17Cl2NO

>  <MolWeight> (321)
250.16478

>  <Item Name> (321)
Clorprenaline HCL

>  <Catalog Number> (321)
S4135

>  <Synonyms> (321)
N/A

>  <Target> (321)
Adrenergic Receptor

>  <Form> (321)
Hydrochloride

>  <URL> (321)
http://www.selleckchem.com/products/clorprenaline-hcl.html

>  <CAS Number> (321)
6933-90-0

$$$$
Ethamsylate.cdx
csChFnd80/07261814072D

 17 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (322)
1740

>  <Formula> (322)
C10H17NO5S

>  <MolWeight> (322)
263.31068

>  <Item Name> (322)
Ethamsylate

>  <Catalog Number> (322)
S4152

>  <Synonyms> (322)
N/A

>  <Target> (322)
Immunology & Inflammation related

>  <Form> (322)
Diethylamine

>  <URL> (322)
http://www.selleckchem.com/products/ethamsylate.html

>  <CAS Number> (322)
2624-44-4

$$$$
penfluridol.cdx
csChFnd80/07261814072D

 36 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (323)
1747

>  <Formula> (323)
C28H27ClF5NO

>  <MolWeight> (323)
523.965096

>  <Item Name> (323)
Penfluridol

>  <Catalog Number> (323)
S4151

>  <Synonyms> (323)
TLP-607

>  <Target> (323)
Dopamine Receptor

>  <Form> (323)
Free Base

>  <URL> (323)
http://www.selleckchem.com/products/penfluridol.html

>  <CAS Number> (323)
26864-56-2

$$$$
Bemegride.cdx
csChFnd80/07261814072D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    2.4207    5.1797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5239    1.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3174    1.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0011    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  2  0  0  0  0
  5  8  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (324)
1774

>  <Formula> (324)
C8H13NO2

>  <MolWeight> (324)
155.19432

>  <Item Name> (324)
Bemegride

>  <Catalog Number> (324)
S4197

>  <Synonyms> (324)
N/A

>  <Target> (324)
GABA Receptor

>  <Form> (324)
Free Base

>  <URL> (324)
http://www.selleckchem.com/products/bemegride.html

>  <CAS Number> (324)
64-65-3

$$$$
Deoxycorticosterone acetate.cdx
csChFnd80/07261814072D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    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
    7.4162    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
    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
   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
   13.1270    6.8297    0.0000 O   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 10 23  1  6  0  0  0
 11 24  1  6  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (325)
1779

>  <Formula> (325)
C23H32O4

>  <MolWeight> (325)
372.49778

>  <Item Name> (325)
Deoxycorticosterone acetate

>  <Catalog Number> (325)
S4243

>  <Synonyms> (325)
N/A

>  <Target> (325)
Adrenergic Receptor

>  <Form> (325)
Free Base

>  <URL> (325)
http://www.selleckchem.com/products/deoxycorticosterone-acetate.html

>  <CAS Number> (325)
56-47-3

$$$$
Doxylamine succinate.cdx
csChFnd80/07261814072D

 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
    1.5409    9.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9458    9.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482   10.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9457   11.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409   11.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457    8.1073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4333    7.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    8.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    6.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3457    6.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    8.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    8.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    8.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    8.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    8.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4262    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6429    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4262    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2138    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8553    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0678    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0678    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2802    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
  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
 13  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 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
M  END
>  <Mol_ID> (326)
1782

>  <Formula> (326)
C21H28N2O5

>  <MolWeight> (326)
388.45742

>  <Item Name> (326)
Doxylamine Succinate

>  <Catalog Number> (326)
S4240

>  <Synonyms> (326)
N/A

>  <Target> (326)
Histamine Receptor

>  <Form> (326)
Succinate

>  <URL> (326)
http://www.selleckchem.com/products/doxylamine-succinate.html

>  <CAS Number> (326)
562-10-7

$$$$
Serotonin hydrochloride.cdx
csChFnd80/07261814072D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.7604    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6939    3.1128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6346    2.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  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
M  END
>  <Mol_ID> (327)
1793

>  <Formula> (327)
C10H13ClN2O

>  <MolWeight> (327)
212.67602

>  <Item Name> (327)
Serotonin HCl

>  <Catalog Number> (327)
S4244

>  <Synonyms> (327)
N/A

>  <Target> (327)
5-HT Receptor

>  <Form> (327)
Hydrochloride

>  <URL> (327)
http://www.selleckchem.com/products/serotonin-hcl.html

>  <CAS Number> (327)
153-98-0

$$$$
Droperidol.cdx
csChFnd80/07261814072D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0000   14.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   15.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7579   12.5462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793   13.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7579   14.8163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744   13.6844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890   11.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522   10.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    8.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0543    8.5527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    9.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4848    7.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8494    6.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0750    3.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1378    2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5699    1.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9392    1.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8764    2.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4443    3.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3698    0.0000    0.0000 F   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  5  1  0  0  0  0
  8 10  2  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
 14 15  1  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  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (328)
1808

>  <Formula> (328)
C22H22FN3O2

>  <MolWeight> (328)
379.4273832

>  <Item Name> (328)
Droperidol

>  <Catalog Number> (328)
S4096

>  <Synonyms> (328)
N/A

>  <Target> (328)
Dopamine Receptor

>  <Form> (328)
Free Base

>  <URL> (328)
http://www.selleckchem.com/products/droperidol.html

>  <CAS Number> (328)
548-73-2

$$$$
Eprosartan mesylate.cdx
csChFnd80/07261814072D

 35 36  0  0  0  0  0  0  0  0999 V2000
    2.9058    7.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9058    6.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1225    5.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3392    6.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3392    7.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1225    8.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6934    5.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    8.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    7.8367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8638    5.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1527    4.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0618    3.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4581    3.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7564    3.7617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (329)
1810

>  <Formula> (329)
C24H28N2O7S2

>  <MolWeight> (329)
520.61832

>  <Item Name> (329)
Eprosartan Mesylate

>  <Catalog Number> (329)
S4102

>  <Synonyms> (329)
N/A

>  <Target> (329)
RAAS

>  <Form> (329)
Mesylate

>  <URL> (329)
http://www.selleckchem.com/products/eprosartan-mesylate.html

>  <CAS Number> (329)
144143-96-4 

$$$$
Esmolol hydrochloride.cdx
csChFnd80/07261814072D

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    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8065    1.4793    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
  9 10  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  2 16  1  0  0  0  0
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M  END
>  <Mol_ID> (330)
1811

>  <Formula> (330)
C16H26ClNO4

>  <MolWeight> (330)
331.83494

>  <Item Name> (330)
Esmolol HCl

>  <Catalog Number> (330)
S4100

>  <Synonyms> (330)
N/A

>  <Target> (330)
Adrenergic Receptor

>  <Form> (330)
Hydrochloride

>  <URL> (330)
http://www.selleckchem.com/products/esmolol-hcl.html

>  <CAS Number> (330)
81161-17-3, 81147-92-4(free base)

$$$$
ifenprodil tartrate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (331)
1817

>  <Formula> (331)
C46H60N2O10

>  <MolWeight> (331)
800.976

>  <Item Name> (331)
Ifenprodil Tartrate

>  <Catalog Number> (331)
S4091

>  <Synonyms> (331)
N/A

>  <Target> (331)
NMDAR

>  <Form> (331)
Tartrate

>  <URL> (331)
http://www.selleckchem.com/products/ifenprodil-tartrate.html

>  <CAS Number> (331)
23210-58-4

$$$$
levobetaxolol hydrochloride.cdx
csChFnd80/07261814072D

 23 23  0  0  0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
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  6  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (332)
1820

>  <Formula> (332)
C18H30ClNO3

>  <MolWeight> (332)
343.8887

>  <Item Name> (332)
Levobetaxolol HCl

>  <Catalog Number> (332)
S4085

>  <Synonyms> (332)
N/A

>  <Target> (332)
Adrenergic Receptor

>  <Form> (332)
Hydrochloride

>  <URL> (332)
http://www.selleckchem.com/products/levobetaxolol-hcl.html

>  <CAS Number> (332)
116209-55-3, 93221-48-8(free base)

$$$$
loxapine succinate.cdx
csChFnd80/07261814072D

 31 33  0  0  0  0  0  0  0  0999 V2000
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    6.2357    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8691    6.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2247    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  7  1  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
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  7 13  1  0  0  0  0
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M  END
>  <Mol_ID> (333)
1822

>  <Formula> (333)
C22H24ClN3O5

>  <MolWeight> (333)
445.89606

>  <Item Name> (333)
Loxapine Succinate

>  <Catalog Number> (333)
S4086

>  <Synonyms> (333)
N/A

>  <Target> (333)
5-HT Receptor,Dopamine Receptor

>  <Form> (333)
Succinate

>  <URL> (333)
http://www.selleckchem.com/products/loxapine-succinate.html

>  <CAS Number> (333)
27833-64-3

$$$$
14028-44-5.cdx
csChFnd80/07261814072D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
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 10 15  1  0  0  0  0
 11 17  2  0  0  0  0
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M  END
>  <Mol_ID> (334)
1841

>  <Formula> (334)
C17H16ClN3O

>  <MolWeight> (334)
313.78144

>  <Item Name> (334)
Amoxapine

>  <Catalog Number> (334)
S4218

>  <Synonyms> (334)
N/A

>  <Target> (334)
GlyT

>  <Form> (334)
Free Base

>  <URL> (334)
http://www.selleckchem.com/products/amoxapine.html

>  <CAS Number> (334)
14028-44-5

$$$$
Azaperone.cdx
csChFnd80/07261814072D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.2338    1.2108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (335)
1842

>  <Formula> (335)
C19H22FN3O

>  <MolWeight> (335)
327.3958832

>  <Item Name> (335)
Azaperone

>  <Catalog Number> (335)
S4219

>  <Synonyms> (335)
N/A

>  <Target> (335)
Dopamine Receptor

>  <Form> (335)
Free Base

>  <URL> (335)
http://www.selleckchem.com/products/azaperone.html

>  <CAS Number> (335)
1649-18-9

$$$$
Montelukast sodium.cdx
csChFnd80/07261814072D

 42 45  0  0  0  0  0  0  0  0999 V2000
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   10.4594    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  1  2  0  0  0  0
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 18  2  1  0  0  0  0
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 35  4  2  0  0  0  0
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 30  9  1  0  0  0  0
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M  END
>  <Mol_ID> (336)
1862

>  <Formula> (336)
C35H35ClNNaO3S

>  <MolWeight> (336)
608.16507

>  <Item Name> (336)
Montelukast Sodium

>  <Catalog Number> (336)
S4211

>  <Synonyms> (336)
N/A

>  <Target> (336)
LTR

>  <Form> (336)
Sodium Salt

>  <URL> (336)
http://www.selleckchem.com/products/montelukast-sodium.html

>  <CAS Number> (336)
151767-02-1

$$$$
pheniramine maleate .cdx
csChFnd80/07261814072D

 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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    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7333    4.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9457    5.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1540    3.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (337)
1867

>  <Formula> (337)
C20H24N2O4

>  <MolWeight> (337)
356.41556

>  <Item Name> (337)
Pheniramine Maleate

>  <Catalog Number> (337)
S4045

>  <Synonyms> (337)
N/A

>  <Target> (337)
Histamine Receptor

>  <Form> (337)
Maleate

>  <URL> (337)
http://www.selleckchem.com/products/pheniramine-maleate.html

>  <CAS Number> (337)
132-20-7

$$$$
Pilocarpine HCl.cdx
csChFnd80/07261814072D

 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
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    3.3437    4.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7427    1.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1823    1.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5905    3.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2488    0.4906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (338)
1868

>  <Formula> (338)
C11H17ClN2O2

>  <MolWeight> (338)
244.71788

>  <Item Name> (338)
Pilocarpine HCl

>  <Catalog Number> (338)
S4231

>  <Synonyms> (338)
N/A

>  <Target> (338)
AChR

>  <Form> (338)
Hydrochloride

>  <URL> (338)
http://www.selleckchem.com/products/pilocarpine-hcl.html

>  <CAS Number> (338)
54-71-7

$$$$
Prucalopride succinat.cdx
csChFnd80/07261814072D

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.4039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1768    1.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4421    1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
>  <Mol_ID> (339)
1876

>  <Formula> (339)
C22H32ClN3O7

>  <MolWeight> (339)
485.95838

>  <Item Name> (339)
Prucalopride Succinat

>  <Catalog Number> (339)
S4247

>  <Synonyms> (339)
N/A

>  <Target> (339)
5-HT Receptor

>  <Form> (339)
Succinat

>  <URL> (339)
http://www.selleckchem.com/products/prucalopride-succinat.html

>  <CAS Number> (339)
179474-85-2

$$$$
Phenothiazine.cdx
csChFnd80/07261814072D

 14 16  0  0  0  0  0  0  0  0999 V2000
    2.4326    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2195    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (340)
1881

>  <Formula> (340)
C12H9NS

>  <MolWeight> (340)
199.27156

>  <Item Name> (340)
Phenothiazine

>  <Catalog Number> (340)
S4251

>  <Synonyms> (340)
N/A

>  <Target> (340)
Dopamine Receptor

>  <Form> (340)
Free Base

>  <URL> (340)
http://www.selleckchem.com/products/phenothiazine.html

>  <CAS Number> (340)
92-84-2

$$$$
Epinastine HCl.cdx
csChFnd80/07261814072D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (341)
1883

>  <Formula> (341)
C16H16ClN3

>  <MolWeight> (341)
285.77134

>  <Item Name> (341)
Epinastine HCl

>  <Catalog Number> (341)
S4253

>  <Synonyms> (341)
N/A

>  <Target> (341)
Histamine Receptor

>  <Form> (341)
Hydrochloride

>  <URL> (341)
http://www.selleckchem.com/products/epinastine-hcl.html

>  <CAS Number> (341)
108929-04-0

$$$$
SKI II (SphK-I2).cdx
csChFnd80/07261814072D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (342)
1888

>  <Formula> (342)
C15H11ClN2OS

>  <MolWeight> (342)
302.77864

>  <Item Name> (342)
SKI II

>  <Catalog Number> (342)
S7176

>  <Synonyms> (342)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (342)
S1P Receptor

>  <Form> (342)
Free Base

>  <URL> (342)
http://www.selleckchem.com/products/ski-ii.html

>  <CAS Number> (342)
312636-16-1

$$$$
Bazedoxifene acetate.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (343)
1895

>  <Formula> (343)
C32H38N2O5

>  <MolWeight> (343)
530.65452

>  <Item Name> (343)
Bazedoxifene Acetate

>  <Catalog Number> (343)
S2167

>  <Synonyms> (343)
N/A

>  <Target> (343)
Estrogen/progestogen Receptor

>  <Form> (343)
Acetate

>  <URL> (343)
http://www.selleckchem.com/products/Bazedoxifene-acetate.html

>  <CAS Number> (343)
198481-33-3

$$$$
purmorphamine.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (344)
1900

>  <Formula> (344)
C31H32N6O2

>  <MolWeight> (344)
520.62478

>  <Item Name> (344)
Purmorphamine

>  <Catalog Number> (344)
S3042

>  <Synonyms> (344)
N/A

>  <Target> (344)
Hedgehog/Smoothened

>  <Form> (344)
Free Base

>  <URL> (344)
http://www.selleckchem.com/products/purmorphamine.html

>  <CAS Number> (344)
483367-10-8

$$$$
EHop-016.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (345)
1943

>  <Formula> (345)
C25H30N6O

>  <MolWeight> (345)
430.5453

>  <Item Name> (345)
EHop-016

>  <Catalog Number> (345)
S7319

>  <Synonyms> (345)
N/A

>  <Target> (345)
Rac

>  <Form> (345)
Free Base

>  <URL> (345)
http://www.selleckchem.com/products/ehop-016.html

>  <CAS Number> (345)
1380432-32-5

$$$$
Chlorpheniramine Maleate.cdx
csChFnd80/07261814072D

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   11.0108    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2231    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0108    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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
  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 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
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 20 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (346)
2058

>  <Formula> (346)
C20H23ClN2O4

>  <MolWeight> (346)
390.86062

>  <Item Name> (346)
Chlorpheniramine Maleate

>  <Catalog Number> (346)
S1816

>  <Synonyms> (346)
Piriton

>  <Target> (346)
Histamine Receptor

>  <Form> (346)
Maleate

>  <URL> (346)
http://www.selleckchem.com/products/Chlorpheniramine-maleate.html

>  <CAS Number> (346)
113-92-8

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/07261814072D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    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
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  1 13  1  0  0  0  0
  9 14  1  6  0  0  0
  8 15  1  1  0  0  0
 14 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 14  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (347)
2069

>  <Formula> (347)
C15H12O7

>  <MolWeight> (347)
304.25158

>  <Item Name> (347)
Taxifolin (Dihydroquercetin)

>  <Catalog Number> (347)
S2366

>  <Synonyms> (347)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (347)
VEGFR

>  <Form> (347)
Free Base

>  <URL> (347)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

>  <CAS Number> (347)
480-18-2

$$$$
Alizapride hydrochloride.cdx
csChFnd80/07261814072D

 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
    9.5485    4.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3405    1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8929    2.2200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3405    4.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9257    4.4808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1077    2.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7295    3.3622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1082    4.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8966    1.9602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8971    4.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6834    2.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6846    4.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8971    6.1383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4742    4.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2627    4.0408    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9598    4.6181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1156    2.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6726    5.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7235    2.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6614    6.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0123    6.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8544    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 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
 16 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
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (348)
2071

>  <Formula> (348)
C16H22ClN5O2

>  <MolWeight> (348)
351.83118

>  <Item Name> (348)
Alizapride hydrochloride

>  <Catalog Number> (348)
S4257 

>  <Synonyms> (348)
N/A

>  <Target> (348)
Dopamine Receptor

>  <Form> (348)
hydrochloride

>  <URL> (348)
http://www.selleckchem.com/products/alizapride-hcl.html

>  <CAS Number> (348)
59338-87-3

$$$$
Brimonidine Tartrate.cdx
csChFnd80/07261814072D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6373    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    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   13.6240    3.6428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6240    2.2379    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4115    4.3428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8364    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4115    1.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8364    4.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0488    3.6428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8364    5.7428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0488    2.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8364    0.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  8  9  2  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
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 10 17  1  0  0  0  0
  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 13  1  0  0  0  0
 15 14  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  6  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 21 26  1  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (349)
2072

>  <Formula> (349)
C15H16BrN5O6

>  <MolWeight> (349)
442.22144

>  <Item Name> (349)
Brimonidine Tartrate

>  <Catalog Number> (349)
S4266

>  <Synonyms> (349)
N/A

>  <Target> (349)
Adrenergic Receptor

>  <Form> (349)
Tartrate

>  <URL> (349)
http://www.selleckchem.com/products/brimonidine-tartrate.html

>  <CAS Number> (349)
70359-46-5

$$$$
Buspirone hydrochloride.cdx
csChFnd80/07261814072D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.8167    0.0000 N   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
    1.2124    2.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.9142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.3142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    5.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    5.0094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    4.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    5.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    6.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    7.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    6.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8071    5.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7439    6.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0439    8.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6745    7.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    7.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    2.9142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2493    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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
 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 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
 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
 22 27  2  0  0  0  0
 18 28  2  0  0  0  0
M  END
>  <Mol_ID> (350)
2073

>  <Formula> (350)
C21H32ClN5O2

>  <MolWeight> (350)
421.96408

>  <Item Name> (350)
Buspirone hydrochloride

>  <Catalog Number> (350)
S4256 

>  <Synonyms> (350)
N/A

>  <Target> (350)
5-HT Receptor

>  <Form> (350)
Hydrochloride

>  <URL> (350)
http://www.selleckchem.com/products/buspirone-hcl.html

>  <CAS Number> (350)
33386-08-2

$$$$
RAPAFLO (silodosin).cdx
csChFnd80/07261814072D

 35 37  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8355    2.2024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (351)
2075

>  <Formula> (351)
C25H32F3N3O4

>  <MolWeight> (351)
495.5344896

>  <Item Name> (351)
Silodosin

>  <Catalog Number> (351)
S1613

>  <Synonyms> (351)
N/A

>  <Target> (351)
Adrenergic Recepto

>  <Form> (351)
Free Base

>  <URL> (351)
http://www.selleckchem.com/products/Silodosin(Rapaflo).html

>  <CAS Number> (351)
160970-54-7

$$$$
Ebastine.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (352)
2077

>  <Formula> (352)
C32H39NO2

>  <MolWeight> (352)
469.65756

>  <Item Name> (352)
Ebastine

>  <Catalog Number> (352)
S4262 

>  <Synonyms> (352)
N/A

>  <Target> (352)
Others

>  <Form> (352)
Free Base

>  <URL> (352)
http://www.selleckchem.com/products/ebastine.html

>  <CAS Number> (352)
90729-43-4

$$$$
Vilazodone Hydrochloride.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (353)
2084

>  <Formula> (353)
C26H28ClN5O2

>  <MolWeight> (353)
477.98582

>  <Item Name> (353)
Vilazodone Hydrochloride

>  <Catalog Number> (353)
S4259 

>  <Synonyms> (353)
N/A

>  <Target> (353)
Others

>  <Form> (353)
Hydrochloride

>  <URL> (353)
http://www.selleckchem.com/products/vilazodone-hcl.html

>  <CAS Number> (353)
163521-08-2

$$$$
BMS-833923 (XL139).cdx
csChFnd80/07261814072D

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>  <Mol_ID> (354)
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1059734-66-5

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Rho

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587841-73-4

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924416-43-3

$$$$
FLI-06.cdx
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$$$$
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M  END
>  <Mol_ID> (358)
2207

>  <Formula> (358)
C29H32ClF3N2O3

>  <MolWeight> (358)
549.0241896

>  <Item Name> (358)
Almorexant HCl

>  <Catalog Number> (358)
S2160

>  <Synonyms> (358)
N/A

>  <Target> (358)
OX Receptor

>  <Form> (358)
Hydrochloride

>  <URL> (358)
http://www.selleckchem.com/products/almorexant-hcl.html

>  <CAS Number> (358)
913358-93-7

$$$$
PF-543 .cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (359)
2227

>  <Formula> (359)
C27H31NO4S

>  <MolWeight> (359)
465.60434

>  <Item Name> (359)
PF-543

>  <Catalog Number> (359)
S7177

>  <Synonyms> (359)
N/A

>  <Target> (359)
S1P Receptor

>  <Form> (359)
Free Base

>  <URL> (359)
http://www.selleckchem.com/products/pf-543.html

>  <CAS Number> (359)
1415562-82-1

$$$$
EHT 1864.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (360)
2232

>  <Formula> (360)
C25H29Cl2F3N2O4S

>  <MolWeight> (360)
581.4749696

>  <Item Name> (360)
EHT 1864 2HCl

>  <Catalog Number> (360)
S7482

>  <Synonyms> (360)
N/A

>  <Target> (360)
Rho

>  <Form> (360)
Dihydrochloride

>  <URL> (360)
http://www.selleckchem.com/products/eht-1864.html

>  <CAS Number> (360)
754240-09-0

$$$$
Ospemifene.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (361)
2267

>  <Formula> (361)
C24H23ClO2

>  <MolWeight> (361)
378.89122

>  <Item Name> (361)
Ospemifene

>  <Catalog Number> (361)
S4285

>  <Synonyms> (361)
N/A

>  <Target> (361)
Estrogen/progestogen Receptor

>  <Form> (361)
Free Base

>  <URL> (361)
http://www.selleckchem.com/products/ospemifene.html

>  <CAS Number> (361)
128607-22-7

$$$$
Rilmenidine phosphate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (362)
2271

>  <Formula> (362)
C10H19N2O5P

>  <MolWeight> (362)
278.242021

>  <Item Name> (362)
Rilmenidine Phosphate

>  <Catalog Number> (362)
S7548

>  <Synonyms> (362)
N/A

>  <Target> (362)
Others

>  <Form> (362)
Phosphate

>  <URL> (362)
http://www.selleckchem.com/products/rilmenidine-phosphate.html

>  <CAS Number> (362)
85409-38-7

$$$$
Carteolol hydrochloride.cdx
csChFnd80/07261814072D

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    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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3659    1.9320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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  2  0  0  0  0
  3 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
 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> (363)
2273

>  <Formula> (363)
C16H25ClN2O3

>  <MolWeight> (363)
328.8343

>  <Item Name> (363)
Carteolol HCl

>  <Catalog Number> (363)
S4278

>  <Synonyms> (363)
N/A

>  <Target> (363)
Adrenergic Receptor

>  <Form> (363)
Hydrochloride

>  <URL> (363)
http://www.selleckchem.com/products/carteolol-hci.html

>  <CAS Number> (363)
51781-21-6

$$$$
Cyclobenzaprine HCl.cdx
csChFnd80/07261814072D

 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
    3.5194    4.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8843    4.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4918    5.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8843    7.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194    7.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6730    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0691    3.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6765    4.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8879    5.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    2.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2342    1.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5720    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5983    1.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9361    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2867    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9504    3.6253    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  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  5  1  0  0  0  0
  1 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  2  1  0  0  0  0
  3 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  CFW  17 B_NG_STER 2
M  END
>  <Mol_ID> (364)
2275

>  <Formula> (364)
C20H22ClN

>  <MolWeight> (364)
311.84838

>  <Item Name> (364)
Cyclobenzaprine HCl

>  <Catalog Number> (364)
S4283

>  <Synonyms> (364)
N/A

>  <Target> (364)
5-HT Receptor

>  <Form> (364)
Hydrochloride

>  <URL> (364)
http://www.selleckchem.com/products/cyclobenzaprine-hci.html

>  <CAS Number> (364)
6202-23-9

$$$$
Bambuterol HCl.cdx
csChFnd80/07261814072D

 27 26  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5689    4.5712    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  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5 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  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
>  <Mol_ID> (365)
2280

>  <Formula> (365)
C18H30ClN3O5

>  <MolWeight> (365)
403.9009

>  <Item Name> (365)
Bambuterol HCl

>  <Catalog Number> (365)
S4277

>  <Synonyms> (365)
N/A

>  <Target> (365)
Adrenergic Receptor

>  <Form> (365)
Hydrochloride

>  <URL> (365)
http://www.selleckchem.com/products/bambuterol-hci.html

>  <CAS Number> (365)
81732-46-9

$$$$
Promethazine hydrochloride.cdx
csChFnd80/07261814072D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 S   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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2737    4.1020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (366)
2283

>  <Formula> (366)
C17H21ClN2S

>  <MolWeight> (366)
320.88004

>  <Item Name> (366)
Promethazine HCl

>  <Catalog Number> (366)
S4293

>  <Synonyms> (366)
N/A

>  <Target> (366)
Histamine Receptor

>  <Form> (366)
Hydrochloride

>  <URL> (366)
http://www.selleckchem.com/products/promethazine-hcl.html

>  <CAS Number> (366)
58-33-3

$$$$
MetoclopraMide HCl.cdx
csChFnd80/07261814072D

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7161    0.8470    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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  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
M  END
>  <Mol_ID> (367)
2285

>  <Formula> (367)
C14H23Cl2N3O2

>  <MolWeight> (367)
336.25732

>  <Item Name> (367)
MetoclopraMide HCl

>  <Catalog Number> (367)
S4289

>  <Synonyms> (367)
N/A

>  <Target> (367)
Dopamine Receptor

>  <Form> (367)
Hydrochloride

>  <URL> (367)
http://www.selleckchem.com/products/metoclopramide-hcl.html

>  <CAS Number> (367)
7232-21-5

$$$$
Rotigotine.cdx
csChFnd80/07261814072D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    0.2911    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
 10 11  1  0  0  0  0
  3 12  1  1  0  0  0
 12 13  1  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
 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 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (368)
2288

>  <Formula> (368)
C19H25NOS

>  <MolWeight> (368)
315.4729

>  <Item Name> (368)
Rotigotine

>  <Catalog Number> (368)
S4274

>  <Synonyms> (368)
N/A

>  <Target> (368)
Dopamine Receptor

>  <Form> (368)
Free Base

>  <URL> (368)
http://www.selleckchem.com/products/rotigotine.html

>  <CAS Number> (368)
99755-59-6

$$$$
Diphenidol hydrochloride.cdx
csChFnd80/07261814072D

 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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    3.1623    0.0000 O   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
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    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
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2811    3.0028    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 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
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (369)
2293

>  <Formula> (369)
C21H28ClNO

>  <MolWeight> (369)
345.90612

>  <Item Name> (369)
Diphenidol HCl

>  <Catalog Number> (369)
S4292

>  <Synonyms> (369)
N/A

>  <Target> (369)
AChR

>  <Form> (369)
Hydrochloride

>  <URL> (369)
http://www.selleckchem.com/products/diphenidol-hcl.html

>  <CAS Number> (369)
3254-89-5

$$$$
Labetalol hydrochloride.cdx
csChFnd80/07261814072D

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.9680    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    2.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.9680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.2680    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9119    2.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3236    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 11 19  1  0  0  0  0
 14 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 14  1  0  0  0  0
M  END
>  <Mol_ID> (370)
2300

>  <Formula> (370)
C19H25ClN2O3

>  <MolWeight> (370)
364.8664

>  <Item Name> (370)
Labetalol HCl

>  <Catalog Number> (370)
S4291

>  <Synonyms> (370)
N/A

>  <Target> (370)
Adrenergic Receptor

>  <Form> (370)
Hydrochloride

>  <URL> (370)
http://www.selleckchem.com/products/labetalol-hcl.html

>  <CAS Number> (370)
32780-64-6

$$$$
Bepotastine besilate.cdx
csChFnd80/07261814072D

 37 39  0  0  0  0  0  0  0  0999 V2000
    6.0622    9.0804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.9804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.6804    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1244    6.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    5.5804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   13.2804    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9541    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9541    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1666    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3790    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3790    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1666    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1666    0.6976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3748    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9584    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3748    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  1 10  1  0  0  0  0
 14 13  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 15  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  1  0  0  0  0
 14 21  1  0  0  0  0
  4 13  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  2  0  0  0  0
M  END
>  <Mol_ID> (371)
2309

>  <Formula> (371)
C27H31ClN2O6S

>  <MolWeight> (371)
547.06284

>  <Item Name> (371)
Bepotastine Besilate

>  <Catalog Number> (371)
S3037

>  <Synonyms> (371)
N/A

>  <Target> (371)
Histamine Receptor

>  <Form> (371)
Besilate salt

>  <URL> (371)
http://www.selleckchem.com/products/bepotastine-besilate.html

>  <CAS Number> (371)
190786-44-8

$$$$
Fesoterodine fumarate.cdx
csChFnd80/07261814072D

 38 38  0  0  0  0  0  0  0  0999 V2000
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    8.9145    5.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1269    6.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1269    8.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7020    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1269    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1269    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3393    1.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5518    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5518    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6916    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6916    7.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 37  2  0  0  0  0
 35 38  2  0  0  0  0
M  END
>  <Mol_ID> (372)
2315

>  <Formula> (372)
C30H41NO7

>  <MolWeight> (372)
527.64904

>  <Item Name> (372)
Fesoterodine Fumarate

>  <Catalog Number> (372)
S2240

>  <Synonyms> (372)
N/A

>  <Target> (372)
AChR

>  <Form> (372)
Fumarate

>  <URL> (372)
http://www.selleckchem.com/products/Fesoterodine-fumarate-Toviaz.html

>  <CAS Number> (372)
286930-03-8

$$$$
Fosaprepitant dimeglumine.cdx
csChFnd80/07261814072D

 67 68  0  0  0  0  0  0  0  0999 V2000
    8.6143    5.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6143    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8310    3.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0476    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6234    7.8073    0.0000 C   0  0  1  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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   17.1915    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4039    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   20.8288    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.0412    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 58 67  1  6  0  0  0
M  END
>  <Mol_ID> (373)
2316

>  <Formula> (373)
C37H56F7N6O16P

>  <MolWeight> (373)
1004.8337234

>  <Item Name> (373)
Fosaprepitant dimeglumine salt

>  <Catalog Number> (373)
S3038

>  <Synonyms> (373)
MK-0517

>  <Target> (373)
Others

>  <Form> (373)
dimeglumine salt

>  <URL> (373)
http://www.selleckchem.com/products/fosaprepitant.html

>  <CAS Number> (373)
265121-04-8

$$$$
INVEGA (paliperidone).cdx
csChFnd80/07261814072D

 31 35  0  0  0  0  0  0  0  0999 V2000
   12.6402    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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   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
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 10  5  1  0  0  0  0
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 28 30  1  0  0  0  0
 10 31  1  0  0  0  0
M  END
>  <Mol_ID> (374)
2317

>  <Formula> (374)
C23H27FN4O3

>  <MolWeight> (374)
426.4838832

>  <Item Name> (374)
Paliperidone

>  <Catalog Number> (374)
S1724

>  <Synonyms> (374)
N/A

>  <Target> (374)
Dopamine Receptor

>  <Form> (374)
Free Base

>  <URL> (374)
http://www.selleckchem.com/products/Paliperidone(Invega).html

>  <CAS Number> (374)
144598-75-4

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/07261814072D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (375)
2319

>  <Formula> (375)
C22H26ClF2NO4

>  <MolWeight> (375)
441.8959464

>  <Item Name> (375)
Nebivolol HCl

>  <Catalog Number> (375)
S1549

>  <Synonyms> (375)
N/A

>  <Target> (375)
Adrenergic Receptor

>  <Form> (375)
Hydrochloride

>  <URL> (375)
http://www.selleckchem.com/products/Nebivolol(Bystolic).html

>  <CAS Number> (375)
152520-56-4

$$$$
Nitenpyram.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (376)
2338

>  <Formula> (376)
C11H15ClN4O2

>  <MolWeight> (376)
270.7154

>  <Item Name> (376)
Nitenpyram

>  <Catalog Number> (376)
S4422

>  <Synonyms> (376)
N/A

>  <Target> (376)
AChR

>  <Form> (376)
Free Base

>  <URL> (376)
http://www.selleckchem.com/products/nitenpyram.html

>  <CAS Number> (376)
150824-47-8

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/07261814072D

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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (377)
2343

>  <Formula> (377)
C15H17ClIN3O3

>  <MolWeight> (377)
449.67125

>  <Item Name> (377)
K-Ras(G12C) inhibitor 12

>  <Catalog Number> (377)
S7331

>  <Synonyms> (377)
N/A

>  <Target> (377)
Rho

>  <Form> (377)
Free Base

>  <URL> (377)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

>  <CAS Number> (377)
1469337-95-8

$$$$
Salmeterol xinafoate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (378)
2348

>  <Formula> (378)
C36H45NO7

>  <MolWeight> (378)
603.745

>  <Item Name> (378)
Salmeterol Xinafoate

>  <Catalog Number> (378)
S4296

>  <Synonyms> (378)
N/A

>  <Target> (378)
Adrenergic Receptor

>  <Form> (378)
xinafoate

>  <URL> (378)
http://www.selleckchem.com/products/salmeterol-xinafoate.html

>  <CAS Number> (378)
94749-08-3

$$$$
PD128907.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (379)
2350

>  <Formula> (379)
C14H20ClNO3

>  <MolWeight> (379)
285.7665

>  <Item Name> (379)
PD128907 HCl

>  <Catalog Number> (379)
S2168

>  <Synonyms> (379)
PD128907

>  <Target> (379)
Dopamine Receptor

>  <Form> (379)
Hydrochloride

>  <URL> (379)
http://www.selleckchem.com/products/PD-128907.html

>  <CAS Number> (379)
112960-16-4

$$$$
LY2119620.cdx
csChFnd80/07261814072D

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361185-42-4

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Rho

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71203-35-5

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1230487-00-9

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Rho

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Free Base

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162520-00-5

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792173-99-0

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M  END
>  <Mol_ID> (392)
2503

>  <Formula> (392)
C13H10Cl3N5

>  <MolWeight> (392)
342.611

>  <Item Name> (392)
A-438079 HCl

>  <Catalog Number> (392)
S7705

>  <Synonyms> (392)
N/A

>  <Target> (392)
P2 Receptor

>  <Form> (392)
Hydrochloride

>  <URL> (392)
http://www.selleckchem.com/products/a-438079-hcl.html

>  <CAS Number> (392)
899431-18-6

$$$$
Ulipristal.cdx
csChFnd80/07261814072D

 34 38  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (393)
2515

>  <Formula> (393)
C28H35NO3

>  <MolWeight> (393)
433.5824

>  <Item Name> (393)
Ulipristal

>  <Catalog Number> (393)
S3081

>  <Synonyms> (393)
CDB-2914

>  <Target> (393)
Estrogen/progestogen Receptor

>  <Form> (393)
Free Base

>  <URL> (393)
http://www.selleckchem.com/products/ulipristal.html

>  <CAS Number> (393)
159811-51-5

$$$$
Licochalcone A.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (394)
2524

>  <Formula> (394)
C21H22O4

>  <MolWeight> (394)
338.39698

>  <Item Name> (394)
Licochalcone A

>  <Catalog Number> (394)
S7828

>  <Synonyms> (394)
N/A

>  <Target> (394)
Estrogen/progestogen Receptor

>  <Form> (394)
Free Base

>  <URL> (394)
http://www.selleckchem.com/products/licochalcone-a.html

>  <CAS Number> (394)
58749-22-7

$$$$
Endoxifen HCl.cdx
csChFnd80/07261814072D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (395)
2528

>  <Formula> (395)
C25H28ClNO2

>  <MolWeight> (395)
409.94832

>  <Item Name> (395)
Endoxifen HCl

>  <Catalog Number> (395)
S7839

>  <Synonyms> (395)
N/A

>  <Target> (395)
Estrogen/progestogen Receptor

>  <Form> (395)
Hydrochloride

>  <URL> (395)
http://www.selleckchem.com/products/endoxifen-hcl.html

>  <CAS Number> (395)
1032008-74-4

$$$$
S4117.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (396)
2542

>  <Formula> (396)
C5H15N3O8P2

>  <MolWeight> (396)
307.135422

>  <Item Name> (396)
Histamine Phosphate

>  <Catalog Number> (396)
S4117

>  <Synonyms> (396)
N/A

>  <Target> (396)
Histamine Receptor

>  <Form> (396)
Free Base

>  <URL> (396)
http://www.selleckchem.com/products/histamine-phosphate.html

>  <CAS Number> (396)
51-74-1

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/07261814072D

 35 38  0  0  0  0  0  0  0  0999 V2000
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N/A

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http://www.selleckchem.com/products/smoothened-agonist-sag-hcl.html

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912545-86-9

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S7883

>  <Synonyms> (398)
N/A

>  <Target> (398)
Endothelin Receptor

>  <Form> (398)
Free Base

>  <URL> (398)
http://www.selleckchem.com/products/bq-123.html

>  <CAS Number> (398)
136553-81-6

$$$$
ABC294640.cdx
csChFnd80/07261814072D

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2623

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>  <Synonyms> (399)
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>  <Target> (399)
S1P Receptor

>  <Form> (399)
Free Base

>  <URL> (399)
http://www.selleckchem.com/products/abc294640.html

>  <CAS Number> (399)
915385-81-8

$$$$
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2627

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C21H25ClO5S

>  <MolWeight> (400)
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Sotagliflozin (LX4211)

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S8103

>  <Synonyms> (400)
N/A

>  <Target> (400)
SGLT

>  <Form> (400)
Free Base

>  <URL> (400)
http://www.selleckchem.com/products/sotagliflozin-lx4211.html

>  <CAS Number> (400)
1018899-04-1

$$$$
Vorapaxar (SCH 530348).cdx
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2631

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C29H33FN2O4

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>  <Item Name> (401)
Vorapaxar (SCH 530348)

>  <Catalog Number> (401)
S8067

>  <Synonyms> (401)
SCH 530348, MK-5348

>  <Target> (401)
Protease-activated Receptor

>  <Form> (401)
Free Base

>  <URL> (401)
http://www.selleckchem.com/products/vorapaxar.html

>  <CAS Number> (401)
618385-01-6

$$$$
SKF38393.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (402)
2632

>  <Formula> (402)
C16H18ClNO2

>  <MolWeight> (402)
291.77262

>  <Item Name> (402)
SKF38393 HCl

>  <Catalog Number> (402)
S7993

>  <Synonyms> (402)
N/A

>  <Target> (402)
Dopamine Receptor

>  <Form> (402)
Hydrochloride

>  <URL> (402)
http://www.selleckchem.com/products/skf38393-hcl.html

>  <CAS Number> (402)
62717-42-4

$$$$
EPI-001.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (403)
2638

>  <Formula> (403)
C21H27ClO5

>  <MolWeight> (403)
394.88908

>  <Item Name> (403)
EPI-001

>  <Catalog Number> (403)
S7955

>  <Synonyms> (403)
N/A

>  <Target> (403)
Androgen Receptor

>  <Form> (403)
Free Base

>  <URL> (403)
http://www.selleckchem.com/products/epi-001.html

>  <CAS Number> (403)
227947-06-0

$$$$
NVP-TNKS656.cdx
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ACP-103

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5-HT Receptor

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Tartrate

>  <URL> (408)
http://www.selleckchem.com/products/pimavanserin.html

>  <CAS Number> (408)
706782-28-7

$$$$
ICI-118551(ICI-118,551).cdx
csChFnd80/07261814072D

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C17H28ClNO2

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313.86272

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ICI-118551(ICI-118,551) hydrochloride

>  <Catalog Number> (409)
S8114

>  <Synonyms> (409)
ICI-118,551

>  <Target> (409)
Adrenergic Receptor

>  <Form> (409)
Hydrochloride

>  <URL> (409)
http://www.selleckchem.com/products/ici-118551-ici-118-551.html

>  <CAS Number> (409)
1217094-53-5

$$$$
AS1842856.cdx
csChFnd80/07261814072D

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2713

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C18H22FN3O3

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AS1842856

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S8222

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N/A

>  <Target> (410)
Others

>  <Form> (410)
Free Base

>  <URL> (410)
http://www.selleckchem.com/products/as1842856.html

>  <CAS Number> (410)
836620-48-5

$$$$
Ponesimod (ACT-128800).cdx
csChFnd80/07261814072D

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>  <Mol_ID> (411)
2726

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C23H25ClN2O4S

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Ponesimod (ACT-128800)

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S8241

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ACT-128800

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S1P Receptor

>  <Form> (411)
Free Base

>  <URL> (411)
http://www.selleckchem.com/products/ponesimod-act-128800.html

>  <CAS Number> (411)
854107-55-4

$$$$
17-Hydroxyprogesterone.cdx
csChFnd80/07261814072D

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>  <Formula> (412)
C21H30O3

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>  <Item Name> (412)
17-Hydroxyprogesterone

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S4507

>  <Synonyms> (412)
N/A

>  <Target> (412)
Estrogen/progestogen Receptor

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/17-hydroxyprogesterone.html

>  <CAS Number> (412)
68-96-2

$$$$
4-Hydroxytamoxifen (4-HT, Afimoxifene).cdx
csChFnd80/07261814072D

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M  CFW   9 B_NG_STER 3
M  END
>  <Mol_ID> (413)
2738

>  <Formula> (413)
C26H29NO2

>  <MolWeight> (413)
387.51396

>  <Item Name> (413)
4-Hydroxytamoxifen

>  <Catalog Number> (413)
S7827

>  <Synonyms> (413)
Afimoxifene

>  <Target> (413)
Estrogen/progestogen Receptor

>  <Form> (413)
Free Base

>  <URL> (413)
http://www.selleckchem.com/products/4-hydroxytamoxifen-4-ht-afimoxifene.html

>  <CAS Number> (413)
68392-35-8

$$$$
(-)-MK 801 maleate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (414)
2748

>  <Formula> (414)
C20H19NO4

>  <MolWeight> (414)
337.36916

>  <Item Name> (414)
(-)-MK 801 maleate

>  <Catalog Number> (414)
S2857

>  <Synonyms> (414)
C13737

>  <Target> (414)
GluR

>  <Form> (414)
maleate

>  <URL> (414)
http://www.selleckchem.com/products/--mk-801-maleate.html

>  <CAS Number> (414)
121917-57-5

$$$$
(-)-MK 801 maleate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (415)
2749

>  <Formula> (415)
C20H19NO4

>  <MolWeight> (415)
337.36916

>  <Item Name> (415)
(+)-MK 801 maleate

>  <Catalog Number> (415)
S2876

>  <Synonyms> (415)
N/A

>  <Target> (415)
GluR

>  <Form> (415)
maleate

>  <URL> (415)
http://www.selleckchem.com/products/mk-801-maleate.html

>  <CAS Number> (415)
77086-22-7

$$$$
Citric acid trilithium salt tetrahydrate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (416)
2758

>  <Formula> (416)
C6H13Li3O11

>  <MolWeight> (416)
281.98382

>  <Item Name> (416)
Citric acid trilithium salt tetrahydrate

>  <Catalog Number> (416)
S4519

>  <Synonyms> (416)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (416)
Others

>  <Form> (416)
Free Base

>  <URL> (416)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

>  <CAS Number> (416)
6080-58-6

$$$$
Bithionol.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (417)
2771

>  <Formula> (417)
C12H6Cl4O2S

>  <MolWeight> (417)
356.05184

>  <Item Name> (417)
Bithionol

>  <Catalog Number> (417)
S4552

>  <Synonyms> (417)
Actamer

>  <Target> (417)
cAMP

>  <Form> (417)
Free Base

>  <URL> (417)
http://www.selleckchem.com/products/bithionol.html

>  <CAS Number> (417)
97-18-7

$$$$
Trihexyphenidyl (hydrochloride).cdx
csChFnd80/07261814072D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (418)
2778

>  <Formula> (418)
C20H32ClNO

>  <MolWeight> (418)
337.92718

>  <Item Name> (418)
Trihexyphenidyl hydrochloride

>  <Catalog Number> (418)
S4542

>  <Synonyms> (418)
Benzhexol hydrochloride, Artane hydrochloride

>  <Target> (418)
AChR

>  <Form> (418)
hydrochloride

>  <URL> (418)
http://www.selleckchem.com/products/trihexyphenidyl-hydrochloride.html

>  <CAS Number> (418)
52-49-3

$$$$
MI-136.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (419)
2795

>  <Formula> (419)
C23H21F3N6S

>  <MolWeight> (419)
470.5132496

>  <Item Name> (419)
MI-136

>  <Catalog Number> (419)
S7815

>  <Synonyms> (419)
N/A

>  <Target> (419)
Androgen Receptor

>  <Form> (419)
Free Base

>  <URL> (419)
http://www.selleckchem.com/products/mi-136.html

>  <CAS Number> (419)
1628316-74-4

$$$$
S4569 Fluphenazine (dihydrochloride).cdx
csChFnd80/07261814072D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (420)
2801

>  <Formula> (420)
C22H28Cl2F3N3OS

>  <MolWeight> (420)
510.4434296

>  <Item Name> (420)
Fluphenazine (dihydrochloride)

>  <Catalog Number> (420)
S4569

>  <Synonyms> (420)
Prolixin

>  <Target> (420)
Dopamine Receptor

>  <Form> (420)
dihydrochloride

>  <URL> (420)
http://www.selleckchem.com/products/fluphenazine-dihydrochloride.html

>  <CAS Number> (420)
146-56-5

$$$$
S4556 Carzenide.cdx
csChFnd80/07261814072D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (421)
2807

>  <Formula> (421)
C7H7NO4S

>  <MolWeight> (421)
201.19978

>  <Item Name> (421)
Carzenide

>  <Catalog Number> (421)
S4556

>  <Synonyms> (421)
4-Sulfamoylbenzoic acid

>  <Target> (421)
Others

>  <Form> (421)
Free Base

>  <URL> (421)
http://www.selleckchem.com/products/carzenide.html

>  <CAS Number> (421)
138-41-0

$$$$
Halothane.cdx
csChFnd80/07261814072D

  7  6  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (422)
2818

>  <Formula> (422)
C2HBrClF3

>  <MolWeight> (422)
197.3815496

>  <Item Name> (422)
Halothane

>  <Catalog Number> (422)
S4570

>  <Synonyms> (422)
Narcotane

>  <Target> (422)
Others

>  <Form> (422)
Free Base

>  <URL> (422)
http://www.selleckchem.com/products/halothane.html

>  <CAS Number> (422)
151-67-7

$$$$
ZM241385.cdx
csChFnd80/07261814072D

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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
  3  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  2  0  0  0  0
 12 13  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
 13 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
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
 14 13  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
>  <Mol_ID> (423)
2825

>  <Formula> (423)
C16H15N7O2

>  <MolWeight> (423)
337.336

>  <Item Name> (423)
ZM241385

>  <Catalog Number> (423)
S8105

>  <Synonyms> (423)
N/A
N/A

>  <Target> (423)
Adenosine Receptor

>  <Form> (423)
Free Base

>  <URL> (423)
http://www.selleckchem.com/products/zm241385.html

>  <CAS Number> (423)
139180-30-6

$$$$
S4619 Itopride hydrochloride.cdx
csChFnd80/07261814072D

 27 27  0  0  0  0  0  0  0  0999 V2000
    4.8175    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2430    2.1226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0050    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    2.8048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4726    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9236    2.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3912    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6210    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8505    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0803    0.6991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2929    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0803    2.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5753    3.1559    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 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
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (424)
2842

>  <Formula> (424)
C20H27ClN2O4

>  <MolWeight> (424)
394.89238

>  <Item Name> (424)
Itopride hydrochloride

>  <Catalog Number> (424)
S4619

>  <Synonyms> (424)
Ganaton, HSR803

>  <Target> (424)
AChR

>  <Form> (424)
hydrochloride

>  <URL> (424)
http://www.selleckchem.com/products/itopride-hydrochloride.html

>  <CAS Number> (424)
122892-31-3

$$$$
S4625 Alcaftadine.cdx
csChFnd80/07261814072D

 23 26  0  0  0  0  0  0  0  0999 V2000
    2.3905    6.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1118    7.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    5.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    5.5257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984    7.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269    6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9377    6.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    4.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0110    8.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6535    1.3795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2438    7.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4898    8.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6997   10.1490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8845    2.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6535    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5386    7.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    5.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5656    7.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  6  4  1  0  0  0  0
 13  5  1  0  0  0  0
  6  5  2  0  0  0  0
 11  7  2  0  0  0  0
 19  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 12  9  1  0  0  0  0
 10 17  1  0  0  0  0
 20 10  1  0  0  0  0
 10 18  1  0  0  0  0
 21 11  1  0  0  0  0
 12 11  1  0  0  0  0
 16 13  2  0  0  0  0
 18 14  1  0  0  0  0
 17 15  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (425)
2848

>  <Formula> (425)
C19H21N3O

>  <MolWeight> (425)
307.38954

>  <Item Name> (425)
Alcaftadine

>  <Catalog Number> (425)
S4625

>  <Synonyms> (425)
Lastacaft, R89674, R 89674, R-89674

>  <Target> (425)
Histamine Receptor

>  <Form> (425)
Free Base

>  <URL> (425)
http://www.selleckchem.com/products/alcaftadine.html

>  <CAS Number> (425)
147084-10-4

$$$$
S4629 Chlorotrianisene.cdx
csChFnd80/07261814072D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.0003    2.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3003    3.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4003    2.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3003    1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9907    4.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840    3.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0957    1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0939    3.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003    1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0003    0.0060    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2936    6.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1754    4.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5061    1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4887    3.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1969    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2008    2.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9244    6.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2200    2.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5955    2.4630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3085    3.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052    1.2179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (426)
2851

>  <Formula> (426)
C23H21ClO3

>  <MolWeight> (426)
380.86404

>  <Item Name> (426)
Chlorotrianisene

>  <Catalog Number> (426)
S4629

>  <Synonyms> (426)
tri-p-anisylchloroethylene, tris(p-methoxyphenyl)chloroethylene, TACE, CTA

>  <Target> (426)
Estrogen/progestogen Receptor

>  <Form> (426)
Free Base

>  <URL> (426)
http://www.selleckchem.com/products/chlorotrianisene.html

>  <CAS Number> (426)
569-57-3

$$$$
S4618 Fenoldopam (mesylate).cdx
csChFnd80/07261814072D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.6362    6.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7484    5.4602    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0906    5.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7091    7.0224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061    8.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7571    8.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484    7.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    8.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4177    5.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360    4.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1411    3.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    2.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8108    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1058    1.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4942    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4983    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0097    8.4676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9659    3.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3659    3.6529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3659    5.0529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3659    2.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    3.6529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  1 11  2  0  0  0  0
  1  7  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
  2 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (427)
2854

>  <Formula> (427)
C17H20ClNO6S

>  <MolWeight> (427)
401.8618

>  <Item Name> (427)
Fenoldopam (mesylate)

>  <Catalog Number> (427)
S4618

>  <Synonyms> (427)
SKF 82526 (mesylate), Fenoldopam methanesulfonate, Corlopam mesylate

>  <Target> (427)
Dopamine Receptor

>  <Form> (427)
mesylate

>  <URL> (427)
http://www.selleckchem.com/products/fenoldopam-mesylate.html

>  <CAS Number> (427)
67227-57-0

$$$$
S4617 Dextromethorphan hydrobromide hydrate.cdx
csChFnd80/07261814072D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.6599    0.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7818    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    3.7987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2000    3.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.0112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    6.2236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7000    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (428)
2855

>  <Formula> (428)
C18H28BrNO2

>  <MolWeight> (428)
370.32442

>  <Item Name> (428)
Dextromethorphan (hydrobromide hydrate)

>  <Catalog Number> (428)
S4617

>  <Synonyms> (428)
Dextromethorphan hydrobromide monohydrate

>  <Target> (428)
AChR

>  <Form> (428)
hydrobromide

>  <URL> (428)
http://www.selleckchem.com/products/dextromethorphan-hydrobromide-hydrate.html

>  <CAS Number> (428)
6700-34-1

$$$$
L755507.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (429)
2858

>  <Formula> (429)
C30H40N4O6S

>  <MolWeight> (429)
584.7268

>  <Item Name> (429)
L755507

>  <Catalog Number> (429)
S7974

>  <Synonyms> (429)
N/A

>  <Target> (429)
Adrenergic Receptor

>  <Form> (429)
Free Base

>  <URL> (429)
http://www.selleckchem.com/products/l755507.html

>  <CAS Number> (429)
159182-43-1

$$$$
S4639 Brexpiprazole.cdx
csChFnd80/07261814072D

 31 35  0  0  0  0  0  0  0  0999 V2000
   14.3619    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5790    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7960    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5790    4.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0034    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (430)
2860

>  <Formula> (430)
C25H27N3O2S

>  <MolWeight> (430)
433.56578

>  <Item Name> (430)
Brexpiprazole

>  <Catalog Number> (430)
S4639

>  <Synonyms> (430)
OPC-34712, OPC 34712, OPC34712

>  <Target> (430)
Dopamine Receptor

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/brexpiprazole.html

>  <CAS Number> (430)
913611-97-9

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/07261814072D

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A   23
?1.5H2O?
M  END
>  <Mol_ID> (431)
2863

>  <Formula> (431)
C21H22ClNR

>  <MolWeight> (431)
323.85908

>  <Item Name> (431)
Cyproheptadine hydrochloride

>  <Catalog Number> (431)
S4635

>  <Synonyms> (431)
Periactin hydrochloride, Peritol

>  <Target> (431)
5-HT Receptor

>  <Form> (431)
Hydrochloride Sesquihydrate

>  <URL> (431)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride.html

>  <CAS Number> (431)
41354-29-4

$$$$
Kobe0065.cdx
csChFnd80/07261814072D

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 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (432)
2871

>  <Formula> (432)
C15H11ClF3N5O4S

>  <MolWeight> (432)
449.7921496

>  <Item Name> (432)
Kobe0065

>  <Catalog Number> (432)
S8303

>  <Synonyms> (432)
N/A

>  <Target> (432)
Rho

>  <Form> (432)
Free Base

>  <URL> (432)
http://www.selleckchem.com/products/kobe0065.html

>  <CAS Number> (432)
436133-68-5

$$$$
S4588 Docusate (Sodium).cdx
csChFnd80/07261814072D

 29 27  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6669    0.0281    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (433)
2879

>  <Formula> (433)
C20H37NaO7S

>  <MolWeight> (433)
444.55835

>  <Item Name> (433)
Docusate Sodium

>  <Catalog Number> (433)
S4588

>  <Synonyms> (433)
Aerosol OT, Bis(2-ethylhexyl) sulfosuccinate sodium salt, Constonate

>  <Target> (433)
Opioid Receptor

>  <Form> (433)
sodium salt

>  <URL> (433)
http://www.selleckchem.com/products/docusate-sodium.html

>  <CAS Number> (433)
577-11-7

$$$$
S4649 Atipamezole hydrochloride.cdx
csChFnd80/07261814072D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.5879    3.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0945    2.8965    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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 11  1  1  0  0  0  0
  3  2  1  0  0  0  0
 10  2  2  0  0  0  0
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  6  5  1  0  0  0  0
 13  6  1  0  0  0  0
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 12  7  1  0  0  0  0
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 14 11  1  0  0  0  0
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 16 13  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (434)
2883

>  <Formula> (434)
C14H17ClN2

>  <MolWeight> (434)
248.75118

>  <Item Name> (434)
Atipamezole hydrochloride

>  <Catalog Number> (434)
S4649

>  <Synonyms> (434)
Antisedan, MPV-1248 hydrochloride, MPV1248 hydrochloride, MPV 1248 hydrochloride

>  <Target> (434)
Adrenergic Receptor

>  <Form> (434)
hydrochloride

>  <URL> (434)
http://www.selleckchem.com/products/atipamezole-hydrochloride.html

>  <CAS Number> (434)
104075-48-1

$$$$
S4624 Methylbenactyzine Bromide.cdx
csChFnd80/07261814072D

 26 26  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5373    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (435)
2886

>  <Formula> (435)
C21H28BrNO3

>  <MolWeight> (435)
422.35592

>  <Item Name> (435)
Methylbenactyzine Bromide

>  <Catalog Number> (435)
S4623

>  <Synonyms> (435)
Gastrimade, Noinarin, Paragone, Semulgin

>  <Target> (435)
AChR

>  <Form> (435)
bromide 

>  <URL> (435)
http://selleckchem.com/products/methylbenactyzine-bromide.html

>  <CAS Number> (435)
3166-62-9

$$$$
5-Iodotubercidin.cdx
csChFnd80/07261814072D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  7 13  1  0  0  0  0
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M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (436)
2896

>  <Formula> (436)
C11H13IN4O4

>  <MolWeight> (436)
392.14979

>  <Item Name> (436)
5-Iodotubercidin

>  <Catalog Number> (436)
S8314

>  <Synonyms> (436)
NSC 113939, 5-ITu

>  <Target> (436)
Adenosine Receptor

>  <Form> (436)
Free Base

>  <URL> (436)
http://www.selleckchem.com/products/5-iodotubercidin.html

>  <CAS Number> (436)
24386-93-4

$$$$
S4679 Terazosin.cdx
csChFnd80/07261814072D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   10.9125    6.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1339    5.6312    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9125    7.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1339    4.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4645    6.0671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4645    3.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2730    4.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6589    0.7931    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  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
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (437)
2901

>  <Formula> (437)
C19H26ClN5O4

>  <MolWeight> (437)
423.89384

>  <Item Name> (437)
Terazosin HCl 

>  <Catalog Number> (437)
S4679

>  <Synonyms> (437)
Terazosin, Hytrin, Zayasel, Terazosine, Flumarc, Fosfomic, Blavin

>  <Target> (437)
Adrenergic Receptor

>  <Form> (437)
hydrochloride

>  <URL> (437)
http://www.selleckchem.com/products/terazosin.html

>  <CAS Number> (437)
63074-08-8

$$$$
S4694 Alosetron Hydrochloride.cdx
csChFnd80/07261814072D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.7657    1.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1055    2.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1055    3.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7824    4.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2224    5.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8312    5.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5600    3.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9512    3.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3183    4.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3141    1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5169    2.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5169    3.7105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3183    5.8194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7433    4.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1680    3.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2434    4.2526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9705    3.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0963    2.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4680    1.9955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0491    1.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3233    0.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9163    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 13  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
 10 14  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
 16 20  2  0  0  0  0
 19 21  1  0  0  0  0
 15 18  1  0  0  0  0
 13 15  1  0  0  0  0
  1 22  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (438)
2907

>  <Formula> (438)
C17H19ClN4O

>  <MolWeight> (438)
330.81196

>  <Item Name> (438)
Alosetron Hydrochloride

>  <Catalog Number> (438)
S4694

>  <Synonyms> (438)
GR 68755C, GR 68755, GR 68755X, Lotronex, GR-68755, GR68755

>  <Target> (438)
5-HT Receptor

>  <Form> (438)
hydrochloride

>  <URL> (438)
http://www.selleckchem.com/products/alosetron-hydrochloride.html

>  <CAS Number> (438)
122852-69-1

$$$$
S4693 Guanfacine Hydrochloride.cdx
csChFnd80/07261814072D

 16 15  0  0  0  0  0  0  0  0999 V2000
    2.4233    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6357    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6357    0.0019    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.2055    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    2.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    0.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4855    2.8033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    0.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1430    0.5369    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (439)
2908

>  <Formula> (439)
C9H10Cl3N3O

>  <MolWeight> (439)
282.5542

>  <Item Name> (439)
Guanfacine Hydrochloride

>  <Catalog Number> (439)
S4693

>  <Synonyms> (439)
Guanfacine Hydrochloride, Guanfacine, Tenex, Intuniv

>  <Target> (439)
5-HT Receptor

>  <Form> (439)
hydrochloride

>  <URL> (439)
http://www.selleckchem.com/products/guanfacine-hydrochloride.html

>  <CAS Number> (439)
29110-48-3

$$$$
S4660 Glycopyrrolate.cdx
csChFnd80/07261814072D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.4438    3.7042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6562    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1438    2.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2313    3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438    4.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8123    5.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9135    3.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5437    2.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4438    1.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0189    3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2313    1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1825    6.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8969    4.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2480    1.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1395    0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8065    3.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5416    0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6504    1.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5492    3.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2802    1.3322    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5658    2.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5199    4.9961    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 13  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (440)
2913

>  <Formula> (440)
C19H28BrNO3

>  <MolWeight> (440)
398.33452

>  <Item Name> (440)
Glycopyrrolate

>  <Catalog Number> (440)
S4660

>  <Synonyms> (440)
Glycopyrrolate bromide, Glycopyrronium bromide, Robinul, Gastrodyn

>  <Target> (440)
AChR

>  <Form> (440)
bromide

>  <URL> (440)
http://www.selleckchem.com/products/glycopyrrolate.html

>  <CAS Number> (440)
596-51-0

$$$$
S4655 Sulpiride.cdx
csChFnd80/07261814072D

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.5985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.6985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.7985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3985    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.6985    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8458    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    4.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    2.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8054    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    3.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0965    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (441)
2916

>  <Formula> (441)
C15H23N3O4S

>  <MolWeight> (441)
341.42582

>  <Item Name> (441)
Sulpiride

>  <Catalog Number> (441)
S4655

>  <Synonyms> (441)
Dolmatil, Dobren, Sulpyrid, Aiglonyl, Dogmatil

>  <Target> (441)
Dopamine Receptor

>  <Form> (441)
Free Base

>  <URL> (441)
http://www.selleckchem.com/products/sulpiride.html

>  <CAS Number> (441)
15676-16-1

$$$$
S4654 Netupitant.cdx
csChFnd80/07261814072D

 41 44  0  0  0  0  0  0  0  0999 V2000
    8.4719    6.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6843    6.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8967    5.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2594    6.0590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4719    8.1590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0402    8.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2594    8.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2594   10.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0466   10.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484   10.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    8.8629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233   10.9612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233   12.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219   13.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256   12.3777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256   10.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   10.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756   10.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756   12.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6936   13.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183   12.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183   10.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7053   10.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730   13.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3843    7.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Netupitant

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S4654

>  <Synonyms> (442)
CID6451149, CID 6451149, CID-6451149

>  <Target> (442)
Substance P

>  <Form> (442)
Free Base

>  <URL> (442)
http://www.selleckchem.com/products/netupitant.html

>  <CAS Number> (442)
290297-26-6

$$$$
S4646 Ciclesonide.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (443)
2920

>  <Formula> (443)
C32H44O7

>  <MolWeight> (443)
540.68756

>  <Item Name> (443)
Ciclesonide

>  <Catalog Number> (443)
S4646

>  <Synonyms> (443)
Ciclesonide, Alvesco, Omnaris, RPR251526, Zetonna

>  <Target> (443)
Others

>  <Form> (443)
Free Base

>  <URL> (443)
http://www.selleckchem.com/products/ciclesonide.html

>  <CAS Number> (443)
126544-47-6

$$$$
S4637 Prasugrel Hydrochloride.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (444)
2921

>  <Formula> (444)
C20H21ClFNO3S

>  <MolWeight> (444)
409.9020432

>  <Item Name> (444)
Prasugrel Hydrochloride

>  <Catalog Number> (444)
S4637

>  <Synonyms> (444)
Prasugrel HCl, LY 640315

>  <Target> (444)
P2 Receptor

>  <Form> (444)
hydrochloride

>  <URL> (444)
http://www.selleckchem.com/products/prasugrel-hydrochloride.html

>  <CAS Number> (444)
389574-19-0

$$$$
S4696 ArbinoxaMine Maleate.cdx
csChFnd80/07261814072D

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>  <Mol_ID> (445)
2932

>  <Formula> (445)
C20H23ClN2O5

>  <MolWeight> (445)
406.86002

>  <Item Name> (445)
arbinoxaMine Maleate

>  <Catalog Number> (445)
S4696

>  <Synonyms> (445)
N/A

>  <Target> (445)
Histamine Receptor

>  <Form> (445)
maleate

>  <URL> (445)
http://www.selleckchem.com/products/arbinoxamine-maleate.html

>  <CAS Number> (445)
3505-38-2

$$$$
XENAZINE (tetrabenazine).cdx
csChFnd80/07261814072D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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M  END
>  <Mol_ID> (446)
2937

>  <Formula> (446)
C19H27NO3

>  <MolWeight> (446)
317.42258

>  <Item Name> (446)
Tetrabenazine (Nitoman, Xenazine)

>  <Catalog Number> (446)
S1789

>  <Synonyms> (446)
N/A

>  <Target> (446)
5-alpha Reductase

>  <Form> (446)
Free Base

>  <URL> (446)
http://www.selleckchem.com/products/Tetrabenazine(Nitoman).html

>  <CAS Number> (446)
58-46-8

$$$$
Rivastigmine.cdx
csChFnd80/07261814072D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (447)
2958

>  <Formula> (447)
C14H22N2O2

>  <MolWeight> (447)
250.33668

>  <Item Name> (447)
Rivastigmine

>  <Catalog Number> (447)
S4687

>  <Synonyms> (447)
Rivastigmine, SDZ-ENA 713, Exelon

>  <Target> (447)
AChR

>  <Form> (447)
Free Base

>  <URL> (447)
http://www.selleckchem.com/products/rivastigmine.html

>  <CAS Number> (447)
123441-03-2

$$$$
S4673 Etonogestrel.cdx
csChFnd80/07261814072D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.3104    4.1694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (448)
2966

>  <Formula> (448)
C22H28O2

>  <MolWeight> (448)
324.45652

>  <Item Name> (448)
Etonogestrel

>  <Catalog Number> (448)
S4673

>  <Synonyms> (448)
Implanon, Nexplanon, 3-Oxodesogestrel, 3-keto-Desogestrel

>  <Target> (448)
Estrogen/progestogen Receptor

>  <Form> (448)
Free Base

>  <URL> (448)
http://www.selleckchem.com/products/etonogestrel.html

>  <CAS Number> (448)
54048-10-1

$$$$
Liraglutide.cdx
csChFnd80/07261814072D

266271  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (449)
2978

>  <Formula> (449)
C172H265N43O51

>  <MolWeight> (449)
3751.202

>  <Item Name> (449)
Liraglutide

>  <Catalog Number> (449)
S8256

>  <Synonyms> (449)
Victoza, Liraglutida, Liraglutidum, NN2211, NN-2211

>  <Target> (449)
Others

>  <Form> (449)
Free Base

>  <URL> (449)
http://www.selleckchem.com/products/liraglutide.html

>  <CAS Number> (449)
204656-20-2

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (450)
2990

>  <Formula> (450)
C10H7NO3

>  <MolWeight> (450)
189.16748

>  <Item Name> (450)
Kynurenic acid

>  <Catalog Number> (450)
S4719

>  <Synonyms> (450)
Quinurenic acid|Kynurenate

>  <Target> (450)
Others

>  <Form> (450)
Free Base

>  <URL> (450)
http://www.selleckchem.com/products/kynurenic-acid.html

>  <CAS Number> (450)
492-27-3

$$$$
S4714 (-)-Menthol.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (451)
2998

>  <Formula> (451)
C10H20O

>  <MolWeight> (451)
156.2652

>  <Item Name> (451)
(-)-Menthol

>  <Catalog Number> (451)
S4714

>  <Synonyms> (451)
L-Menthol|Levomenthol|Menthomenthol|Menthacamphor

>  <Target> (451)
Others

>  <Form> (451)
Free Base

>  <URL> (451)
http://www.selleckchem.com/products/-menthol.html

>  <CAS Number> (451)
2216-51-5

$$$$
ATI-2341.cdx
csChFnd80/07261814072D

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ATI-2341

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CXCR

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Free Base

>  <URL> (452)
http://www.selleckchem.com/products/ati-2341.html

>  <CAS Number> (452)
1337878-62-2

$$$$
ZK756326.cdx
csChFnd80/07261814072D

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N/A

>  <Target> (453)
CXCR

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Dihydrochloride

>  <URL> (453)
http://www.selleckchem.com/products/zk756326.html

>  <CAS Number> (453)
874911-96-3

$$$$
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csChFnd80/07261814072D

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S4700

>  <Synonyms> (454)
4-Aminobutanoic acid, GABA, Gamma-aminobutyric acid, Piperidic acid

>  <Target> (454)
GABA Receptor

>  <Form> (454)
Free Base

>  <URL> (454)
http://www.selleckchem.com/products/4-aminobutyric-acid.html

>  <CAS Number> (454)
56-12-2

$$$$
S4709 Latanoprost.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (455)
3032

>  <Formula> (455)
C26H40O5

>  <MolWeight> (455)
432.5928

>  <Item Name> (455)
Latanoprost

>  <Catalog Number> (455)
S4709

>  <Synonyms> (455)
Xalatan, PhXA41, PHXA-41

>  <Target> (455)
GPR

>  <Form> (455)
Free Base

>  <URL> (455)
http://www.selleckchem.com/products/latanoprost.html

>  <CAS Number> (455)
130209-82-4

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (456)
3036

>  <Formula> (456)
C21H26ClN3OS

>  <MolWeight> (456)
403.96864

>  <Item Name> (456)
Perphenazine

>  <Catalog Number> (456)
S4731

>  <Synonyms> (456)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (456)
Dopamine Receptor

>  <Form> (456)
Free Base

>  <URL> (456)
http://www.selleckchem.com/products/perphenazine.html

>  <CAS Number> (456)
58-39-9

$$$$
Prochlorperazine dimaleate salt.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (457)
3037

>  <Formula> (457)
C28H32ClN3O8S

>  <MolWeight> (457)
606.08698

>  <Item Name> (457)
Prochlorperazine dimaleate salt

>  <Catalog Number> (457)
S4631

>  <Synonyms> (457)
Prochlorperazin, Compazine, Capazine, Stemetil

>  <Target> (457)
Dopamine Receptor

>  <Form> (457)
dimaleate

>  <URL> (457)
http://www.selleckchem.com/products/prochlorperazine.html

>  <CAS Number> (457)
84-02-6

$$$$
ÐÂ½¨ CS ChemDraw Drawing.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (458)
3055

>  <Formula> (458)
C28H31NO5

>  <MolWeight> (458)
461.54944

>  <Item Name> (458)
ONO-7300243

>  <Catalog Number> (458)
S8345

>  <Synonyms> (458)
ONO 7300243, ONO7300243

>  <Target> (458)
LPA Receptor

>  <Form> (458)
Free Base

>  <URL> (458)
http://www.selleckchem.com/products/ono-7300243.html

>  <CAS Number> (458)
638132-34-0

$$$$
S4729 Tamsulosin hydrochloride.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (459)
3062

>  <Formula> (459)
C20H29ClN2O5S

>  <MolWeight> (459)
444.97266

>  <Item Name> (459)
Tamsulosin hydrochloride

>  <Catalog Number> (459)
S4729

>  <Synonyms> (459)
Tamsulosina hydrochloride, Tamsulosinum hydrochloride

>  <Target> (459)
Adrenergic Receptor

>  <Form> (459)
hydrochloride

>  <URL> (459)
http://www.selleckchem.com/products/tamsulosin-hydrochloride.html

>  <CAS Number> (459)
106463-17-6

$$$$
S4747 Jervine.cdx
csChFnd80/07261814072D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (460)
3105

>  <Formula> (460)
C27H39NO3

>  <MolWeight> (460)
425.60346

>  <Item Name> (460)
Jervine

>  <Catalog Number> (460)
S4747

>  <Synonyms> (460)
11-Ketocyclopamine

>  <Target> (460)
Hedgehog/Smoothened

>  <Form> (460)
Free Base

>  <URL> (460)
http://www.selleckchem.com/products/jervine.html

>  <CAS Number> (460)
469-59-0

$$$$
PACAP 1-27.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (461)
3128

>  <Formula> (461)
C142H224N40O39S

>  <MolWeight> (461)
3147.60756

>  <Item Name> (461)
PACAP 1-27

>  <Catalog Number> (461)
S8414

>  <Synonyms> (461)
N/A

>  <Target> (461)
cAMP

>  <Form> (461)
Free Base

>  <URL> (461)
http://www.selleckchem.com/products/pacap-1-27.html

>  <CAS Number> (461)
127317-03-7

$$$$
AMD3465.cdx
csChFnd80/07261814072D

 36 32  0  0  0  0  0  0  0  0999 V2000
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   19.4445   24.7744    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (462)
3141

>  <Formula> (462)
C24H44Br6N6

>  <MolWeight> (462)
896.07036

>  <Item Name> (462)
AMD3465 hexahydrobromide

>  <Catalog Number> (462)
S2879

>  <Synonyms> (462)
N/A

>  <Target> (462)
CXCR

>  <Form> (462)
HBr

>  <URL> (462)
http://www.selleckchem.com/products/amd3465.html

>  <CAS Number> (462)
185991-07-5, 185991-24-6 (free base)

$$$$
JTE-013.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (463)
3145

>  <Formula> (463)
C17H19Cl2N7O

>  <MolWeight> (463)
408.28506

>  <Item Name> (463)
JTE-013

>  <Catalog Number> (463)
S7182

>  <Synonyms> (463)
N/A

>  <Target> (463)
S1P Receptor

>  <Form> (463)
Free Base

>  <URL> (463)
http://www.selleckchem.com/products/jte-013.html

>  <CAS Number> (463)
383150-41-2

$$$$
S4749 Citalopram HBr.cdx
csChFnd80/07261814072D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
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  6 10  1  0  0  0  0
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 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  3  0  0  0  0
M  END
>  <Mol_ID> (464)
3148

>  <Formula> (464)
C20H22BrFN2O

>  <MolWeight> (464)
405.3038832

>  <Item Name> (464)
Citalopram HBr

>  <Catalog Number> (464)
S4749

>  <Synonyms> (464)
Nitalapram HBr, Prepram HBr, Bonitrile HBr, Lu 10-171 HBr

>  <Target> (464)
5-HT Receptor

>  <Form> (464)
hydrobromide

>  <URL> (464)
http://www.selleckchem.com/products/citalopram-hbr.html

>  <CAS Number> (464)
59729-32-7

$$$$
S4748 Ondansetron HCl.cdx
csChFnd80/07261814072D

 25 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5  7  1  0  0  0  0
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  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
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 11 16  2  0  0  0  0
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 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (465)
3149

>  <Formula> (465)
C18H24ClN3O3

>  <MolWeight> (465)
365.85446

>  <Item Name> (465)
Ondansetron Hydrochloride Dihydrate

>  <Catalog Number> (465)
S4748

>  <Synonyms> (465)
N/A

>  <Target> (465)
5-HT Receptor

>  <Form> (465)
hydrochloride

>  <URL> (465)
http://www.selleckchem.com/products/ondansetron-hcl.html

>  <CAS Number> (465)
103639-04-9

$$$$
S4751 Cisapride.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (466)
3151

>  <Formula> (466)
C23H31ClFN3O5

>  <MolWeight> (466)
483.9607432

>  <Item Name> (466)
Cisapride hydrate

>  <Catalog Number> (466)
S4751

>  <Synonyms> (466)
Propulsid, Alimix, Propulsin, Enteropride, Kinestase

>  <Target> (466)
5-HT Receptor

>  <Form> (466)
hydrate

>  <URL> (466)
http://www.selleckchem.com/products/cisapride.html

>  <CAS Number> (466)
260779-88-2

$$$$
PACAP 6-38.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (467)
3157

>  <Formula> (467)
C182H300N56O45S

>  <MolWeight> (467)
4024.7426

>  <Item Name> (467)
PACAP 6-38

>  <Catalog Number> (467)
S8416

>  <Synonyms> (467)
N/A

>  <Target> (467)
cAMP

>  <Form> (467)
Free Base

>  <URL> (467)
http://www.selleckchem.com/products/pacap-6-38.html

>  <CAS Number> (467)
143748-18-9

$$$$
Azatadine dimaleate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (468)
3193

>  <Formula> (468)
C28H30N2O8

>  <MolWeight> (468)
522.5464

>  <Item Name> (468)
Azatadine dimaleate

>  <Catalog Number> (468)
S3186

>  <Synonyms> (468)
SCH10649

>  <Target> (468)
Histamine Receptor

>  <Form> (468)
Dimaleate

>  <URL> (468)
http://www.selleckchem.com/products/azatadine-dimaleate.html

>  <CAS Number> (468)
3978-86-7

$$$$
Lixisenatide.cdx
csChFnd80/07261814072D

343350  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (469)
3225

>  <Formula> (469)
C215H347N61O65S

>  <MolWeight> (469)
4858.49038

>  <Item Name> (469)
Lixisenatide

>  <Catalog Number> (469)
S8517

>  <Synonyms> (469)
Lyxumia, Adlyxin, ZP10A peptide, AVE0010

>  <Target> (469)
GLP-1R

>  <Form> (469)
free base

>  <URL> (469)
http://www.selleckchem.com/products/lixisenatide.html

>  <CAS Number> (469)
827033-10-3

$$$$
Ipragliflozin(ASP1941).cdx
csChFnd80/07261814072D

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    9.1870    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    3.7563    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0870    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0792    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
  2  8  1  6  0  0  0
  3  9  1  1  0  0  0
  4 10  1  6  0  0  0
  5 11  1  1  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 13 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 19  1  0  0  0  0
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 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
  7 28  1  0  0  0  0
M  END
>  <Mol_ID> (470)
3275

>  <Formula> (470)
C21H21FO5S

>  <MolWeight> (470)
404.4518432

>  <Item Name> (470)
Ipragliflozin (ASP1941)

>  <Catalog Number> (470)
S8637

>  <Synonyms> (470)
N/A

>  <Target> (470)
SGLT2 

>  <Form> (470)
free base

>  <URL> (470)
http://www.selleckchem.com/products/ipragliflozin-asp-1941.html

>  <CAS Number> (470)
761423-87-4

$$$$
S3698 Nortriptyline (hydrochloride).cdx
csChFnd80/07261814072D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.8680    4.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1638    4.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    4.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5262    6.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1538    3.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3826    6.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5817    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    2.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6948    7.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785    6.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8684    5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2557    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4643    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1411    2.0332    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (471)
3298

>  <Formula> (471)
C19H22ClN

>  <MolWeight> (471)
299.83768

>  <Item Name> (471)
Nortriptyline hydrochloride

>  <Catalog Number> (471)
S3698

>  <Synonyms> (471)
ELF-101 hydrochloride, EN-7048 hydrochloride, Desmethylamitriptyline hydrochloride

>  <Target> (471)
Kv channels

>  <Form> (471)
hydrochloride

>  <URL> (471)
http://www.selleckchem.com/products/nortriptyline-hydrochloride.html

>  <CAS Number> (471)
894-71-3

$$$$
S3701 Benactyzine hydrochloride.cdx
csChFnd80/07261814072D

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6286    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666    4.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2768    4.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4903    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022    4.9001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9149    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9148    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1272    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5163    1.5549    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.4162    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4162    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  2  1  0  0  0  0
  3 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24  3  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
>  <Mol_ID> (472)
3300

>  <Formula> (472)
C20H26ClNO3

>  <MolWeight> (472)
363.87834

>  <Item Name> (472)
Benactyzine hydrochloride

>  <Catalog Number> (472)
S3701

>  <Synonyms> (472)
N/A

>  <Target> (472)
AChR

>  <Form> (472)
hydrochloride

>  <URL> (472)
http://www.selleckchem.com/products/benactyzine-hydrochloride.html

>  <CAS Number> (472)
57-37-4

$$$$
CPI-444.cdx
csChFnd80/07261814072D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.8723    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8723    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    3.7271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2972    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2972    5.8271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408    6.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179    5.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408    3.9944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5096    3.7271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2174    8.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.7897    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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 11 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 22 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (473)
3305

>  <Formula> (473)
C16H12FN5O

>  <MolWeight> (473)
309.2977832

>  <Item Name> (473)
A2AR antagonist 1

>  <Catalog Number> (473)
S8575

>  <Synonyms> (473)
N/A

>  <Target> (473)
A2AR,A1R

>  <Form> (473)
free base

>  <URL> (473)
http://www.selleckchem.com/products/a2ar-antagonist-1.html

>  <CAS Number> (473)
443103-97-7

$$$$
S3627 Tryptamine.cdx
csChFnd80/07261814072D

 12 13  0  0  0  0  0  0  0  0999 V2000
    5.9680    5.5188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5444    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    3.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7534    2.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5839    1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7686    0.2845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2266    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095    0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  4 12  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Mol_ID> (474)
3324

>  <Formula> (474)
C10H12N2

>  <MolWeight> (474)
160.21568

>  <Item Name> (474)
Tryptamine

>  <Catalog Number> (474)
S3627

>  <Synonyms> (474)
N/A

>  <Target> (474)
5-HT receptor

>  <Form> (474)
free base

>  <URL> (474)
http://www.selleckchem.com/products/tryptamine.html

>  <CAS Number> (474)
61-54-1

$$$$
S3684 Methacholine chloride.cdx
csChFnd80/07261814072D

 12 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3725    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    3.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    3.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    1.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8978    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (475)
3329

>  <Formula> (475)
C8H18ClNO2

>  <MolWeight> (475)
195.68702

>  <Item Name> (475)
Methacholine chloride

>  <Catalog Number> (475)
S3684

>  <Synonyms> (475)
Mecholyl chloride, Acetyl-¦Â-methylcholine chloride

>  <Target> (475)
muscarinic receptor

>  <Form> (475)
chloride

>  <URL> (475)
http://www.selleckchem.com/products/methacholine-chloride.html

>  <CAS Number> (475)
62-51-1

$$$$
S3726 Selexipag.cdx
csChFnd80/07261814072D

 35 37  0  0  0  0  0  0  0  0999 V2000
   15.7696    4.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5545    4.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7750    2.8557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9793    4.9604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1944    4.2650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.4991    3.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8898    5.4801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4096    3.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3447    4.2464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1296    4.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9199    4.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7048    4.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (476)
3358

>  <Formula> (476)
C26H32N4O4S

>  <MolWeight> (476)
496.62168

>  <Item Name> (476)
Selexipag

>  <Catalog Number> (476)
S3726

>  <Synonyms> (476)
NS-304, ACT-293987

>  <Target> (476)
prostacyclin IP receptor

>  <Form> (476)
free base

>  <URL> (476)
http://www.selleckchem.com/products/selexipag.html

>  <CAS Number> (476)
475086-01-2

$$$$
S3727 Vilanterol Trifenate.cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (477)
3373

>  <Formula> (477)
C44H49Cl2NO7

>  <MolWeight> (477)
774.76836

>  <Item Name> (477)
Vilanterol Trifenate

>  <Catalog Number> (477)
S3727

>  <Synonyms> (477)
GW642444M Trifenate

>  <Target> (477)
¦Â2-adrenoceptor

>  <Form> (477)
trifenatate

>  <URL> (477)
http://www.selleckchem.com/products/vilanterol-trifenate.html

>  <CAS Number> (477)
503070-58-4

$$$$
S3656 Piribedil.cdx
csChFnd80/07261814072D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (478)
3375

>  <Formula> (478)
C16H18N4O2

>  <MolWeight> (478)
298.33972

>  <Item Name> (478)
Piribedil

>  <Catalog Number> (478)
S3656

>  <Synonyms> (478)
Trivastal, Trivastan

>  <Target> (478)
D3 receptor,adrenoceptor ¦Á2,D2 receptor

>  <Form> (478)
free base

>  <URL> (478)
http://www.selleckchem.com/products/piribedil.html

>  <CAS Number> (478)
3605-01-4

$$$$
S3662 Pirenzepine (dihydrochloride).cdx
csChFnd80/07261814072D

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M  END
>  <Mol_ID> (479)
3379

>  <Formula> (479)
C19H23Cl2N5O2

>  <MolWeight> (479)
424.32422

>  <Item Name> (479)
Pirenzepine dihydrochloride

>  <Catalog Number> (479)
S3662

>  <Synonyms> (479)
N/A

>  <Target> (479)
AChR

>  <Form> (479)
dihydrochloride

>  <URL> (479)
http://www.selleckchem.com/products/pirenzepine-dihydrochlori

>  <CAS Number> (479)
29868-97-1

$$$$
S3737 Cangrelor Tetrasodium.cdx
csChFnd80/07261814072D

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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (480)
3388

>  <Formula> (480)
C17H21Cl2F3N5Na4O12P3S2

>  <MolWeight> (480)
864.2865126

>  <Item Name> (480)
Cangrelor Tetrasodium

>  <Catalog Number> (480)
S3737

>  <Synonyms> (480)
AR-C69931MX

>  <Target> (480)
P2Y12 receptor

>  <Form> (480)
tetrasodium salt

>  <URL> (480)
http://www.selleckchem.com/products/cangrelor-tetrasodium.html

>  <CAS Number> (480)
163706-36-3

$$$$
S3718 Leuprolide Acetate.cdx
csChFnd80/07261814072D

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 83 85  1  0  0  0  0
 83 86  2  0  0  0  0
 84 87  1  0  0  0  0
 88 89  1  0  0  0  0
 88 90  1  0  0  0  0
 88 91  2  0  0  0  0
M  END
>  <Mol_ID> (481)
3394

>  <Formula> (481)
C61H88N16O14

>  <MolWeight> (481)
1269.45022

>  <Catalog Number> (481)
S3718

>  <Synonyms> (481)
Leuprorelin Acetate

>  <Target> (481)
GnRHR

>  <Form> (481)
acetate

>  <URL> (481)
http://www.selleckchem.com/products/leuprolide-acetate.html

>  <CAS Number> (481)
74381-53-6

$$$$
S3721 Bilastine.cdx
csChFnd80/07261814072D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.5408    2.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7678    1.4543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590    3.6934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4626    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7461    2.5864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0722    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3674    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0192    1.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8626    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5626    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5626    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  5  2  1  0  0  0  0
  4  3  1  0  0  0  0
 16  3  1  0  0  0  0
 22  4  1  0  0  0  0
  5  4  2  0  0  0  0
 23  5  1  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
 17  7  1  0  0  0  0
  7 15  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
  9 13  1  0  0  0  0
  9 12  2  0  0  0  0
 15 10  1  0  0  0  0
 14 11  1  0  0  0  0
 12 20  1  0  0  0  0
 13 19  2  0  0  0  0
 25 16  1  0  0  0  0
 21 17  1  0  0  0  0
 18 21  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 27 22  2  0  0  0  0
 28 23  2  0  0  0  0
 24 25  1  0  0  0  0
 26 24  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (482)
3397

>  <Formula> (482)
C28H37N3O3

>  <MolWeight> (482)
463.61168

>  <Item Name> (482)
Bilastine

>  <Catalog Number> (482)
S3721

>  <Synonyms> (482)
N/A

>  <Target> (482)
H1 receptor

>  <Form> (482)
free base

>  <URL> (482)
http://www.selleckchem.com/products/bilastine.html

>  <CAS Number> (482)
202189-78-4

$$$$
S3723 Ramosetron  Hydrochloride.cdx
csChFnd80/07261814072D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.7486    2.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0277    3.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230    3.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3024    1.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2402    2.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8973    4.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5301    4.7111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4485    3.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9350    0.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4478    3.0041    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2402    0.9013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9696    5.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6527    2.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4495    4.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8682    3.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650    5.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8743    4.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1977    2.5629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2077    4.8281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0256    3.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4273    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
 10  5  1  6  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (483)
3399

>  <Formula> (483)
C17H18ClN3O

>  <MolWeight> (483)
315.79732

>  <Item Name> (483)
Ramosetron Hydrochloride

>  <Catalog Number> (483)
S3723

>  <Synonyms> (483)
YM-060

>  <Target> (483)
5-HT3 receptor

>  <Form> (483)
hydrochloride

>  <URL> (483)
http://www.selleckchem.com/products/ramosetron-hydrochloride.html

>  <CAS Number> (483)
132907-72-3

$$$$
S3735 Umeclidinium bromide.cdx
csChFnd80/07261814072D

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.0286    4.7164    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7215    4.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6335    5.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    6.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3950    7.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9454    6.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2476    6.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1596    6.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9621    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3324    3.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3223    2.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6746    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6646    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0169    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0068    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6445    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2922    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3022    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365    7.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8515    4.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2061    9.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    9.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3365    8.3846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    2.0715    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
  7  8  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  9 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 13 18  2  0  0  0  0
 12 13  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  1  0  0  0  0
  1  9  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
 20 25  2  0  0  0  0
 19 20  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 31  2  0  0  0  0
 19 26  1  0  0  0  0
 19 32  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (484)
3401

>  <Formula> (484)
C29H34BrNO2

>  <MolWeight> (484)
508.48976

>  <Item Name> (484)
Umeclidinium bromide

>  <Catalog Number> (484)
S3735

>  <Synonyms> (484)
N/A

>  <Target> (484)
mAChR

>  <Form> (484)
bromide

>  <URL> (484)
http://www.selleckchem.com/products/umeclidinium-bromide.html

>  <CAS Number> (484)
869113-09-7

$$$$
S3706 Sarpogrelate hydrochloride.cdx
csChFnd80/07261814072D

 32 32  0  0  0  0  0  0  0  0999 V2000
   10.9123    2.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1314    2.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7103    2.8652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1314    4.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3507    2.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5348    2.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1314    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3244    4.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3507    0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2545    2.8652    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.5525    4.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0700    2.1859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2545    4.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7457    4.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5525    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    2.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4475    5.0077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9214    4.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7019    2.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9214    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1230    5.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    2.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3424    4.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  2  0  0  0  0
 19 26  1  0  0  0  0
 20 25  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (485)
3409

>  <Formula> (485)
C24H32ClNO6

>  <MolWeight> (485)
465.96698

>  <Item Name> (485)
Sarpogrelate hydrochloride

>  <Catalog Number> (485)
S3706

>  <Synonyms> (485)
MCI-9042

>  <Target> (485)
5-HT2A, 5-HT2C, 5-HT2B

>  <Form> (485)
hydrochloride

>  <URL> (485)
http://www.selleckchem.com/products/sarpogrelate-hydrochloride.html

>  <CAS Number> (485)
135159-51-2

$$$$
S3716 Flibanserin.cdx
csChFnd80/07261814072D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.4263    3.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4677    2.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    2.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8281    2.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072    1.3571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0015    3.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    5.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8180    1.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1677    2.1158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5536    3.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1402    1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9120    3.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4987    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8847    2.7931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2431    3.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6290    4.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2158    2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9873    4.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5740    2.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9600    3.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3731    6.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7189    5.7762    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7589    7.5078    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0273    6.5479    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 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
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (486)
3413

>  <Formula> (486)
C20H21F3N4O

>  <MolWeight> (486)
390.4021496

>  <Item Name> (486)
Flibanserin

>  <Catalog Number> (486)
S3716

>  <Synonyms> (486)
BIMT-17, BIMT-17-BS

>  <Target> (486)
5-HT1A receptor.D4 receptor,5-HT2A receptor

>  <Form> (486)
free base

>  <URL> (486)
http://www.selleckchem.com/products/flibanserin.html

>  <CAS Number> (486)
167933-07-5

$$$$
S3738 Travoprost.cdx
csChFnd80/07261814072D

 35 36  0  0  0  0  0  0  0  0999 V2000
    2.6979    7.7081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2386    6.3818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5798    8.5506    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0367    8.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8425    6.4087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0490    5.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    7.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041    9.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0607    7.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4390    5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3995    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2549    4.2213    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7143    8.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6363    4.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661    2.9373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0531    9.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4546    3.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3680   10.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8339    3.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7067   11.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6386    2.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4271    4.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0216   12.4835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7307   10.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0297    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8217    4.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3604   12.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6248    3.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8400    1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3843   11.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6752   14.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6503    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9780    1.9494    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6947    0.3288    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  6  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 27 29  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
M  END
>  <Mol_ID> (487)
3423

>  <Formula> (487)
C26H35F3O6

>  <MolWeight> (487)
500.5477096

>  <Item Name> (487)
Travoprost

>  <Catalog Number> (487)
S3738

>  <Synonyms> (487)
Travoprostum

>  <Target> (487)
 Prostaglandin F receptor

>  <Form> (487)
free base

>  <URL> (487)
http://www.selleckchem.com/products/travoprost.html

>  <CAS Number> (487)
157283-68-6

$$$$
S3748 Acamprosate Calcium.cdx
csChFnd80/07261814072D

 12 10  0  0  0  0  0  0  0  0999 V2000
    7.2632    1.3510    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0504    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4523    0.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4523    2.0503    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8279    1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6149    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4068    1.3510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701    3.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0140    1.2993    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
A   12
?0.5Ca2+?
M  END
>  <Mol_ID> (488)
3442

>  <Formula> (488)
C5H10NO4RS-

>  <MolWeight> (488)
180.2022

>  <Item Name> (488)
Acamprosate CalciuM

>  <Catalog Number> (488)
S3748

>  <Synonyms> (488)
N-Acetylhomotaurine Calcium, calcium acetylhomotaurinate

>  <Target> (488)
GABA Receptor

>  <Form> (488)
calcium salt

>  <URL> (488)
http://www.selleckchem.com/products/acamprosate-calcium.html

>  <CAS Number> (488)
77337-73-6

$$$$
S3840 Baohuoside I.cdx
csChFnd80/07261814072D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 29 34  1  1  0  0  0
 32 35  1  1  0  0  0
 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (489)
3523

>  <Formula> (489)
C27H30O10

>  <MolWeight> (489)
514.5211

>  <Item Name> (489)
Baohuoside I

>  <Catalog Number> (489)
S3840

>  <Synonyms> (489)
Icariside II

>  <Target> (489)
ROS

>  <URL> (489)
http://www.selleckchem.com/products/baohuoside-i.html

>  <CAS Number> (489)
113558-15-9

$$$$
S3968 Histamine.cdx
csChFnd80/07261814072D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (490)
3528

>  <Formula> (490)
C5H9N3

>  <MolWeight> (490)
111.14506

>  <Item Name> (490)
Histamine

>  <Catalog Number> (490)
S3968

>  <Synonyms> (490)
N/A

>  <Target> (490)
Histamine receptor

>  <Form> (490)
free base

>  <URL> (490)
http://www.selleckchem.com/products/histamine.html

>  <CAS Number> (490)
51-45-6

$$$$
S3868 Harmine.cdx
csChFnd80/07261814072D

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.3186    2.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9463    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0313    1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0112    3.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8022    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238    2.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0983    0.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4312    1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4198    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5527    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5494    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1355    2.4085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087    0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1357    0.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (491)
3676

>  <Formula> (491)
C13H12N2O

>  <MolWeight> (491)
212.24718

>  <Item Name> (491)
Harmine

>  <Catalog Number> (491)
S3868

>  <Synonyms> (491)
telepathine

>  <Target> (491)
PPAR¦Ã,MAO-A

>  <Form> (491)
free base

>  <URL> (491)
http://www.selleckchem.com/products/harmine.html

>  <CAS Number> (491)
442-51-3

$$$$
S3869 Methyl protocatechuate.cdx
csChFnd80/07261814072D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6226    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    2.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    2.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0450    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203    2.7972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2636    2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (492)
3677

>  <Formula> (492)
C8H8O4

>  <MolWeight> (492)
168.14672

>  <Item Name> (492)
Methyl protocatechuate

>  <Catalog Number> (492)
S3869

>  <Synonyms> (492)
Methyl 3,4-dihydroxybenzoate; 3,4-Dihydroxybenzoic acid methyl ester

>  <Target> (492)
Others

>  <Form> (492)
free base

>  <URL> (492)
http://www.selleckchem.com/products/methyl-protocatechuate.html

>  <CAS Number> (492)
2150-43-8

$$$$
S4775 Cortodoxone.cdx
csChFnd80/07261814072D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.3181    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1062    2.1177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3181    4.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6509    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1201    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6509    4.6391    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0784    4.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4495    3.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    2.1177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8756    4.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    5.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0347    4.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    2.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    3.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5873    6.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3861    7.0444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4185    4.9456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    1.4186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1062    3.5177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3181    1.4186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3181    5.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  6  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
  5 25  1  6  0  0  0
  2 26  1  1  0  0  0
  1 27  1  6  0  0  0
  3 28  1  1  0  0  0
M  END
>  <Mol_ID> (493)
3750

>  <Formula> (493)
C21H30O4

>  <MolWeight> (493)
346.4605

>  <Item Name> (493)
Cortodoxone

>  <Catalog Number> (493)
S4775

>  <Synonyms> (493)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (493)
Glucocorticoid Receptor

>  <Form> (493)
free base

>  <URL> (493)
http://www.selleckchem.com/products/cortodoxone.html

>  <CAS Number> (493)
152-58-9

$$$$
S4817 Atenolol.cdx
csChFnd80/07261814072D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7024    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
    4.8540    2.8098    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
    6.0706    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 O   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  3  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 N   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
   14.5577    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
  8 10  2  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
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (494)
3837

>  <Formula> (494)
C14H22N2O3

>  <MolWeight> (494)
266.33608

>  <Item Name> (494)
Atenolol

>  <Catalog Number> (494)
S4817

>  <Synonyms> (494)
Tenormin, Normiten, Blokium

>  <Target> (494)
¦Â1 receptor,¦Â2 receptor

>  <Form> (494)
free base

>  <URL> (494)
http://www.selleckchem.com/products/atenolol.html

>  <CAS Number> (494)
29122-68-7

$$$$
S4834 Propantheline bromide.cdx
csChFnd80/07261814072D

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.6285    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4028    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8353    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6285    4.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4028    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8353    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146    4.9016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6266    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    6.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0516    7.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0516    8.4008    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6515    8.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4515    8.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0516    9.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9515    7.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9515    9.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1515    9.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1515    7.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8603    7.0402    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
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <Mol_ID> (495)
3900

>  <Formula> (495)
C23H30BrNO3

>  <MolWeight> (495)
448.3932

>  <Item Name> (495)
Propantheline bromide

>  <Catalog Number> (495)
S4834

>  <Synonyms> (495)
Pro-Banthine, Neometantyl, Neopepulsan

>  <Target> (495)
AChR

>  <Form> (495)
bromide 

>  <URL> (495)
http://selleckchem.com/products/propantheline-bromide.html

>  <CAS Number> (495)
50-34-0

$$$$
S5018 Mebhydrolin napadisylate.cdx
csChFnd80/07261814072D

 60 67  0  0  0  0  0  0  0  0999 V2000
    3.6275   13.9324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369   14.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183   14.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275   12.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369   15.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460   13.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183   15.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2091   13.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8399   11.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460   16.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552   14.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2091   16.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0766   12.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8436   10.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2540   15.9959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3222   11.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0766    9.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4664   16.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3039   10.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6312    9.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6312    7.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8554    9.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3945    9.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3967    7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8587    7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1138    9.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8554   11.2878    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1394    9.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1394    7.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3967    5.6571    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.1138    7.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8554   12.6878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2521   11.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4521   11.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3967    4.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7989    5.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9989    5.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    4.2344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369    4.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183    4.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    2.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369    6.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460    4.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183    6.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2091    4.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8399    2.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460    6.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552    4.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2091    6.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0766    2.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8436    0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2540    6.2980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3222    2.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0766    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4664    6.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3039    0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  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
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  2  0  0  0  0
 26 31  2  0  0  0  0
 26 32  1  0  0  0  0
 27 33  1  0  0  0  0
 28 33  2  0  0  0  0
 29 34  1  0  0  0  0
 29 35  2  0  0  0  0
 29 36  2  0  0  0  0
 30 31  1  0  0  0  0
 32 37  1  0  0  0  0
 32 38  2  0  0  0  0
 32 39  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
 41 44  2  0  0  0  0
 41 45  1  0  0  0  0
 42 46  2  0  0  0  0
 42 47  1  0  0  0  0
 43 48  1  0  0  0  0
 44 46  1  0  0  0  0
 44 49  1  0  0  0  0
 45 50  1  0  0  0  0
 46 51  1  0  0  0  0
 47 52  2  0  0  0  0
 48 53  1  0  0  0  0
 48 54  2  0  0  0  0
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 51 56  2  0  0  0  0
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 55 59  1  0  0  0  0
 57 60  1  0  0  0  0
 58 60  2  0  0  0  0
M  END
>  <Mol_ID> (496)
4039

>  <Formula> (496)
C48H48N4O6S2

>  <MolWeight> (496)
841.04792

>  <Item Name> (496)
Mebhydrolin napadisylate

>  <Catalog Number> (496)
S5018

>  <Synonyms> (496)
Diazoline, Diazolin, Incidal, Omeril

>  <Target> (496)
Histamine Receptor

>  <Form> (496)
salt

>  <URL> (496)
http://selleckchem.com/products/mebhydrolin-napadisylate.html

>  <CAS Number> (496)
6153-33-9

$$$$
Sodium valproate.cdx
csChFnd80/07261814072D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (497)
4062

>  <Formula> (497)
C8H15NaO2

>  <MolWeight> (497)
166.19327

>  <Item Name> (497)
Valproic acid sodium salt (Sodium valproate)

>  <Catalog Number> (497)
S1168

>  <Synonyms> (497)
N/A 

>  <Target> (497)
GABA Receptor, HDAC

>  <URL> (497)
http://www.selleckchem.com/products/Sodium-valproate.html

>  <CAS Number> (497)
1069-66-5, 99-66-1 (FREE BASE)

$$$$
